{"getLindsByPDBsResponse":{"affinities":[{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"50236369","smile":"C[C@@H](Oc1cccc2ncnc(Nc3ccc4n(Cc5nccs5)ncc4c3)c12)C(=O)N1CCOCC1","affinity_type":"Ki","affinity":"2.7","pmid":"18313293","doi":"10.1016/j.bmcl.2008.02.035"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"5445","smile":"CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1","affinity_type":"IC50","affinity":"9","pmid":"14684309","doi":"10.1016/j.bmcl.2003.10.010"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"5459","smile":"CS(=O)(=O)CCNCCCCOc1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1","affinity_type":"IC50","affinity":"10","pmid":"12639547","doi":"10.1016/s0960-894x(02)01047-8"},{"query":"Receptor tyrosine-protein kinase 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erbB-2","monomerid":"304242","smile":"C=C1C[C@H]2C=Nc3cc(OCCCC(=O)Nc4cn(C)c(C(=O)Nc5cc(C(=O)Nc6cc(C(=O)n7ccc8cc(SC)ccc87)n(C)c6)n(C)c5)n4)c(OC)cc3C(=O)N2C1","affinity_type":"IC50","affinity":"0.200","pmid":"","doi":"10.7270/Q2ZC84ZB"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"304242","smile":"C=C1C[C@H]2C=Nc3cc(OCCCC(=O)Nc4cn(C)c(C(=O)Nc5cc(C(=O)Nc6cc(C(=O)n7ccc8cc(SC)ccc87)n(C)c6)n(C)c5)n4)c(OC)cc3C(=O)N2C1","affinity_type":"IC50","affinity":"0.350","pmid":"","doi":"10.7270/Q2ZC84ZB"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"304242","smile":"C=C1C[C@H]2C=Nc3cc(OCCCC(=O)Nc4cn(C)c(C(=O)Nc5cc(C(=O)Nc6cc(C(=O)n7ccc8cc(SC)ccc87)n(C)c6)n(C)c5)n4)c(OC)cc3C(=O)N2C1","affinity_type":"IC50","affinity":"1.34","pmid":"","doi":"10.7270/Q2ZC84ZB"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"304242","smile":"C=C1C[C@H]2C=Nc3cc(OCCCC(=O)Nc4cn(C)c(C(=O)Nc5cc(C(=O)Nc6cc(C(=O)n7ccc8cc(SC)ccc87)n(C)c6)n(C)c5)n4)c(OC)cc3C(=O)N2C1","affinity_type":"IC50","affinity":"2.10","pmid":"","doi":"10.7270/Q2ZC84ZB"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"304243","smile":"C=C1C[C@H]2C=Nc3cc(OCCCC(=O)Nc4cn(C)c(C(=O)Nc5cc(C(=O)Nc6cc(C(=O)n7ccc8cc(S(C)(=O)=O)ccc87)n(C)c6)n(C)c5)n4)c(OC)cc3C(=O)N2C1","affinity_type":"IC50","affinity":"5.50","pmid":"","doi":"10.7270/Q2ZC84ZB"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"304244","smile":"C=C1C[C@H]2C=Nc3cc(OCCCC(=O)Nc4cn(C)c(C(=O)Nc5cc(C(=O)Nc6cc(C(=O)n7ccc8c(N)cccc87)n(C)c6)n(C)c5)n4)c(OC)cc3C(=O)N2C1","affinity_type":"IC50","affinity":"4.00","pmid":"","doi":"10.7270/Q2ZC84ZB"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"304244","smile":"C=C1C[C@H]2C=Nc3cc(OCCCC(=O)Nc4cn(C)c(C(=O)Nc5cc(C(=O)Nc6cc(C(=O)n7ccc8c(N)cccc87)n(C)c6)n(C)c5)n4)c(OC)cc3C(=O)N2C1","affinity_type":"IC50","affinity":"0.670","pmid":"","doi":"10.7270/Q2ZC84ZB"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"304244","smile":"C=C1C[C@H]2C=Nc3cc(OCCCC(=O)Nc4cn(C)c(C(=O)Nc5cc(C(=O)Nc6cc(C(=O)n7ccc8c(N)cccc87)n(C)c6)n(C)c5)n4)c(OC)cc3C(=O)N2C1","affinity_type":"IC50","affinity":"1.50","pmid":"","doi":"10.7270/Q2ZC84ZB"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"304245","smile":"C=C1C[C@H]2C=Nc3cc(OCCCC(=O)Nc4cn(C)c(C(=O)Nc5cc(C(=O)Nc6cc(C(=O)n7ncc8ccc(N)cc87)n(C)c6)n(C)c5)n4)c(OC)cc3C(=O)N2C1","affinity_type":"IC50","affinity":"2.90","pmid":"","doi":"10.7270/Q2ZC84ZB"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"304245","smile":"C=C1C[C@H]2C=Nc3cc(OCCCC(=O)Nc4cn(C)c(C(=O)Nc5cc(C(=O)Nc6cc(C(=O)n7ncc8ccc(N)cc87)n(C)c6)n(C)c5)n4)c(OC)cc3C(=O)N2C1","affinity_type":"IC50","affinity":"0.160","pmid":"","doi":"10.7270/Q2ZC84ZB"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"304245","smile":"C=C1C[C@H]2C=Nc3cc(OCCCC(=O)Nc4cn(C)c(C(=O)Nc5cc(C(=O)Nc6cc(C(=O)n7ncc8ccc(N)cc87)n(C)c6)n(C)c5)n4)c(OC)cc3C(=O)N2C1","affinity_type":"IC50","affinity":"1.02","pmid":"","doi":"10.7270/Q2ZC84ZB"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"304245","smile":"C=C1C[C@H]2C=Nc3cc(OCCCC(=O)Nc4cn(C)c(C(=O)Nc5cc(C(=O)Nc6cc(C(=O)n7ncc8ccc(N)cc87)n(C)c6)n(C)c5)n4)c(OC)cc3C(=O)N2C1","affinity_type":"IC50","affinity":"0.600","pmid":"","doi":"10.7270/Q2ZC84ZB"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"304245","smile":"C=C1C[C@H]2C=Nc3cc(OCCCC(=O)Nc4cn(C)c(C(=O)Nc5cc(C(=O)Nc6cc(C(=O)n7ncc8ccc(N)cc87)n(C)c6)n(C)c5)n4)c(OC)cc3C(=O)N2C1","affinity_type":"IC50","affinity":"2.60","pmid":"","doi":"10.7270/Q2ZC84ZB"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"304246","smile":"C=C1C[C@H]2C=Nc3cc(OCCCC(=O)Nc4cn(C)c(C(=O)Nc5cc(C(=O)Nc6cc(C(=O)n7ccc8ccc(N)cc87)n(C)c6)n(C)c5)n4)c(OC)cc3C(=O)N2C1","affinity_type":"IC50","affinity":"2.50","pmid":"","doi":"10.7270/Q2ZC84ZB"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"304246","smile":"C=C1C[C@H]2C=Nc3cc(OCCCC(=O)Nc4cn(C)c(C(=O)Nc5cc(C(=O)Nc6cc(C(=O)n7ccc8ccc(N)cc87)n(C)c6)n(C)c5)n4)c(OC)cc3C(=O)N2C1","affinity_type":"IC50","affinity":"0.280","pmid":"","doi":"10.7270/Q2ZC84ZB"},{"query":"Receptor tyrosine-protein kinase 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erbB-2","monomerid":"304247","smile":"C=C1C[C@H]2C=Nc3cc(OCCCC(=O)Nc4nc(C(=O)Nc5cc(C(=O)Nc6cc(C(=O)n7ccc8cc(N)ccc87)n(C)c6)n(C)c5)cs4)c(OC)cc3C(=O)N2C1","affinity_type":"IC50","affinity":"4.00","pmid":"","doi":"10.7270/Q2ZC84ZB"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"304247","smile":"C=C1C[C@H]2C=Nc3cc(OCCCC(=O)Nc4nc(C(=O)Nc5cc(C(=O)Nc6cc(C(=O)n7ccc8cc(N)ccc87)n(C)c6)n(C)c5)cs4)c(OC)cc3C(=O)N2C1","affinity_type":"IC50","affinity":"0.300","pmid":"","doi":"10.7270/Q2ZC84ZB"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"304247","smile":"C=C1C[C@H]2C=Nc3cc(OCCCC(=O)Nc4nc(C(=O)Nc5cc(C(=O)Nc6cc(C(=O)n7ccc8cc(N)ccc87)n(C)c6)n(C)c5)cs4)c(OC)cc3C(=O)N2C1","affinity_type":"IC50","affinity":"0.700","pmid":"","doi":"10.7270/Q2ZC84ZB"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"304247","smile":"C=C1C[C@H]2C=Nc3cc(OCCCC(=O)Nc4nc(C(=O)Nc5cc(C(=O)Nc6cc(C(=O)n7ccc8cc(N)ccc87)n(C)c6)n(C)c5)cs4)c(OC)cc3C(=O)N2C1","affinity_type":"IC50","affinity":"4.50","pmid":"","doi":"10.7270/Q2ZC84ZB"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"304247","smile":"C=C1C[C@H]2C=Nc3cc(OCCCC(=O)Nc4nc(C(=O)Nc5cc(C(=O)Nc6cc(C(=O)n7ccc8cc(N)ccc87)n(C)c6)n(C)c5)cs4)c(OC)cc3C(=O)N2C1","affinity_type":"IC50","affinity":"7.60","pmid":"","doi":"10.7270/Q2ZC84ZB"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"304249","smile":"C=C1C[C@@H]2C=Nc3cc(OCCCC(=O)Nc4cc(C(=O)Nc5cc(C(=O)Nc6cc(C(=O)NCCCO)n(C)c6)n(C)c5)n(C)c4)c(OC)cc3C(=O)N2C1","affinity_type":"IC50","affinity":"7.50","pmid":"","doi":"10.7270/Q2ZC84ZB"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"304249","smile":"C=C1C[C@@H]2C=Nc3cc(OCCCC(=O)Nc4cc(C(=O)Nc5cc(C(=O)Nc6cc(C(=O)NCCCO)n(C)c6)n(C)c5)n(C)c4)c(OC)cc3C(=O)N2C1","affinity_type":"IC50","affinity":"2.50","pmid":"","doi":"10.7270/Q2ZC84ZB"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"304249","smile":"C=C1C[C@@H]2C=Nc3cc(OCCCC(=O)Nc4cc(C(=O)Nc5cc(C(=O)Nc6cc(C(=O)NCCCO)n(C)c6)n(C)c5)n(C)c4)c(OC)cc3C(=O)N2C1","affinity_type":"IC50","affinity":"5.00","pmid":"","doi":"10.7270/Q2ZC84ZB"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"304249","smile":"C=C1C[C@@H]2C=Nc3cc(OCCCC(=O)Nc4cc(C(=O)Nc5cc(C(=O)Nc6cc(C(=O)NCCCO)n(C)c6)n(C)c5)n(C)c4)c(OC)cc3C(=O)N2C1","affinity_type":"IC50","affinity":"2.00","pmid":"","doi":"10.7270/Q2ZC84ZB"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"304250","smile":"C=C1C[C@@H]2C=Nc3cc(OCCCC(=O)Nc4cn(C)c(C(=O)Nc5cc(C(=O)Nc6cc(C(=O)NCCCO)n(C)c6)n(C)c5)n4)c(OC)cc3C(=O)N2C1","affinity_type":"IC50","affinity":"7.90","pmid":"","doi":"10.7270/Q2ZC84ZB"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"304250","smile":"C=C1C[C@@H]2C=Nc3cc(OCCCC(=O)Nc4cn(C)c(C(=O)Nc5cc(C(=O)Nc6cc(C(=O)NCCCO)n(C)c6)n(C)c5)n4)c(OC)cc3C(=O)N2C1","affinity_type":"IC50","affinity":"9.00","pmid":"","doi":"10.7270/Q2ZC84ZB"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"304252","smile":"COc1cc2c(cc1OCCCC(=O)Nc1cc(C(=O)Nc3cc(C(=O)Nc4cc(C(=O)NCCCO)n(C)c4)n(C)c3)n(C)c1)N=C[C@@H]1Cc3ccccc3N1C2=O","affinity_type":"IC50","affinity":"4.70","pmid":"","doi":"10.7270/Q2ZC84ZB"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"304252","smile":"COc1cc2c(cc1OCCCC(=O)Nc1cc(C(=O)Nc3cc(C(=O)Nc4cc(C(=O)NCCCO)n(C)c4)n(C)c3)n(C)c1)N=C[C@@H]1Cc3ccccc3N1C2=O","affinity_type":"IC50","affinity":"1.50","pmid":"","doi":"10.7270/Q2ZC84ZB"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"304252","smile":"COc1cc2c(cc1OCCCC(=O)Nc1cc(C(=O)Nc3cc(C(=O)Nc4cc(C(=O)NCCCO)n(C)c4)n(C)c3)n(C)c1)N=C[C@@H]1Cc3ccccc3N1C2=O","affinity_type":"IC50","affinity":"3.00","pmid":"","doi":"10.7270/Q2ZC84ZB"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"304252","smile":"COc1cc2c(cc1OCCCC(=O)Nc1cc(C(=O)Nc3cc(C(=O)Nc4cc(C(=O)NCCCO)n(C)c4)n(C)c3)n(C)c1)N=C[C@@H]1Cc3ccccc3N1C2=O","affinity_type":"IC50","affinity":"1.50","pmid":"","doi":"10.7270/Q2ZC84ZB"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"304253","smile":"C=C1C[C@H]2C=Nc3cc(OCCCC(=O)Nc4cn(C)c(C(=O)Nc5cc(C(=O)Nc6cc(C(=O)N7CCc8cc(N)ccc87)n(C)c6)n(C)c5)n4)c(OC)cc3C(=O)N2C1","affinity_type":"IC50","affinity":"1.40","pmid":"","doi":"10.7270/Q2ZC84ZB"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"304253","smile":"C=C1C[C@H]2C=Nc3cc(OCCCC(=O)Nc4cn(C)c(C(=O)Nc5cc(C(=O)Nc6cc(C(=O)N7CCc8cc(N)ccc87)n(C)c6)n(C)c5)n4)c(OC)cc3C(=O)N2C1","affinity_type":"IC50","affinity":"6.40","pmid":"","doi":"10.7270/Q2ZC84ZB"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"304253","smile":"C=C1C[C@H]2C=Nc3cc(OCCCC(=O)Nc4cn(C)c(C(=O)Nc5cc(C(=O)Nc6cc(C(=O)N7CCc8cc(N)ccc87)n(C)c6)n(C)c5)n4)c(OC)cc3C(=O)N2C1","affinity_type":"IC50","affinity":"8.60","pmid":"","doi":"10.7270/Q2ZC84ZB"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"304254","smile":"COc1cc2c(cc1OCCCC(=O)Nc1cn(C)c(C(=O)Nc3cc(C(=O)Nc4cc(C(=O)n5ccc6cc(N)ccc65)n(C)c4)n(C)c3)n1)N=C[C@@H]1Cc3ccccc3N1C2=O","affinity_type":"IC50","affinity":"0.630","pmid":"","doi":"10.7270/Q2ZC84ZB"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"304254","smile":"COc1cc2c(cc1OCCCC(=O)Nc1cn(C)c(C(=O)Nc3cc(C(=O)Nc4cc(C(=O)n5ccc6cc(N)ccc65)n(C)c4)n(C)c3)n1)N=C[C@@H]1Cc3ccccc3N1C2=O","affinity_type":"IC50","affinity":"0.060","pmid":"","doi":"10.7270/Q2ZC84ZB"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"304254","smile":"COc1cc2c(cc1OCCCC(=O)Nc1cn(C)c(C(=O)Nc3cc(C(=O)Nc4cc(C(=O)n5ccc6cc(N)ccc65)n(C)c4)n(C)c3)n1)N=C[C@@H]1Cc3ccccc3N1C2=O","affinity_type":"IC50","affinity":"0.290","pmid":"","doi":"10.7270/Q2ZC84ZB"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"304254","smile":"COc1cc2c(cc1OCCCC(=O)Nc1cn(C)c(C(=O)Nc3cc(C(=O)Nc4cc(C(=O)n5ccc6cc(N)ccc65)n(C)c4)n(C)c3)n1)N=C[C@@H]1Cc3ccccc3N1C2=O","affinity_type":"IC50","affinity":"1.10","pmid":"","doi":"10.7270/Q2ZC84ZB"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"304254","smile":"COc1cc2c(cc1OCCCC(=O)Nc1cn(C)c(C(=O)Nc3cc(C(=O)Nc4cc(C(=O)n5ccc6cc(N)ccc65)n(C)c4)n(C)c3)n1)N=C[C@@H]1Cc3ccccc3N1C2=O","affinity_type":"IC50","affinity":"1.90","pmid":"","doi":"10.7270/Q2ZC84ZB"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"304255","smile":"C=C1C[C@H]2C=Nc3cc(OCCCC(=O)Nc4cn(C)c(C(=O)Nc5cc(C(=O)Nc6cc(C(=O)n7ncc8cc(N)ccc87)n(C)c6)n(C)c5)n4)c(OC)cc3C(=O)N2C1","affinity_type":"IC50","affinity":"0.660","pmid":"","doi":"10.7270/Q2ZC84ZB"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"304255","smile":"C=C1C[C@H]2C=Nc3cc(OCCCC(=O)Nc4cn(C)c(C(=O)Nc5cc(C(=O)Nc6cc(C(=O)n7ncc8cc(N)ccc87)n(C)c6)n(C)c5)n4)c(OC)cc3C(=O)N2C1","affinity_type":"IC50","affinity":"0.090","pmid":"","doi":"10.7270/Q2ZC84ZB"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"304255","smile":"C=C1C[C@H]2C=Nc3cc(OCCCC(=O)Nc4cn(C)c(C(=O)Nc5cc(C(=O)Nc6cc(C(=O)n7ncc8cc(N)ccc87)n(C)c6)n(C)c5)n4)c(OC)cc3C(=O)N2C1","affinity_type":"IC50","affinity":"0.310","pmid":"","doi":"10.7270/Q2ZC84ZB"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"304255","smile":"C=C1C[C@H]2C=Nc3cc(OCCCC(=O)Nc4cn(C)c(C(=O)Nc5cc(C(=O)Nc6cc(C(=O)n7ncc8cc(N)ccc87)n(C)c6)n(C)c5)n4)c(OC)cc3C(=O)N2C1","affinity_type":"IC50","affinity":"2.10","pmid":"","doi":"10.7270/Q2ZC84ZB"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"304255","smile":"C=C1C[C@H]2C=Nc3cc(OCCCC(=O)Nc4cn(C)c(C(=O)Nc5cc(C(=O)Nc6cc(C(=O)n7ncc8cc(N)ccc87)n(C)c6)n(C)c5)n4)c(OC)cc3C(=O)N2C1","affinity_type":"IC50","affinity":"2.60","pmid":"","doi":"10.7270/Q2ZC84ZB"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"304256","smile":"C=C1C[C@H]2C=Nc3cc(OCCCC(=O)Nc4cn(C)c(C(=O)Nc5cc(C(=O)Nc6ccc7[nH]ccc7c6)n(C)c5)n4)c(OC)cc3C(=O)N2C1","affinity_type":"IC50","affinity":"3.60","pmid":"","doi":"10.7270/Q2ZC84ZB"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"304256","smile":"C=C1C[C@H]2C=Nc3cc(OCCCC(=O)Nc4cn(C)c(C(=O)Nc5cc(C(=O)Nc6ccc7[nH]ccc7c6)n(C)c5)n4)c(OC)cc3C(=O)N2C1","affinity_type":"IC50","affinity":"7.90","pmid":"","doi":"10.7270/Q2ZC84ZB"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"304257","smile":"C=C1C[C@H]2C=Nc3cc(OCCCC(=O)Nc4cn(C)c(C(=O)Nc5cc(C(=O)Nc6cc(C(=O)n7ccc8cc(CN)ccc87)n(C)c6)n(C)c5)n4)c(OC)cc3C(=O)N2C1","affinity_type":"IC50","affinity":"2.50","pmid":"","doi":"10.7270/Q2ZC84ZB"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"304257","smile":"C=C1C[C@H]2C=Nc3cc(OCCCC(=O)Nc4cn(C)c(C(=O)Nc5cc(C(=O)Nc6cc(C(=O)n7ccc8cc(CN)ccc87)n(C)c6)n(C)c5)n4)c(OC)cc3C(=O)N2C1","affinity_type":"IC50","affinity":"0.180","pmid":"","doi":"10.7270/Q2ZC84ZB"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"304257","smile":"C=C1C[C@H]2C=Nc3cc(OCCCC(=O)Nc4cn(C)c(C(=O)Nc5cc(C(=O)Nc6cc(C(=O)n7ccc8cc(CN)ccc87)n(C)c6)n(C)c5)n4)c(OC)cc3C(=O)N2C1","affinity_type":"IC50","affinity":"0.810","pmid":"","doi":"10.7270/Q2ZC84ZB"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"304257","smile":"C=C1C[C@H]2C=Nc3cc(OCCCC(=O)Nc4cn(C)c(C(=O)Nc5cc(C(=O)Nc6cc(C(=O)n7ccc8cc(CN)ccc87)n(C)c6)n(C)c5)n4)c(OC)cc3C(=O)N2C1","affinity_type":"IC50","affinity":"1.20","pmid":"","doi":"10.7270/Q2ZC84ZB"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"304257","smile":"C=C1C[C@H]2C=Nc3cc(OCCCC(=O)Nc4cn(C)c(C(=O)Nc5cc(C(=O)Nc6cc(C(=O)n7ccc8cc(CN)ccc87)n(C)c6)n(C)c5)n4)c(OC)cc3C(=O)N2C1","affinity_type":"IC50","affinity":"2.40","pmid":"","doi":"10.7270/Q2ZC84ZB"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"304258","smile":"C=C1C[C@H]2C=Nc3cc(OCCCC(=O)Nc4cn(C)c(C(=O)Nc5cc(C(=O)Nc6cnc7[nH]ccc7c6)n(C)c5)n4)c(O)cc3C(=O)N2C1","affinity_type":"IC50","affinity":"5.40","pmid":"","doi":"10.7270/Q2ZC84ZB"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"304258","smile":"C=C1C[C@H]2C=Nc3cc(OCCCC(=O)Nc4cn(C)c(C(=O)Nc5cc(C(=O)Nc6cnc7[nH]ccc7c6)n(C)c5)n4)c(O)cc3C(=O)N2C1","affinity_type":"IC50","affinity":"0.660","pmid":"","doi":"10.7270/Q2ZC84ZB"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"304258","smile":"C=C1C[C@H]2C=Nc3cc(OCCCC(=O)Nc4cn(C)c(C(=O)Nc5cc(C(=O)Nc6cnc7[nH]ccc7c6)n(C)c5)n4)c(O)cc3C(=O)N2C1","affinity_type":"IC50","affinity":"1.50","pmid":"","doi":"10.7270/Q2ZC84ZB"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"304258","smile":"C=C1C[C@H]2C=Nc3cc(OCCCC(=O)Nc4cn(C)c(C(=O)Nc5cc(C(=O)Nc6cnc7[nH]ccc7c6)n(C)c5)n4)c(O)cc3C(=O)N2C1","affinity_type":"IC50","affinity":"3.60","pmid":"","doi":"10.7270/Q2ZC84ZB"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"304258","smile":"C=C1C[C@H]2C=Nc3cc(OCCCC(=O)Nc4cn(C)c(C(=O)Nc5cc(C(=O)Nc6cnc7[nH]ccc7c6)n(C)c5)n4)c(O)cc3C(=O)N2C1","affinity_type":"IC50","affinity":"3.80","pmid":"","doi":"10.7270/Q2ZC84ZB"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"304259","smile":"C=C1C[C@H]2C=Nc3cc(OCCCC(=O)Nc4cn(C)c(C(=O)Nc5cc(C(=O)Nc6cc(C(=O)n7ccc8cc(C(=O)OC)cnc87)n(C)c6)n(C)c5)n4)c(OC)cc3C(=O)N2C1","affinity_type":"IC50","affinity":"6.30","pmid":"","doi":"10.7270/Q2ZC84ZB"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"304259","smile":"C=C1C[C@H]2C=Nc3cc(OCCCC(=O)Nc4cn(C)c(C(=O)Nc5cc(C(=O)Nc6cc(C(=O)n7ccc8cc(C(=O)OC)cnc87)n(C)c6)n(C)c5)n4)c(OC)cc3C(=O)N2C1","affinity_type":"IC50","affinity":"0.580","pmid":"","doi":"10.7270/Q2ZC84ZB"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"304259","smile":"C=C1C[C@H]2C=Nc3cc(OCCCC(=O)Nc4cn(C)c(C(=O)Nc5cc(C(=O)Nc6cc(C(=O)n7ccc8cc(C(=O)OC)cnc87)n(C)c6)n(C)c5)n4)c(OC)cc3C(=O)N2C1","affinity_type":"IC50","affinity":"0.970","pmid":"","doi":"10.7270/Q2ZC84ZB"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"304259","smile":"C=C1C[C@H]2C=Nc3cc(OCCCC(=O)Nc4cn(C)c(C(=O)Nc5cc(C(=O)Nc6cc(C(=O)n7ccc8cc(C(=O)OC)cnc87)n(C)c6)n(C)c5)n4)c(OC)cc3C(=O)N2C1","affinity_type":"IC50","affinity":"8.00","pmid":"","doi":"10.7270/Q2ZC84ZB"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"332542","smile":"CCOCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1NC(=O)\\C=C\\CN(C)C","affinity_type":"IC50","affinity":"3.63","pmid":"","doi":"10.7270/Q2GH9M2W"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"5446","smile":"COCCOc1cc2c(cc1OCCOC)ncnc2Nc3cccc(c3)C#C","affinity_type":"IC50","affinity":"7.60","pmid":"","doi":"10.7270/Q21C200G"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"5445","smile":"CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1","affinity_type":"IC50","affinity":"7.60","pmid":"","doi":"10.7270/Q21C200G"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"4779","smile":"C=CC(=O)Nc1cc2c(cc1OCCCN3CCOCC3)ncnc2Nc4ccc(c(c4)Cl)F","affinity_type":"IC50","affinity":"7.60","pmid":"","doi":"10.7270/Q21C200G"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"333446","smile":"CN1CCC2(CC(COc3cc4ncnc(Nc5ccc(F)c(Cl)c5)c4cc3NC(=O)C=C)CO2)CC1","affinity_type":"IC50","affinity":"7.10","pmid":"","doi":"10.7270/Q21C200G"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"333447","smile":"CN1CCC2(CCC(COc3cc4ncnc(Nc5ccc(F)c(Cl)c5)c4cc3NC(=O)C=C)O2)CC1","affinity_type":"IC50","affinity":"4.30","pmid":"","doi":"10.7270/Q21C200G"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"333448","smile":"CN1C[C@H]2[C@H](CCOc3cc4ncnc(Nc5ccc(F)c(Cl)c5)c4cc3NC(=O)C=C)[C@H]2C1","affinity_type":"IC50","affinity":"6.50","pmid":"","doi":"10.7270/Q21C200G"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"333465","smile":"CN1CCC2(CC2CCOc2cc3ncnc(Nc4ccc(F)c(Cl)c4)c3cc2NC(=O)C=C)CC1","affinity_type":"IC50","affinity":"2.60","pmid":"","doi":"10.7270/Q21C200G"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"333466","smile":"CN1CCC2(CC(COc3cc4ncnc(Nc5ccc(F)c(Cl)c5)c4cc3NC(=O)C=C)C2)CC1","affinity_type":"IC50","affinity":"6.50","pmid":"","doi":"10.7270/Q21C200G"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"333467","smile":"CN1CCC2(CC(CCOc3cc4ncnc(Nc5ccc(F)c(Cl)c5)c4cc3NC(=O)C=C)C2)CC1","affinity_type":"IC50","affinity":"3.10","pmid":"","doi":"10.7270/Q21C200G"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"376907","smile":"CN(C)C(=O)Cc1cc(C)c(NC(=O)c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)cc1Br","affinity_type":"IC50","affinity":"10","pmid":"","doi":"10.7270/Q2BR8VHD"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"376908","smile":"CN(C)C(=O)Cc1cc(Cl)c(NC(=O)c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)cc1C","affinity_type":"IC50","affinity":"8.30","pmid":"","doi":"10.7270/Q2BR8VHD"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"376909","smile":"CN(C)C(=O)Cc1ccc(NC(=O)c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)c(Cl)c1C","affinity_type":"IC50","affinity":"7.10","pmid":"","doi":"10.7270/Q2BR8VHD"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"376912","smile":"CN(C)C(=O)Cc1ccc(NC(=O)c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)c(Cl)c1","affinity_type":"IC50","affinity":"4.00","pmid":"","doi":"10.7270/Q2BR8VHD"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"376913","smile":"COc1cc(CC(=O)N(C)C)ccc1NC(=O)c1nn([C@@H]2CCCN(C2)C(=O)C=C)c2ncnc(N)c12","affinity_type":"IC50","affinity":"7.10","pmid":"","doi":"10.7270/Q2BR8VHD"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"376914","smile":"CN(C)C(=O)Cc1ccc(NC(=O)c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)cc1Cl","affinity_type":"IC50","affinity":"9.20","pmid":"","doi":"10.7270/Q2BR8VHD"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"376915","smile":"COc1cc(CC(=O)N(C)C)c(Cl)cc1NC(=O)c1nn([C@@H]2CCCN(C2)C(=O)C=C)c2ncnc(N)c12","affinity_type":"IC50","affinity":"10","pmid":"","doi":"10.7270/Q2BR8VHD"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"376917","smile":"COc1c(NC(=O)c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)ccc(CC(=O)N(C)C)c1Cl","affinity_type":"IC50","affinity":"7.50","pmid":"","doi":"10.7270/Q2BR8VHD"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"376918","smile":"CN(C)C(=O)Cc1ccc(NC(=O)c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)c(C)c1F","affinity_type":"IC50","affinity":"7.50","pmid":"","doi":"10.7270/Q2BR8VHD"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"376920","smile":"COc1c(NC(=O)c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)ccc(CC(=O)N(C)C)c1F","affinity_type":"IC50","affinity":"4.60","pmid":"","doi":"10.7270/Q2BR8VHD"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"376921","smile":"CN(C)C(=O)Cc1ccc(NC(=O)c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)c(OC(F)F)c1","affinity_type":"IC50","affinity":"8.60","pmid":"","doi":"10.7270/Q2BR8VHD"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"376922","smile":"CN(C)C(=O)Cc1ccc(NC(=O)c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)c(OCF)c1","affinity_type":"IC50","affinity":"10","pmid":"","doi":"10.7270/Q2BR8VHD"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"376923","smile":"CN(C)C(=O)Cc1ccc(NC(=O)c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)c(Br)c1","affinity_type":"IC50","affinity":"5.90","pmid":"","doi":"10.7270/Q2BR8VHD"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"376924","smile":"CN(C)C(=O)Cc1cc(Cl)c(NC(=O)c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)cc1F","affinity_type":"IC50","affinity":"4.40","pmid":"","doi":"10.7270/Q2BR8VHD"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"376925","smile":"CN(C)C(=O)Cc1cc(C)c(NC(=O)c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)cc1Cl","affinity_type":"IC50","affinity":"10","pmid":"","doi":"10.7270/Q2BR8VHD"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"376932","smile":"CN(C)C(=O)Oc1ccc(NC(=O)c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)c(C)c1","affinity_type":"IC50","affinity":"7.00","pmid":"","doi":"10.7270/Q2BR8VHD"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"376933","smile":"CN(C)C(=O)Oc1ccc(NC(=O)c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)c(Cl)c1","affinity_type":"IC50","affinity":"3.90","pmid":"","doi":"10.7270/Q2BR8VHD"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"376941","smile":"CN(C)C(=O)Oc1ccc(NC(=O)c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)cc1Cl","affinity_type":"IC50","affinity":"6.50","pmid":"","doi":"10.7270/Q2BR8VHD"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"376942","smile":"CN(C)C(=O)Oc1ccc(NC(=O)c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)cc1C","affinity_type":"IC50","affinity":"8.70","pmid":"","doi":"10.7270/Q2BR8VHD"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"376944","smile":"CN(C)C(=O)Oc1ccc(NC(=O)c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)c(C)c1C","affinity_type":"IC50","affinity":"9.30","pmid":"","doi":"10.7270/Q2BR8VHD"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"376945","smile":"CN(C)C(=O)Oc1ccc(NC(=O)c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)c2ccccc12","affinity_type":"IC50","affinity":"6.00","pmid":"","doi":"10.7270/Q2BR8VHD"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"376948","smile":"COc1cc(OC(=O)N(C)C)ccc1NC(=O)c1nn([C@@H]2CCCN(C2)C(=O)C=C)c2ncnc(N)c12","affinity_type":"IC50","affinity":"5.40","pmid":"","doi":"10.7270/Q2BR8VHD"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"376950","smile":"CN(C)C(=O)Oc1cc(C)c(NC(=O)c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)cc1C","affinity_type":"IC50","affinity":"10","pmid":"","doi":"10.7270/Q2BR8VHD"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"376960","smile":"CN(C)C(=O)Cc1ccc(NC(=O)c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)c(C=C)c1","affinity_type":"IC50","affinity":"8.50","pmid":"","doi":"10.7270/Q2BR8VHD"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"376962","smile":"CN(C)C(=O)Cc1ccc(NC(=O)c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)c(Cl)c1F","affinity_type":"IC50","affinity":"2.90","pmid":"","doi":"10.7270/Q2BR8VHD"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"376980","smile":"CN(C(=O)Oc1ccc(NC(=O)c2nn(N3CN(CC=C3)C(=O)C=C)c3ncnc(N)c23)c(C)c1)c1ccccc1 |c:19|","affinity_type":"IC50","affinity":"7.70","pmid":"","doi":"10.7270/Q2BR8VHD"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"376981","smile":"Cc1cc(OC(=O)N2CCCC2)ccc1NC(=O)c1nn(N2CC=CN(C2)C(=O)C=C)c2ncnc(N)c12 |c:25|","affinity_type":"IC50","affinity":"9.20","pmid":"","doi":"10.7270/Q2BR8VHD"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"376982","smile":"Cc1cc(OC(=O)N2CCCCC2)ccc1NC(=O)c1nn(N2CC=CN(C2)C(=O)C=C)c2ncnc(N)c12 |c:26|","affinity_type":"IC50","affinity":"10","pmid":"","doi":"10.7270/Q2BR8VHD"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"376988","smile":"CN(C)C(=O)Cc1ccc(NC(=O)c2nn([C@@H]3CC(F)CN(C3)C(=O)C=C)c3ncnc(N)c23)c(Cl)c1","affinity_type":"IC50","affinity":"5.00","pmid":"","doi":"10.7270/Q2BR8VHD"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"376907","smile":"CN(C)C(=O)Cc1cc(C)c(NC(=O)c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)cc1Br","affinity_type":"IC50","affinity":"10","pmid":"","doi":"10.7270/Q2MG7RWF"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"376908","smile":"CN(C)C(=O)Cc1cc(Cl)c(NC(=O)c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)cc1C","affinity_type":"IC50","affinity":"8.30","pmid":"","doi":"10.7270/Q2MG7RWF"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"376909","smile":"CN(C)C(=O)Cc1ccc(NC(=O)c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)c(Cl)c1C","affinity_type":"IC50","affinity":"7.10","pmid":"","doi":"10.7270/Q2MG7RWF"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"376912","smile":"CN(C)C(=O)Cc1ccc(NC(=O)c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)c(Cl)c1","affinity_type":"IC50","affinity":"4.00","pmid":"","doi":"10.7270/Q2MG7RWF"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"376913","smile":"COc1cc(CC(=O)N(C)C)ccc1NC(=O)c1nn([C@@H]2CCCN(C2)C(=O)C=C)c2ncnc(N)c12","affinity_type":"IC50","affinity":"7.10","pmid":"","doi":"10.7270/Q2MG7RWF"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"376914","smile":"CN(C)C(=O)Cc1ccc(NC(=O)c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)cc1Cl","affinity_type":"IC50","affinity":"9.20","pmid":"","doi":"10.7270/Q2MG7RWF"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"376915","smile":"COc1cc(CC(=O)N(C)C)c(Cl)cc1NC(=O)c1nn([C@@H]2CCCN(C2)C(=O)C=C)c2ncnc(N)c12","affinity_type":"IC50","affinity":"10","pmid":"","doi":"10.7270/Q2MG7RWF"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"376917","smile":"COc1c(NC(=O)c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)ccc(CC(=O)N(C)C)c1Cl","affinity_type":"IC50","affinity":"7.50","pmid":"","doi":"10.7270/Q2MG7RWF"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"376918","smile":"CN(C)C(=O)Cc1ccc(NC(=O)c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)c(C)c1F","affinity_type":"IC50","affinity":"7.50","pmid":"","doi":"10.7270/Q2MG7RWF"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"376920","smile":"COc1c(NC(=O)c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)ccc(CC(=O)N(C)C)c1F","affinity_type":"IC50","affinity":"4.60","pmid":"","doi":"10.7270/Q2MG7RWF"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"376921","smile":"CN(C)C(=O)Cc1ccc(NC(=O)c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)c(OC(F)F)c1","affinity_type":"IC50","affinity":"8.60","pmid":"","doi":"10.7270/Q2MG7RWF"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"376922","smile":"CN(C)C(=O)Cc1ccc(NC(=O)c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)c(OCF)c1","affinity_type":"IC50","affinity":"10","pmid":"","doi":"10.7270/Q2MG7RWF"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"376923","smile":"CN(C)C(=O)Cc1ccc(NC(=O)c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)c(Br)c1","affinity_type":"IC50","affinity":"5.90","pmid":"","doi":"10.7270/Q2MG7RWF"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"376924","smile":"CN(C)C(=O)Cc1cc(Cl)c(NC(=O)c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)cc1F","affinity_type":"IC50","affinity":"4.40","pmid":"","doi":"10.7270/Q2MG7RWF"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"376925","smile":"CN(C)C(=O)Cc1cc(C)c(NC(=O)c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)cc1Cl","affinity_type":"IC50","affinity":"10","pmid":"","doi":"10.7270/Q2MG7RWF"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"376932","smile":"CN(C)C(=O)Oc1ccc(NC(=O)c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)c(C)c1","affinity_type":"IC50","affinity":"7.00","pmid":"","doi":"10.7270/Q2MG7RWF"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"376933","smile":"CN(C)C(=O)Oc1ccc(NC(=O)c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)c(Cl)c1","affinity_type":"IC50","affinity":"3.90","pmid":"","doi":"10.7270/Q2MG7RWF"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"376941","smile":"CN(C)C(=O)Oc1ccc(NC(=O)c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)cc1Cl","affinity_type":"IC50","affinity":"6.50","pmid":"","doi":"10.7270/Q2MG7RWF"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"376942","smile":"CN(C)C(=O)Oc1ccc(NC(=O)c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)cc1C","affinity_type":"IC50","affinity":"8.70","pmid":"","doi":"10.7270/Q2MG7RWF"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"376944","smile":"CN(C)C(=O)Oc1ccc(NC(=O)c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)c(C)c1C","affinity_type":"IC50","affinity":"9.30","pmid":"","doi":"10.7270/Q2MG7RWF"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"376945","smile":"CN(C)C(=O)Oc1ccc(NC(=O)c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)c2ccccc12","affinity_type":"IC50","affinity":"6.00","pmid":"","doi":"10.7270/Q2MG7RWF"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"376948","smile":"COc1cc(OC(=O)N(C)C)ccc1NC(=O)c1nn([C@@H]2CCCN(C2)C(=O)C=C)c2ncnc(N)c12","affinity_type":"IC50","affinity":"5.40","pmid":"","doi":"10.7270/Q2MG7RWF"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"376950","smile":"CN(C)C(=O)Oc1cc(C)c(NC(=O)c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)cc1C","affinity_type":"IC50","affinity":"10","pmid":"","doi":"10.7270/Q2MG7RWF"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"376960","smile":"CN(C)C(=O)Cc1ccc(NC(=O)c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)c(C=C)c1","affinity_type":"IC50","affinity":"8.50","pmid":"","doi":"10.7270/Q2MG7RWF"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"376962","smile":"CN(C)C(=O)Cc1ccc(NC(=O)c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)c(Cl)c1F","affinity_type":"IC50","affinity":"2.90","pmid":"","doi":"10.7270/Q2MG7RWF"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"376980","smile":"CN(C(=O)Oc1ccc(NC(=O)c2nn(N3CN(CC=C3)C(=O)C=C)c3ncnc(N)c23)c(C)c1)c1ccccc1 |c:19|","affinity_type":"IC50","affinity":"7.70","pmid":"","doi":"10.7270/Q2MG7RWF"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"417103","smile":"Cc1cc(OC(=O)N2CCCCC2)ccc1NC(=O)c1nn(N2CN(CC=C2)C(=O)C=C)c2ncnc(N)c12","affinity_type":"IC50","affinity":"10","pmid":"","doi":"10.7270/Q2MG7RWF"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"376988","smile":"CN(C)C(=O)Cc1ccc(NC(=O)c2nn([C@@H]3CC(F)CN(C3)C(=O)C=C)c3ncnc(N)c23)c(Cl)c1","affinity_type":"IC50","affinity":"5.00","pmid":"","doi":"10.7270/Q2MG7RWF"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"5445","smile":"CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1","affinity_type":"IC50","affinity":"4.00","pmid":"","doi":"10.7270/Q2K64MFR"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"4779","smile":"C=CC(=O)Nc1cc2c(cc1OCCCN3CCOCC3)ncnc2Nc4ccc(c(c4)Cl)F","affinity_type":"IC50","affinity":"4.00","pmid":"","doi":"10.7270/Q2K64MFR"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"333446","smile":"CN1CCC2(CC(COc3cc4ncnc(Nc5ccc(F)c(Cl)c5)c4cc3NC(=O)C=C)CO2)CC1","affinity_type":"IC50","affinity":"7.10","pmid":"","doi":"10.7270/Q2K64MFR"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"333447","smile":"CN1CCC2(CCC(COc3cc4ncnc(Nc5ccc(F)c(Cl)c5)c4cc3NC(=O)C=C)O2)CC1","affinity_type":"IC50","affinity":"4.30","pmid":"","doi":"10.7270/Q2K64MFR"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"333448","smile":"CN1C[C@H]2[C@H](CCOc3cc4ncnc(Nc5ccc(F)c(Cl)c5)c4cc3NC(=O)C=C)[C@H]2C1","affinity_type":"IC50","affinity":"6.50","pmid":"","doi":"10.7270/Q2K64MFR"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"333465","smile":"CN1CCC2(CC2CCOc2cc3ncnc(Nc4ccc(F)c(Cl)c4)c3cc2NC(=O)C=C)CC1","affinity_type":"IC50","affinity":"2.60","pmid":"","doi":"10.7270/Q2K64MFR"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"333466","smile":"CN1CCC2(CC(COc3cc4ncnc(Nc5ccc(F)c(Cl)c5)c4cc3NC(=O)C=C)C2)CC1","affinity_type":"IC50","affinity":"6.50","pmid":"","doi":"10.7270/Q2K64MFR"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"333467","smile":"CN1CCC2(CC(CCOc3cc4ncnc(Nc5ccc(F)c(Cl)c5)c4cc3NC(=O)C=C)C2)CC1","affinity_type":"IC50","affinity":"3.10","pmid":"","doi":"10.7270/Q2K64MFR"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"471589","smile":"CN1CCC(Oc2cccc3ncnc(Nc4ccc(Oc5ccn6ncnc6c5)c(C)c4)c23)C(F)(F)C1","affinity_type":"IC50","affinity":"6.86","pmid":"","doi":"10.7270/Q2QJ7MCP"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"471590","smile":"Cc1cc(Nc2ncnc3cccc(O[C@H]4C[C@H]5CC[C@@H](C4)N5CC(F)F)c23)ccc1Oc1ccn2ncnc2c1","affinity_type":"IC50","affinity":"6.17","pmid":"","doi":"10.7270/Q2QJ7MCP"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"471592","smile":"COc1ccc2ncnc(Nc3ccc(Oc4ccn5ncnc5c4)c(C)c3)c2c1OC[C@H]1CC(F)(F)CCN1C","affinity_type":"IC50","affinity":"7.96","pmid":"","doi":"10.7270/Q2QJ7MCP"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"471593","smile":"COc1ccc2ncnc(Nc3ccc(Oc4ccn5ncnc5c4)c(C)c3)c2c1OC1CN(C)CCC1(F)F","affinity_type":"IC50","affinity":"6.83","pmid":"","doi":"10.7270/Q2QJ7MCP"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"471595","smile":"CN1CCC(Oc2cccc3ncnc(Nc4ccc(Oc5ccc6n(C)cnc6c5)c(C)c4)c23)C(F)(F)C1","affinity_type":"IC50","affinity":"5.57","pmid":"","doi":"10.7270/Q2QJ7MCP"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"471596","smile":"COc1cc(OC2CCN(C)CC2(F)F)c2c(Nc3ccc(Oc4ccn5ccnc5c4)c(C)c3)ncnc2c1","affinity_type":"IC50","affinity":"6.92","pmid":"","doi":"10.7270/Q2QJ7MCP"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"471598","smile":"CN1CCC(Oc2cc(N)cc3ncnc(Nc4ccc(Oc5ccn6ncnc6c5)c(C)c4)c23)C(F)(F)C1","affinity_type":"IC50","affinity":"7.86","pmid":"","doi":"10.7270/Q2QJ7MCP"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"471600","smile":"CCN1CC[C@H](Oc2cccc3ncnc(Nc4ccc(Oc5ccn6ncnc6c5)c(C)c4)c23)C(F)(F)C1","affinity_type":"IC50","affinity":"7.56","pmid":"","doi":"10.7270/Q2QJ7MCP"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"471603","smile":"Cc1cc(Nc2ncnc3cccc(O[C@H]4CCN[C@@H](C4)C(F)F)c23)ccc1Oc1ccn2ccnc2c1","affinity_type":"IC50","affinity":"2.55","pmid":"","doi":"10.7270/Q2QJ7MCP"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"471607","smile":"C[C@H]1C[C@H](Oc2cccc3ncnc(Nc4ccc(Oc5ccn6ncnc6c5)c(C)c4)c23)C(F)(F)CN1C","affinity_type":"IC50","affinity":"9.56","pmid":"","doi":"10.7270/Q2QJ7MCP"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"471611","smile":"COc1ccc2ncnc(Nc3ccc(Oc4cc5ncnn5cc4F)c(C)c3)c2c1OC1CCN(C)CC1(F)F","affinity_type":"IC50","affinity":"6.17","pmid":"","doi":"10.7270/Q2QJ7MCP"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"471589","smile":"CN1CCC(Oc2cccc3ncnc(Nc4ccc(Oc5ccn6ncnc6c5)c(C)c4)c23)C(F)(F)C1","affinity_type":"IC50","affinity":"9.38","pmid":"","doi":"10.7270/Q2QJ7MCP"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"471614","smile":"COc1ccc2ncnc(Nc3ccc(Oc4ccn5ncnc5c4)c(C)c3)c2c1OC1CCN(C)CC1(F)F","affinity_type":"IC50","affinity":"5.84","pmid":"","doi":"10.7270/Q2QJ7MCP"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"471617","smile":"Cc1cc(ccc1Oc2ccn3c(c2)ncn3)Nc4c5cc(ccc5ncn4)NC6=NC(CO6)(C)C","affinity_type":"IC50","affinity":"2.00","pmid":"","doi":"10.7270/Q2QJ7MCP"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"50161957","smile":"CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)\\C=C\\CN(C)C","affinity_type":"IC50","affinity":"1.96","pmid":"","doi":"10.7270/Q2QJ7MCP"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"581370","smile":"CCOC(=O)C1=C(C(F)(F)F)NC2=C(C(=O)CC(C)(C)C2)C1c1ccc(S(=O)(=O)c2ccccc2)cc1","affinity_type":"IC50","affinity":"0.60","pmid":"","doi":"10.7270/Q25B06BK"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"581371","smile":"Cc1ccc(S(=O)(=O)c2ccc(C3C(C(=O)c4ccccc4)=C(N)NC4=C3C(=O)CC(C)(C)C4)cc2)cc1","affinity_type":"IC50","affinity":"0.34","pmid":"","doi":"10.7270/Q25B06BK"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"16673","smile":"CNC(=O)c1cc(ccn1)Oc2ccc(cc2)NC(=O)Nc3ccc(c(c3)C(F)(F)F)Cl","affinity_type":"IC50","affinity":"0.56","pmid":"","doi":"10.7270/Q25B06BK"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"608400","smile":"CN(C)C(=O)Cc1cc(C)c(Nc2nn(C3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)cc1Br","affinity_type":"IC50","affinity":"10","pmid":"","doi":"10.7270/Q2F193VV"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"608401","smile":"CN(C)C(=O)Cc1cc(Cl)c(Nc2nn(C3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)cc1C","affinity_type":"IC50","affinity":"8.30","pmid":"","doi":"10.7270/Q2F193VV"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"608402","smile":"CN(C)C(=O)Cc1ccc(Nc2nn(C3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)c(Cl)c1C","affinity_type":"IC50","affinity":"7.10","pmid":"","doi":"10.7270/Q2F193VV"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"376912","smile":"CN(C)C(=O)Cc1ccc(NC(=O)c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)c(Cl)c1","affinity_type":"IC50","affinity":"4.00","pmid":"","doi":"10.7270/Q2F193VV"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"376913","smile":"COc1cc(CC(=O)N(C)C)ccc1NC(=O)c1nn([C@@H]2CCCN(C2)C(=O)C=C)c2ncnc(N)c12","affinity_type":"IC50","affinity":"7.10","pmid":"","doi":"10.7270/Q2F193VV"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"376914","smile":"CN(C)C(=O)Cc1ccc(NC(=O)c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)cc1Cl","affinity_type":"IC50","affinity":"9.20","pmid":"","doi":"10.7270/Q2F193VV"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"376915","smile":"COc1cc(CC(=O)N(C)C)c(Cl)cc1NC(=O)c1nn([C@@H]2CCCN(C2)C(=O)C=C)c2ncnc(N)c12","affinity_type":"IC50","affinity":"10","pmid":"","doi":"10.7270/Q2F193VV"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"376917","smile":"COc1c(NC(=O)c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)ccc(CC(=O)N(C)C)c1Cl","affinity_type":"IC50","affinity":"7.50","pmid":"","doi":"10.7270/Q2F193VV"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"376918","smile":"CN(C)C(=O)Cc1ccc(NC(=O)c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)c(C)c1F","affinity_type":"IC50","affinity":"7.50","pmid":"","doi":"10.7270/Q2F193VV"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"376920","smile":"COc1c(NC(=O)c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)ccc(CC(=O)N(C)C)c1F","affinity_type":"IC50","affinity":"4.60","pmid":"","doi":"10.7270/Q2F193VV"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"376921","smile":"CN(C)C(=O)Cc1ccc(NC(=O)c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)c(OC(F)F)c1","affinity_type":"IC50","affinity":"8.60","pmid":"","doi":"10.7270/Q2F193VV"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"376922","smile":"CN(C)C(=O)Cc1ccc(NC(=O)c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)c(OCF)c1","affinity_type":"IC50","affinity":"10","pmid":"","doi":"10.7270/Q2F193VV"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"376923","smile":"CN(C)C(=O)Cc1ccc(NC(=O)c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)c(Br)c1","affinity_type":"IC50","affinity":"5.90","pmid":"","doi":"10.7270/Q2F193VV"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"376924","smile":"CN(C)C(=O)Cc1cc(Cl)c(NC(=O)c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)cc1F","affinity_type":"IC50","affinity":"4.40","pmid":"","doi":"10.7270/Q2F193VV"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"376925","smile":"CN(C)C(=O)Cc1cc(C)c(NC(=O)c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)cc1Cl","affinity_type":"IC50","affinity":"10","pmid":"","doi":"10.7270/Q2F193VV"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"376932","smile":"CN(C)C(=O)Oc1ccc(NC(=O)c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)c(C)c1","affinity_type":"IC50","affinity":"7.00","pmid":"","doi":"10.7270/Q2F193VV"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"376933","smile":"CN(C)C(=O)Oc1ccc(NC(=O)c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)c(Cl)c1","affinity_type":"IC50","affinity":"3.90","pmid":"","doi":"10.7270/Q2F193VV"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"376941","smile":"CN(C)C(=O)Oc1ccc(NC(=O)c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)cc1Cl","affinity_type":"IC50","affinity":"6.50","pmid":"","doi":"10.7270/Q2F193VV"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"376942","smile":"CN(C)C(=O)Oc1ccc(NC(=O)c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)cc1C","affinity_type":"IC50","affinity":"8.70","pmid":"","doi":"10.7270/Q2F193VV"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"376944","smile":"CN(C)C(=O)Oc1ccc(NC(=O)c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)c(C)c1C","affinity_type":"IC50","affinity":"9.30","pmid":"","doi":"10.7270/Q2F193VV"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"376945","smile":"CN(C)C(=O)Oc1ccc(NC(=O)c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)c2ccccc12","affinity_type":"IC50","affinity":"6.00","pmid":"","doi":"10.7270/Q2F193VV"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"376948","smile":"COc1cc(OC(=O)N(C)C)ccc1NC(=O)c1nn([C@@H]2CCCN(C2)C(=O)C=C)c2ncnc(N)c12","affinity_type":"IC50","affinity":"5.40","pmid":"","doi":"10.7270/Q2F193VV"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"376950","smile":"CN(C)C(=O)Oc1cc(C)c(NC(=O)c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)cc1C","affinity_type":"IC50","affinity":"10","pmid":"","doi":"10.7270/Q2F193VV"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"376960","smile":"CN(C)C(=O)Cc1ccc(NC(=O)c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)c(C=C)c1","affinity_type":"IC50","affinity":"8.50","pmid":"","doi":"10.7270/Q2F193VV"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"376962","smile":"CN(C)C(=O)Cc1ccc(NC(=O)c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)c(Cl)c1F","affinity_type":"IC50","affinity":"2.90","pmid":"","doi":"10.7270/Q2F193VV"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"608469","smile":"CN(c1ccccc1)c1ccc(Nc2nn(C3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)c(C)c1","affinity_type":"IC50","affinity":"7.70","pmid":"","doi":"10.7270/Q2F193VV"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"376981","smile":"Cc1cc(OC(=O)N2CCCC2)ccc1NC(=O)c1nn(N2CC=CN(C2)C(=O)C=C)c2ncnc(N)c12 |c:25|","affinity_type":"IC50","affinity":"9.20","pmid":"","doi":"10.7270/Q2F193VV"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"376982","smile":"Cc1cc(OC(=O)N2CCCCC2)ccc1NC(=O)c1nn(N2CC=CN(C2)C(=O)C=C)c2ncnc(N)c12 |c:26|","affinity_type":"IC50","affinity":"10","pmid":"","doi":"10.7270/Q2F193VV"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"376988","smile":"CN(C)C(=O)Cc1ccc(NC(=O)c2nn([C@@H]3CC(F)CN(C3)C(=O)C=C)c3ncnc(N)c23)c(Cl)c1","affinity_type":"IC50","affinity":"5.00","pmid":"","doi":"10.7270/Q2F193VV"},{"query":"Receptor tyrosine-protein kinase 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erbB-2","monomerid":"612271","smile":"COc1ccc2ncnc(Nc3ccc(Oc4cc5ncnn5cn4)c(C)c3)c2c1N1CC2(C1)C[C@@H](F)CN2C |r|","affinity_type":"IC50","affinity":"5.00","pmid":"","doi":"10.7270/Q2N87FXD"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"612272","smile":"COc1ccc2ncnc(Nc3ccc(Oc4cc5ncnn5cn4)c(C)c3)c2c1N1C[C@H]2[C@@H]1CCN2C |r|","affinity_type":"IC50","affinity":"2.50","pmid":"","doi":"10.7270/Q2N87FXD"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"612273","smile":"COc1ccc2ncnc(Nc3ccc(Oc4cc5ncnn5cn4)c(C)c3)c2c1N1C[C@@H]2[C@H]1CCN2C |r|","affinity_type":"IC50","affinity":"7.30","pmid":"","doi":"10.7270/Q2N87FXD"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"612274","smile":"COc1ccc2ncnc(Nc3ccc(Oc4cc5ncnn5cn4)c(C)c3)c2c1N1CC2(C1)C[C@H](F)CCN2C |r|","affinity_type":"IC50","affinity":"4.10","pmid":"","doi":"10.7270/Q2N87FXD"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"612275","smile":"COc1ccc2ncnc(Nc3ccc(Oc4cc5ncnn5cn4)c(C)c3)c2c1N1CC2(C1)C[C@@H](F)CCN2C |r|","affinity_type":"IC50","affinity":"6.70","pmid":"","doi":"10.7270/Q2N87FXD"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"612281","smile":"COc1ccc2ncnc(Nc3ccc(Oc4cc5ncnn5cn4)c(C)c3)c2c1N1CC2C1CCN2CC(F)F","affinity_type":"IC50","affinity":"6.40","pmid":"","doi":"10.7270/Q2N87FXD"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"612284","smile":"COc1ccc2ncnc(Nc3ccc(Oc4cc5ncnn5cn4)c(C)c3)c2c1O[C@@H]1CN(C)CC1(F)F |r|","affinity_type":"IC50","affinity":"9.90","pmid":"","doi":"10.7270/Q2N87FXD"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"612289","smile":"COc1ccc2ncnc(Nc3ccc(Oc4cc5ncnn5cn4)c(C)c3)c2c1O[C@@H]1CCN(CC1(F)F)C1CC1 |r|","affinity_type":"IC50","affinity":"9.80","pmid":"","doi":"10.7270/Q2N87FXD"},{"query":"Receptor tyrosine-protein kinase 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erbB-2","monomerid":"633964","smile":"CN(C)C/C=C/C(=O)N1CCN2C[C@H]1COc1cc3ncnc(Nc4ccc(Oc5ccn6ncnc6c5)c(F)c4)c3nc12","affinity_type":"IC50","affinity":"8.92","pmid":"","doi":"10.7270/Q23X8BTS"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"633968","smile":"CN(C)C/C=C/C(=O)N1CCN2C[C@H]1COc1cc3ncnc(Nc4cc(Cl)c(Oc5ccn6ncnc6c5)cc4F)c3nc12","affinity_type":"IC50","affinity":"8.69","pmid":"","doi":"10.7270/Q23X8BTS"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"633971","smile":"Cc1cc(Nc2ncnc3cc4c(nc23)N2CCN(C(=O)/C=C/CN(C)C)[C@H](CO4)C2)c(F)cc1Oc1ccn2ncnc2c1","affinity_type":"IC50","affinity":"6.84","pmid":"","doi":"10.7270/Q23X8BTS"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"633976","smile":"Cc1cc(Nc2ncnc3cc4c(nc23)N2CCN(C(=O)/C=C/CN(C)C)[C@H](CO4)C2)ccc1Oc1cncc(F)c1","affinity_type":"IC50","affinity":"8.84","pmid":"","doi":"10.7270/Q23X8BTS"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"633971","smile":"Cc1cc(Nc2ncnc3cc4c(nc23)N2CCN(C(=O)/C=C/CN(C)C)[C@H](CO4)C2)c(F)cc1Oc1ccn2ncnc2c1","affinity_type":"IC50","affinity":"5.50","pmid":"","doi":"10.7270/Q23X8BTS"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"633971","smile":"Cc1cc(Nc2ncnc3cc4c(nc23)N2CCN(C(=O)/C=C/CN(C)C)[C@H](CO4)C2)c(F)cc1Oc1ccn2ncnc2c1","affinity_type":"IC50","affinity":"9.00","pmid":"","doi":"10.7270/Q23X8BTS"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"635715","smile":"Nc1nccn2c(nc(-c3ccc(cc3)C(F)(F)c3cccc(F)c3F)c12)C12CCC(CO)(CC1)OC2","affinity_type":"IC50","affinity":"4.35","pmid":"","doi":"10.7270/Q25Q517V"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"635742","smile":"COc1ccccc1C(F)(F)c1ccc(cc1)-c1nc(n2ccnc(N)c12)C12CCC(CO)(CC1)OC2","affinity_type":"IC50","affinity":"1.69","pmid":"","doi":"10.7270/Q25Q517V"},{"query":"Receptor tyrosine-protein kinase 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tyrosine-protein kinase erbB-2","monomerid":"638278","smile":"CN([C@H]1CCOC1)c1ncc2ncnc(Nc3ccc(Oc4ccn5ncnc5c4)c(C)c3)c2n1 |r|","affinity_type":"IC50","affinity":"9.40","pmid":"","doi":"10.7270/Q2NK3K67"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"638293","smile":"CN(C)c1ncc2ncnc(Nc3ccc(Oc4ccn5ncnc5c4)c(Cl)c3)c2n1","affinity_type":"IC50","affinity":"9.60","pmid":"","doi":"10.7270/Q2NK3K67"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"638386","smile":"Cn1cnc2cc(Oc3ccc(Nc4ncnc5cnc(nc45)N4CC[C@@H]5COC[C@@H]45)cc3Cl)ccc12 |r|","affinity_type":"IC50","affinity":"9.70","pmid":"","doi":"10.7270/Q2NK3K67"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"684564","smile":"Cc1cc(Nc2ncnn3ccc(CN4C[C@@H]5CC[C@H](C4)[C@@H]5N)c23)ccc1Oc1ccn2ncnc2c1 |r|","affinity_type":"IC50","affinity":"10","pmid":"","doi":"10.7270/Q2W66R3G"},{"query":"Receptor tyrosine-protein kinase 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erbB-2","monomerid":"5445","smile":"CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1","affinity_type":"IC50","affinity":"9.0","pmid":"26475520","doi":"10.1016/j.bmcl.2015.10.003"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"50358430","smile":"CC(C)(CC(=O)NCCn1ccc2c1c(ncn2)Nc3ccc(c(c3)Cl)Oc4cccc(c4)C(F)(F)F)O","affinity_type":"IC50","affinity":"3.0","pmid":"26475520","doi":"10.1016/j.bmcl.2015.10.003"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"50171256","smile":"COc1cc(ON2CCC(C)CC2)c2c(Nc3ccc(OCc4ccccn4)c(Cl)c3)ncnc2c1","affinity_type":"IC50","affinity":"5","pmid":"16055332","doi":"10.1016/j.bmcl.2005.06.068"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"50182908","smile":"CS(=O)(=O)CCNC(=O)NCc1cccc(n1)C#Cc1cncnc1Nc1ccc(OCc2cccc(F)c2)c(Cl)c1","affinity_type":"IC50","affinity":"9","pmid":"16483772","doi":"10.1016/j.bmcl.2006.01.111"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"5445","smile":"CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1","affinity_type":"IC50","affinity":"9","pmid":"16483772","doi":"10.1016/j.bmcl.2006.01.111"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"50209338","smile":"Cc1cc(Nc2ncnc3cnc(cc23)N2CCOCC2)ccc1OC1CCN(CC1)C(=O)Nc1c(F)cccc1F","affinity_type":"IC50","affinity":"7","pmid":"17398092","doi":"10.1016/j.bmcl.2007.03.046"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"50222491","smile":"CN(CCOc1cccc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c12)C(=O)CO","affinity_type":"IC50","affinity":"4","pmid":"17869514","doi":"10.1016/j.bmcl.2007.08.073"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"50222495","smile":"OCC(=O)N1CCC[C@H]1COc1cccc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c12","affinity_type":"IC50","affinity":"2","pmid":"17869514","doi":"10.1016/j.bmcl.2007.08.073"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"50236373","smile":"C[C@@H](Oc1cccc2ncnc(Nc3ccc4n(Cc5cccc(F)c5)ncc4c3)c12)C(=O)N(C)C","affinity_type":"IC50","affinity":"8","pmid":"18313293","doi":"10.1016/j.bmcl.2008.02.035"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"50236375","smile":"C[C@H](Oc1cccc2ncnc(Nc3ccc4n(Cc5cccc(F)c5)ncc4c3)c12)C(=O)N(C)C","affinity_type":"IC50","affinity":"6","pmid":"18313293","doi":"10.1016/j.bmcl.2008.02.035"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"5445","smile":"CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1","affinity_type":"IC50","affinity":"9","pmid":"18500794","doi":"10.1021/jm7013875"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"4581","smile":"COCOCC#CC(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1","affinity_type":"IC50","affinity":"9","pmid":"18500794","doi":"10.1021/jm7013875"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"5444","smile":"CS(=O)(=O)CCNCc1nc(cs1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1","affinity_type":"IC50","affinity":"10","pmid":"18500794","doi":"10.1021/jm7013875"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"50270525","smile":"OCc1ccc(o1)-c1cc2c(Nc3ccc(OCc4ccccc4)cc3)ncnc2cn1","affinity_type":"IC50","affinity":"4","pmid":"18500794","doi":"10.1021/jm7013875"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"50270524","smile":"CC(C)(Oc1cccc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c12)C(N)=O","affinity_type":"IC50","affinity":"2","pmid":"18500794","doi":"10.1021/jm7013875"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"50271272","smile":"CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc4n(Cc5ccccc5)ncc4c3)c2c1","affinity_type":"IC50","affinity":"1","pmid":"18500794","doi":"10.1021/jm7013875"},{"query":"Receptor tyrosine-protein kinase 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erbB-2","monomerid":"50307777","smile":"COc1cc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1OCCCCCCC(=O)NO","affinity_type":"IC50","affinity":"10","pmid":"20143778","doi":"10.1021/jm901453q"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"5445","smile":"CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1","affinity_type":"IC50","affinity":"10","pmid":"20143778","doi":"10.1021/jm901453q"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"50311462","smile":"CCN(CC)CCNC(=O)c1[nH]c2cnnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1C","affinity_type":"IC50","affinity":"7","pmid":"19815412","doi":"10.1016/j.bmcl.2009.09.038"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"50311465","smile":"Cc1c(C(=O)NCCN2CCOCC2)[nH]c2cnnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c12","affinity_type":"IC50","affinity":"4","pmid":"19815412","doi":"10.1016/j.bmcl.2009.09.038"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"5445","smile":"CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1","affinity_type":"IC50","affinity":"3","pmid":"19815412","doi":"10.1016/j.bmcl.2009.09.038"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"5445","smile":"CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1","affinity_type":"IC50","affinity":"10","pmid":"20166671","doi":"10.1021/jm901132v"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"50315895","smile":"CN(C)CCc1ccc(Nc2nccc(n2)-c2c(nc3sccn23)-c2cccc(NC(=O)c3c(F)cccc3F)c2)cc1","affinity_type":"IC50","affinity":"4.3","pmid":"20346655","doi":"10.1016/j.bmcl.2010.03.015"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"50315897","smile":"Fc1cccc(F)c1C(=O)Nc1cccc(c1)-c1nc2sccn2c1-c1ccnc(Nc2ccc3CNCCc3c2)n1","affinity_type":"IC50","affinity":"7.2","pmid":"20346655","doi":"10.1016/j.bmcl.2010.03.015"},{"query":"Receptor tyrosine-protein kinase 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erbB-2","monomerid":"5445","smile":"CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1","affinity_type":"IC50","affinity":"4.5","pmid":"21080629","doi":"10.1021/jm100665z"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"50333374","smile":"NC1CCN(Cc2ccn3ncnc(Nc4cccc(Cl)c4)c23)CC1","affinity_type":"IC50","affinity":"4","pmid":"21177105","doi":"10.1016/j.bmcl.2010.11.100"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"50333375","smile":"NC1CCN(Cc2ccn3ncnc(Nc4cccc(Br)c4)c23)CC1","affinity_type":"IC50","affinity":"4","pmid":"21177105","doi":"10.1016/j.bmcl.2010.11.100"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"50333376","smile":"Cc1cccc(Nc2ncnn3ccc(CN4CCC(N)CC4)c23)c1","affinity_type":"IC50","affinity":"5","pmid":"21177105","doi":"10.1016/j.bmcl.2010.11.100"},{"query":"Receptor tyrosine-protein kinase 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erbB-2","monomerid":"50371358","smile":"C[C@@H](Oc1cccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c12)C(=O)N(C)CCO","affinity_type":"IC50","affinity":"2","pmid":"18061446","doi":"10.1016/j.bmcl.2007.11.052"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"50373852","smile":"Clc1cc(Nc2ncnc3n[nH]c(OCCN4CCNCC4)c23)ccc1OCc1ccccn1","affinity_type":"IC50","affinity":"3","pmid":"18182285","doi":"10.1016/j.bmcl.2007.12.035"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"50373853","smile":"CN1CCN(CCOc2[nH]nc3ncnc(Nc4ccc(OCc5ccccn5)c(Cl)c4)c23)CC1","affinity_type":"IC50","affinity":"1","pmid":"18182285","doi":"10.1016/j.bmcl.2007.12.035"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"50373854","smile":"Cc1ccc(Oc2ccc(Nc3ncnc4n[nH]c(OCCN5CCC(O)CC5)c34)cc2F)cn1","affinity_type":"IC50","affinity":"5","pmid":"18182285","doi":"10.1016/j.bmcl.2007.12.035"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"50373859","smile":"OCCOc1[nH]nc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c12","affinity_type":"IC50","affinity":"4","pmid":"18182285","doi":"10.1016/j.bmcl.2007.12.035"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"50373855","smile":"CN1CCN(CCCOc2[nH]nc3ncnc(Nc4ccc(OCc5ccccn5)c(Cl)c4)c23)CC1","affinity_type":"IC50","affinity":"4","pmid":"18182285","doi":"10.1016/j.bmcl.2007.12.035"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"50373860","smile":"OC1CCN(CCCOc2[nH]nc3ncnc(Nc4ccc(OCc5ccccn5)c(Cl)c4)c23)CC1","affinity_type":"IC50","affinity":"6","pmid":"18182285","doi":"10.1016/j.bmcl.2007.12.035"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"50373861","smile":"COC1CCN(CCOc2[nH]nc3ncnc(Nc4ccc(OCc5ccccn5)c(Cl)c4)c23)CC1","affinity_type":"IC50","affinity":"4","pmid":"18182285","doi":"10.1016/j.bmcl.2007.12.035"},{"query":"Receptor tyrosine-protein kinase 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erbB-2","monomerid":"50301107","smile":"CC(C)OC(=O)N(C)C1CN[C@H](C(=O)N2CC=C(c3ccccc3)CC2)[C@@H](C(=O)NO)C1","affinity_type":"IC50","affinity":"8.5","pmid":"19635666","doi":"10.1016/j.bmcl.2009.07.052"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"50301109","smile":"ONC(=O)[C@H]1C[C@@H](CN[C@@H]1C(=O)N1CCN(CC1)c1ccccc1)OC(=O)N1CCCC1 |r|","affinity_type":"IC50","affinity":"3.8","pmid":"19635666","doi":"10.1016/j.bmcl.2009.07.052"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"50301114","smile":"COC(=O)N1C[C@H](C[C@@H]([C@H]1C(=O)N1CCN(CC1)c1ccccc1)C(=O)NO)OC(=O)N1CCCC1 |r|","affinity_type":"IC50","affinity":"8.1","pmid":"19635666","doi":"10.1016/j.bmcl.2009.07.052"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"50301116","smile":"CN1C[C@@H](OC(=O)N2CC=CC2)C[C@H](C(=O)NO)[C@H]1C(=O)N1CCN(c2ccccc2)CC1","affinity_type":"IC50","affinity":"3.8","pmid":"19635666","doi":"10.1016/j.bmcl.2009.07.052"},{"query":"Receptor tyrosine-protein 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erbB-2","monomerid":"50386701","smile":"CC(=O)NCCn1ccc2ncnc(Nc3ccc(Oc4cccc5sncc45)c(Cl)c3)c12","affinity_type":"IC50","affinity":"1.6","pmid":"22439974","doi":"10.1021/jm300185p"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"50386702","smile":"OCCn1ccc2ncnc(Nc3ccc(Oc4cccc5sncc45)c(Cl)c3)c12","affinity_type":"IC50","affinity":"2.1","pmid":"22439974","doi":"10.1021/jm300185p"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"50386703","smile":"Cn1ncc2c(Oc3ccc(Nc4ncnc5ccn(CCO)c45)cc3Cl)cccc12","affinity_type":"IC50","affinity":"2.1","pmid":"22439974","doi":"10.1021/jm300185p"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"50386704","smile":"OCCn1ccc2ncnc(Nc3ccc(Oc4cccc5[nH]ncc45)c(Cl)c3)c21","affinity_type":"IC50","affinity":"1.7","pmid":"22439974","doi":"10.1021/jm300185p"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"50386705","smile":"OCCn1ccc2ncnc(Nc3ccc(Oc4cccc5sccc45)c(Cl)c3)c12","affinity_type":"IC50","affinity":"6","pmid":"22439974","doi":"10.1021/jm300185p"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"50386706","smile":"OCCn1ccc2ncnc(Nc3ccc(Oc4cccc5[nH]ccc45)c(Cl)c3)c21","affinity_type":"IC50","affinity":"2.5","pmid":"22439974","doi":"10.1021/jm300185p"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"50386707","smile":"OCCn1ccc2ncnc(Nc3ccc(Oc4cccc5NC(=O)Cc45)c(Cl)c3)c12","affinity_type":"IC50","affinity":"1.6","pmid":"22439974","doi":"10.1021/jm300185p"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"50386708","smile":"OCCn1ccc2ncnc(Nc3ccc(Oc4cccc5CC(=O)Nc45)c(Cl)c3)c12","affinity_type":"IC50","affinity":"1.5","pmid":"22439974","doi":"10.1021/jm300185p"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"50386709","smile":"OCCn1ccc2ncnc(Nc3ccc(Oc4cccc5CNC(=O)c45)c(Cl)c3)c12","affinity_type":"IC50","affinity":"2.5","pmid":"22439974","doi":"10.1021/jm300185p"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"50386694","smile":"OCCn1ccc2ncnc(Nc3ccc(Oc4ccc5CNC(=O)c5c4)c(Cl)c3)c12","affinity_type":"IC50","affinity":"1.3","pmid":"22439974","doi":"10.1021/jm300185p"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"50386713","smile":"CC(C)(C)NC(=O)c1cccc(Oc2ccc(Nc3ncnc4ccn(CCO)c34)cc2Cl)c1","affinity_type":"IC50","affinity":"2.3","pmid":"22439974","doi":"10.1021/jm300185p"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"50391641","smile":"CC(C(=O)NCCn1ccc2ncnc(Nc3ccc(Oc4cccc(c4)C(F)(F)F)c(Cl)c3)c12)S(C)(=O)=O","affinity_type":"IC50","affinity":"7.1","pmid":"22980219","doi":"10.1016/j.bmc.2012.08.002"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"50391642","smile":"CC(C(=O)NCCn1ccc2ncnc(Nc3ccc(Oc4cccc(Cl)c4)c(Cl)c3)c12)S(C)(=O)=O","affinity_type":"IC50","affinity":"4.1","pmid":"22980219","doi":"10.1016/j.bmc.2012.08.002"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"50391645","smile":"CS(=O)(=O)CC(=O)NCCn1ccc2ncnc(Nc3ccc(Oc4cccc(Cl)c4)c(Cl)c3)c12","affinity_type":"IC50","affinity":"2.9","pmid":"22980219","doi":"10.1016/j.bmc.2012.08.002"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"50391647","smile":"CCS(=O)(=O)CC(=O)NCCn1ccc2ncnc(Nc3ccc(Oc4cccc(c4)C(F)(F)F)c(Cl)c3)c12","affinity_type":"IC50","affinity":"8.5","pmid":"22980219","doi":"10.1016/j.bmc.2012.08.002"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"50391649","smile":"CS(=O)(=O)CC(=O)NCCn1ccc2ncnc(Nc3ccc(Oc4cccc(c4)C(F)(F)F)c(Cl)c3)c12","affinity_type":"IC50","affinity":"6.3","pmid":"22980219","doi":"10.1016/j.bmc.2012.08.002"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"4779","smile":"C=CC(=O)Nc1cc2c(cc1OCCCN3CCOCC3)ncnc2Nc4ccc(c(c4)Cl)F","affinity_type":"IC50","affinity":"5","pmid":"22621397","doi":"10.1021/jm3003203"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"5445","smile":"CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1","affinity_type":"IC50","affinity":"9.8","pmid":"33650861","doi":"10.7270/Q2FB5754"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"50357312","smile":"Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CCCN(C1)C(=O)C=C","affinity_type":"IC50","affinity":"1.5","pmid":"29715023","doi":"10.1021/acs.jmedchem.8b00441"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"5445","smile":"CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1","affinity_type":"IC50","affinity":"9.2","pmid":"28754471","doi":"10.1016/j.ejmech.2017.07.023"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"50468247","smile":"COc1cc2ncnc(Nc3ccc(Cl)c(Cl)c3F)c2cc1OC1CCN(CC1)C(=O)C=C","affinity_type":"IC50","affinity":"5.3","pmid":"28754471","doi":"10.1016/j.ejmech.2017.07.023"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"50654475","smile":"Cc1cc(Nc2ncnc3ccc(NC(=O)/C=C/[C@H]4CCCN4C)cc23)ccc1Oc1cc2ncnn2cn1","affinity_type":"IC50","affinity":"1.4","pmid":"39059182","doi":"10.7270/Q2BC44CM"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"50654476","smile":"CCOc1cc2ncnc(Nc3ccc(Oc4ccn5ncnc5c4)c(C)c3)c2cc1NC(=O)/C=C/[C@H]1CCCN1C","affinity_type":"IC50","affinity":"1.7","pmid":"39059182","doi":"10.7270/Q2BC44CM"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"50654477","smile":"CCOc1cc2ncnc(Nc3ccc(Oc4ccn5ncnc5c4)c(C)c3)c2cc1NC(=O)/C(F)=C/[C@H]1CCCN1C","affinity_type":"IC50","affinity":"3.5","pmid":"39059182","doi":"10.7270/Q2BC44CM"},{"query":"Receptor tyrosine-protein kinase 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erbB-2","monomerid":"50604104","smile":"C=CC(=O)Nc1ccc2ncnc(Nc3ccc4[nH]cc(Br)c4c3)c2c1","affinity_type":"IC50","affinity":"3.5","pmid":"39059182","doi":"10.7270/Q2BC44CM"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"50654484","smile":"Cc1ccc2cccc(Oc3ccc(Nc4ncnc5ccc(NC6CCCC6)cc45)cc3C)c2n1","affinity_type":"IC50","affinity":"8.0","pmid":"39059182","doi":"10.7270/Q2BC44CM"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"50545281","smile":"Fc1cccc(COc2ccc(Nc3ncnc4cc5OCCN(C(=O)\\C=C\\CN6CCCC6)c5cc34)cc2Cl)c1","affinity_type":"IC50","affinity":"4.0","pmid":"39059182","doi":"10.7270/Q2BC44CM"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"50545284","smile":"CCN(CC)C\\C=C\\C(=O)N1CCOc2cc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3cc12","affinity_type":"IC50","affinity":"4.0","pmid":"39059182","doi":"10.7270/Q2BC44CM"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"50507316","smile":"COc1cc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1OCCCN1CCNCCNCCNCC1","affinity_type":"IC50","affinity":"2.1","pmid":"39059182","doi":"10.7270/Q2BC44CM"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"50654486","smile":"COc1cc2c(Nc3ccc(Oc4ccn5ncnc5c4)c(C)c3)ncnc2cc1OCCCN1CCN(CCCCCCCNc2ccc3c(c2)C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1","affinity_type":"IC50","affinity":"0.040000","pmid":"39059182","doi":"10.7270/Q2BC44CM"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"50654487","smile":"CCOc1cc2c(cc1NC(=O)/C=C/CN(C)C)c(c(cn2)C#N)Nc3ccc(c(c3)C)Oc4ccn5c(c4)ncn5","affinity_type":"IC50","affinity":"2.2","pmid":"39059182","doi":"10.7270/Q2BC44CM"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"5446","smile":"COCCOc1cc2c(cc1OCCOC)ncnc2Nc3cccc(c3)C#C","affinity_type":"IC50","affinity":"2.0","pmid":"39059182","doi":"10.7270/Q2BC44CM"},{"query":"Receptor tyrosine-protein kinase 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erbB-2","monomerid":"612264","smile":"COc1ccc2ncnc(Nc3ccc(Oc4cc5ncnn5cn4)c(C)c3)c2c1O[C@@H]1CCN(C)CC1(F)F |r|","affinity_type":"IC50","affinity":"9.5","pmid":"39059182","doi":"10.7270/Q2BC44CM"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"50654491","smile":"C=CC(=O)N1CCN(c2ncc3ncnc(Nc4ccc(Oc5ccn6ncnc6c5)c(C)c4)c3n2)CC1","affinity_type":"IC50","affinity":"5.8","pmid":"39059182","doi":"10.7270/Q2BC44CM"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"50643838","smile":"CN(C)C/C=C/C(=O)Nc1ccc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2c1-c1ccccc1","affinity_type":"IC50","affinity":"2.7","pmid":"39059182","doi":"10.7270/Q2BC44CM"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"50643856","smile":"CN(C)C/C=C/C(=O)Nc1ccc2ncnc3c2c1CCN3c1ccc(OCc2ccccn2)c(Cl)c1","affinity_type":"IC50","affinity":"1.6","pmid":"39059182","doi":"10.7270/Q2BC44CM"},{"query":"Receptor tyrosine-protein kinase 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erbB-2","monomerid":"140984","smile":"NS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1","affinity_type":"IC50","affinity":"3.9","pmid":"24121234","doi":"10.1016/j.ejmech.2013.09.032"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"50493763","smile":"CC(=O)N1CCN(Cc2ccc(o2)-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)CC1","affinity_type":"IC50","affinity":"6.8","pmid":"24121234","doi":"10.1016/j.ejmech.2013.09.032"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"50493759","smile":"C[S+]([O-])CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1","affinity_type":"IC50","affinity":"8.5","pmid":"24121234","doi":"10.1016/j.ejmech.2013.09.032"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"50507316","smile":"COc1cc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1OCCCN1CCNCCNCCNCC1","affinity_type":"IC50","affinity":"2.1","pmid":"30508379","doi":"10.1021/acs.jmedchem.8b01612"},{"query":"Receptor tyrosine-protein kinase 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erbB-2","monomerid":"50161957","smile":"CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)\\C=C\\CN(C)C","affinity_type":"IC50","affinity":"9.7","pmid":"32931277","doi":"10.1021/acs.jmedchem.0c00870"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"5445","smile":"CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1","affinity_type":"IC50","affinity":"2.8","pmid":"32931277","doi":"10.1021/acs.jmedchem.0c00870"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"50358430","smile":"CC(C)(CC(=O)NCCn1ccc2c1c(ncn2)Nc3ccc(c(c3)Cl)Oc4cccc(c4)C(F)(F)F)O","affinity_type":"IC50","affinity":"9.1","pmid":"32931277","doi":"10.1021/acs.jmedchem.0c00870"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"50322823","smile":"CN(C)C/C=C/C(=O)Nc1cc2c(cc1O[C@H]3CCOC3)ncnc2Nc4ccc(c(c4)Cl)F","affinity_type":"IC50","affinity":"7.7","pmid":"32931277","doi":"10.1021/acs.jmedchem.0c00870"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"50029668","smile":"COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1cn(C)c2ccccc12","affinity_type":"IC50","affinity":"4.8","pmid":"32931277","doi":"10.1021/acs.jmedchem.0c00870"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"50547263","smile":"C=CC(=O)Nc1cccc(-c2c(-c3ccc(N4CCN(C)CC4)cc3)[nH]c3ncnc(Nc4ccc(OC(c5ccccc5)c5ccccc5)cc4)c23)c1","affinity_type":"IC50","affinity":"4.5","pmid":"32931277","doi":"10.1021/acs.jmedchem.0c00870"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"50547266","smile":"C=CC(=O)Nc1cccc(-c2c(-c3ccc(N4CCN(C)CC4)cc3)[nH]c3ncnc(Nc4ccc(O)cc4)c23)c1","affinity_type":"IC50","affinity":"3.9","pmid":"32931277","doi":"10.1021/acs.jmedchem.0c00870"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"50547268","smile":"C=CC(=O)Nc1cccc(-c2c[nH]c3ncnc(Nc4ccc5c(ccn5Cc5ccccc5)c4)c23)c1","affinity_type":"IC50","affinity":"7.9","pmid":"32931277","doi":"10.1021/acs.jmedchem.0c00870"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"50547270","smile":"C=CC(=O)Nc1cccc(-c2c[nH]c3ncnc(Nc4ccc5[nH]c(Cc6ccccc6)nc5c4)c23)c1","affinity_type":"IC50","affinity":"3.5","pmid":"32931277","doi":"10.1021/acs.jmedchem.0c00870"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"50547273","smile":"C=CC(=O)Nc1cccc(-c2c[nH]c3ncnc(Nc4ccc(OCN5C(=O)c6ccccc6C5=O)cc4)c23)c1","affinity_type":"IC50","affinity":"4.5","pmid":"32931277","doi":"10.1021/acs.jmedchem.0c00870"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"50547276","smile":"C=CC(=O)Nc1cc(-c2c[nH]c3ncnc(Nc4ccc(OCc5ccccn5)c(Cl)c4)c23)ccc1OCCO","affinity_type":"IC50","affinity":"1.9","pmid":"32931277","doi":"10.1021/acs.jmedchem.0c00870"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"50547277","smile":"C=CC(=O)Nc1cc(-c2c[nH]c3ncnc(Nc4ccc(OCc5ccccn5)c(Cl)c4)c23)ccc1OCCCO","affinity_type":"IC50","affinity":"9.3","pmid":"32931277","doi":"10.1021/acs.jmedchem.0c00870"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"31340","smile":"COCC(=O)NC\\C=C\\c1ccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c2c1","affinity_type":"IC50","affinity":"10","pmid":"33479663","doi":"10.1039/d0md00012d"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"50357312","smile":"Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CCCN(C1)C(=O)C=C","affinity_type":"IC50","affinity":"9.4","pmid":"29324347","doi":"10.1016/j.ejmech.2017.12.079"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"31340","smile":"COCC(=O)NC\\C=C\\c1ccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c2c1","affinity_type":"IC50","affinity":"10","pmid":"33314925","doi":"10.1021/acs.jmedchem.0c01647"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"50559342","smile":"CN1CCN(CCCOc2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)CC1","affinity_type":"IC50","affinity":"8.3","pmid":"33314925","doi":"10.1021/acs.jmedchem.0c01647"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"50559343","smile":"OCCNCC(=O)Nc1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1","affinity_type":"IC50","affinity":"10","pmid":"33314925","doi":"10.1021/acs.jmedchem.0c01647"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"50559344","smile":"CN1CCN(CC(=O)Nc2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)CC1","affinity_type":"IC50","affinity":"6.1","pmid":"33314925","doi":"10.1021/acs.jmedchem.0c01647"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"50559346","smile":"CN1CCN(CC(=O)Nc2ccc3ncnc(Nc4ccc(Oc5cccc(C)c5)c(Cl)c4)c3c2)CC1","affinity_type":"IC50","affinity":"5.4","pmid":"33314925","doi":"10.1021/acs.jmedchem.0c01647"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"50357312","smile":"Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CCCN(C1)C(=O)C=C","affinity_type":"IC50","affinity":"6.4","pmid":"32527559","doi":"10.1016/j.bmcl.2020.127261"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"50562884","smile":"ONC(=O)CCCn1cc(COc2cc3ncnc(Nc4cccc(Cl)c4F)c3cc2NC(=O)C=C)nn1","affinity_type":"IC50","affinity":"8.0","pmid":"33493830","doi":"10.1016/j.ejmech.2021.113173"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"50562886","smile":"ONC(=O)CCn1cc(COc2cc3ncnc(Nc4ccc(F)c(Cl)c4)c3cc2NC(=O)C=C)nn1","affinity_type":"IC50","affinity":"5.4","pmid":"33493830","doi":"10.1016/j.ejmech.2021.113173"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"50562887","smile":"ONC(=O)CCCn1cc(COc2cc3ncnc(Nc4ccc(F)c(Cl)c4)c3cc2NC(=O)C=C)nn1","affinity_type":"IC50","affinity":"5.7","pmid":"33493830","doi":"10.1016/j.ejmech.2021.113173"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"50562888","smile":"ONC(=O)CCCCn1cc(COc2cc3ncnc(Nc4ccc(F)c(Cl)c4)c3cc2NC(=O)C=C)nn1","affinity_type":"IC50","affinity":"7.3","pmid":"33493830","doi":"10.1016/j.ejmech.2021.113173"},{"query":"Receptor tyrosine-protein kinase 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tyrosine-protein kinase erbB-2","monomerid":"50357312","smile":"Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CCCN(C1)C(=O)C=C","affinity_type":"IC50","affinity":"6.4","pmid":"34839996","doi":"10.7270/Q2ZK5MN1"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"4779","smile":"C=CC(=O)Nc1cc2c(cc1OCCCN3CCOCC3)ncnc2Nc4ccc(c(c4)Cl)F","affinity_type":"IC50","affinity":"9.0","pmid":"33539089","doi":"10.7270/Q24Q801K"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"471617","smile":"Cc1cc(ccc1Oc2ccn3c(c2)ncn3)Nc4c5cc(ccc5ncn4)NC6=NC(CO6)(C)C","affinity_type":"IC50","affinity":"6.9","pmid":"34624192","doi":"10.7270/Q2FX7FJ5"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"5445","smile":"CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1","affinity_type":"IC50","affinity":"9.8","pmid":"33540357","doi":"10.7270/Q2PN99PG"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"50604104","smile":"C=CC(=O)Nc1ccc2ncnc(Nc3ccc4[nH]cc(Br)c4c3)c2c1","affinity_type":"IC50","affinity":"3.5","pmid":"35259690","doi":"10.7270/Q2Z89HHD"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"50161957","smile":"CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)\\C=C\\CN(C)C","affinity_type":"IC50","affinity":"5.6","pmid":"35319895","doi":"10.7270/Q2CC14RQ"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"139991","smile":"CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)\\C=C\\[C@H]1CCCN1C |r|","affinity_type":"IC50","affinity":"9.1","pmid":"35319895","doi":"10.7270/Q2CC14RQ"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"50604482","smile":"CN1CCC[C@@H]1\\C=C\\C(=O)Nc1cc2c(Nc3ccc(Oc4ccn5ccnc5c4)c(C)c3)ncnc2cc1O","affinity_type":"IC50","affinity":"1.7","pmid":"35319895","doi":"10.7270/Q2CC14RQ"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"50604483","smile":"CN1CCC[C@@H]1\\C=C\\C(=O)Nc1cc2c(Nc3ccc(Oc4ccn5ncnc5c4)c(C)c3)ncnc2cc1O","affinity_type":"IC50","affinity":"1.4","pmid":"35319895","doi":"10.7270/Q2CC14RQ"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"50604484","smile":"CN1CCC[C@@H]1\\C=C\\C(=O)Nc1cc2c(Nc3ccc(Oc4ccc5nccn5c4)c(C)c3)ncnc2cc1O","affinity_type":"IC50","affinity":"6.4","pmid":"35319895","doi":"10.7270/Q2CC14RQ"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"50604485","smile":"CN1CCC[C@@H]1\\C=C\\C(=O)Nc1cc2c(Nc3ccc(Oc4cnc5ccnn5c4)c(C)c3)ncnc2cc1O","affinity_type":"IC50","affinity":"2.4","pmid":"35319895","doi":"10.7270/Q2CC14RQ"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"50604486","smile":"CN1CCC[C@@H]1\\C=C\\C(=O)Nc1cc2c(Nc3ccc(Oc4cc5nccn5cn4)c(C)c3)ncnc2cc1O","affinity_type":"IC50","affinity":"1.1","pmid":"35319895","doi":"10.7270/Q2CC14RQ"},{"query":"Receptor tyrosine-protein kinase 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erbB-2","monomerid":"50604497","smile":"CN1CCC[C@@H]1\\C=C\\C(=O)Nc1ccc2ncnc(Nc3ccc(Oc4cc5nncn5cn4)c(C)c3)c2c1","affinity_type":"IC50","affinity":"1.4","pmid":"35319895","doi":"10.7270/Q2CC14RQ"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"50604499","smile":"CN(C)C\\C=C\\C(=O)Nc1ccc2ncnc(Nc3ccc(Oc4cc5nncn5cn4)c(C)c3)c2c1","affinity_type":"IC50","affinity":"2.9","pmid":"35319895","doi":"10.7270/Q2CC14RQ"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"50604500","smile":"COCC(=O)NC\\C=C\\c1ccc2ncnc(Nc3ccc(Oc4cc5nncn5cn4)c(C)c3)c2c1","affinity_type":"IC50","affinity":"2.6","pmid":"35319895","doi":"10.7270/Q2CC14RQ"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"50604493","smile":"CCOc1cc2ncnc(Nc3ccc(Oc4cc5nncn5cn4)c(C)c3)c2cc1NC(=O)C(\\F)=C\\[C@H]1CCCN1C","affinity_type":"IC50","affinity":"0.420000","pmid":"35319895","doi":"10.7270/Q2CC14RQ"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"50161957","smile":"CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)\\C=C\\CN(C)C","affinity_type":"IC50","affinity":"6.1","pmid":"35319895","doi":"10.7270/Q2CC14RQ"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"139991","smile":"CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)\\C=C\\[C@H]1CCCN1C |r|","affinity_type":"IC50","affinity":"6.7","pmid":"35319895","doi":"10.7270/Q2CC14RQ"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"50604493","smile":"CCOc1cc2ncnc(Nc3ccc(Oc4cc5nncn5cn4)c(C)c3)c2cc1NC(=O)C(\\F)=C\\[C@H]1CCCN1C","affinity_type":"IC50","affinity":"0.430000","pmid":"35319895","doi":"10.7270/Q2CC14RQ"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"50604493","smile":"CCOc1cc2ncnc(Nc3ccc(Oc4cc5nncn5cn4)c(C)c3)c2cc1NC(=O)C(\\F)=C\\[C@H]1CCCN1C","affinity_type":"IC50","affinity":"0.560000","pmid":"35319895","doi":"10.7270/Q2CC14RQ"},{"query":"Receptor tyrosine-protein kinase 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erbB-2","monomerid":"50322823","smile":"CN(C)C/C=C/C(=O)Nc1cc2c(cc1O[C@H]3CCOC3)ncnc2Nc4ccc(c(c4)Cl)F","affinity_type":"IC50","affinity":"2.0","pmid":"36804726","doi":"10.7270/Q25D8X2D"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"50613848","smile":"Fc1c(Cl)c(Cl)ccc1Nc1ncnc2cc(O[C@H]3CCOC3)c(OC3CCN(CC3)C(=O)C=C)cc12","affinity_type":"IC50","affinity":"0.960000","pmid":"36804726","doi":"10.7270/Q25D8X2D"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"50613861","smile":"Fc1c(Cl)cccc1Nc1ncnc2cc(O[C@H]3CCOC3)c(OC3CCN(CC3)C(=O)C=C)cc12","affinity_type":"IC50","affinity":"1.4","pmid":"36804726","doi":"10.7270/Q25D8X2D"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"471617","smile":"Cc1cc(ccc1Oc2ccn3c(c2)ncn3)Nc4c5cc(ccc5ncn4)NC6=NC(CO6)(C)C","affinity_type":"IC50","affinity":"7.0","pmid":"38820338","doi":"10.7270/Q2FN1BS1"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"50643836","smile":"CN1CCC[C@@H]1/C=C/C(=O)Nc1ccc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2c1","affinity_type":"IC50","affinity":"6.1","pmid":"38518121","doi":"10.7270/Q2BK1J0K"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"50322823","smile":"CN(C)C/C=C/C(=O)Nc1cc2c(cc1O[C@H]3CCOC3)ncnc2Nc4ccc(c(c4)Cl)F","affinity_type":"IC50","affinity":"5.0","pmid":"38518121","doi":"10.7270/Q2BK1J0K"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"50161957","smile":"CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)\\C=C\\CN(C)C","affinity_type":"IC50","affinity":"3.4","pmid":"38518121","doi":"10.7270/Q2BK1J0K"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"50643838","smile":"CN(C)C/C=C/C(=O)Nc1ccc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2c1-c1ccccc1","affinity_type":"IC50","affinity":"2.7","pmid":"38518121","doi":"10.7270/Q2BK1J0K"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"50643839","smile":"COc1cccc(-c2c(NC(=O)/C=C/CN(C)C)ccc3ncnc(Nc4ccc(OCc5ccccn5)c(Cl)c4)c23)c1","affinity_type":"IC50","affinity":"3.3","pmid":"38518121","doi":"10.7270/Q2BK1J0K"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"50643841","smile":"Cc1cccc(-c2c(NC(=O)/C=C/CN(C)C)ccc3ncnc(Nc4ccc(OCc5ccccn5)c(Cl)c4)c23)c1","affinity_type":"IC50","affinity":"1.6","pmid":"38518121","doi":"10.7270/Q2BK1J0K"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"50643842","smile":"CN1CCC[C@@H]1/C=C/C(=O)Nc1ccc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2c1-c1ccccc1","affinity_type":"IC50","affinity":"6.0","pmid":"38518121","doi":"10.7270/Q2BK1J0K"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"50643843","smile":"COc1cccc(-c2c(NC(=O)/C=C/[C@H]3CCCN3C)ccc3ncnc(Nc4ccc(OCc5ccccn5)c(Cl)c4)c23)c1","affinity_type":"IC50","affinity":"4.9","pmid":"38518121","doi":"10.7270/Q2BK1J0K"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"50643844","smile":"COc1ccc(-c2c(NC(=O)/C=C/[C@H]3CCCN3C)ccc3ncnc(Nc4ccc(OCc5ccccn5)c(Cl)c4)c23)cc1OC","affinity_type":"IC50","affinity":"9.1","pmid":"38518121","doi":"10.7270/Q2BK1J0K"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"50643845","smile":"Cc1cccc(-c2c(NC(=O)/C=C/[C@H]3CCCN3C)ccc3ncnc(Nc4ccc(OCc5ccccn5)c(Cl)c4)c23)c1","affinity_type":"IC50","affinity":"4.7","pmid":"38518121","doi":"10.7270/Q2BK1J0K"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"50643846","smile":"CN(C)C/C=C/C(=O)Nc1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1-c1ccccc1","affinity_type":"IC50","affinity":"7.9","pmid":"38518121","doi":"10.7270/Q2BK1J0K"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"50643847","smile":"COc1cccc(-c2c(NC(=O)/C=C/CN(C)C)ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c23)c1","affinity_type":"IC50","affinity":"1.6","pmid":"38518121","doi":"10.7270/Q2BK1J0K"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"50643856","smile":"CN(C)C/C=C/C(=O)Nc1ccc2ncnc3c2c1CCN3c1ccc(OCc2ccccn2)c(Cl)c1","affinity_type":"IC50","affinity":"1.6","pmid":"38518121","doi":"10.7270/Q2BK1J0K"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"50643857","smile":"CN(C)C/C=C/C(=O)Nc1ccc2ncnc3c2c1CCN3c1ccc(OCc2cccc(F)c2)c(Cl)c1","affinity_type":"IC50","affinity":"4.4","pmid":"38518121","doi":"10.7270/Q2BK1J0K"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"50643860","smile":"CN(C)C/C=C/C(=O)Nc1ccc2ncnc3c2c1C=CN3c1ccc(OCc2ccccn2)c(Cl)c1","affinity_type":"IC50","affinity":"2.7","pmid":"38518121","doi":"10.7270/Q2BK1J0K"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"50643861","smile":"CN(C)C/C=C/C(=O)Nc1ccc2ncnc3c2c1C=CN3c1ccc(OCc2cccc(F)c2)c(Cl)c1","affinity_type":"IC50","affinity":"4.1","pmid":"38518121","doi":"10.7270/Q2BK1J0K"},{"query":"Receptor tyrosine-protein kinase 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erbB-2","monomerid":"536910","smile":"COc1cc(N2CCOC[C@@H]2CN(C)C)c(NC(=O)C=C)cc1Nc1ncnc(Nc2cc(F)c(F)cc2C(C)(C)O)n1 |r|","affinity_type":"IC50","affinity":"4.70","pmid":"","doi":"10.7270/Q2G73JX7"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"536911","smile":"COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nccc(Nc2cc(Cl)c(F)cc2C(C)(C)O)n1","affinity_type":"IC50","affinity":"5.30","pmid":"","doi":"10.7270/Q2G73JX7"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"528566","smile":"COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1ncnc(Nc2cc(F)c(Cl)cc2C(C)(C)O)n1","affinity_type":"IC50","affinity":"3.30","pmid":"","doi":"10.7270/Q2G73JX7"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"536913","smile":"COc1cc(N2CC[C@@H]2CN(C)C)c(NC(=O)C=C)cc1Nc1ncnc(Nc2cc(Cl)c(F)cc2C(C)(C)O)n1 |r|","affinity_type":"IC50","affinity":"9.30","pmid":"","doi":"10.7270/Q2G73JX7"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"536915","smile":"COc1cc(N2CCOC[C@@H]2CN(C)C)c(NC(=O)C=C)cc1Nc1ncnc(Nc2cc(Cl)c(F)cc2C(C)(C)O)n1 |r|","affinity_type":"IC50","affinity":"5.00","pmid":"","doi":"10.7270/Q2G73JX7"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"536916","smile":"COc1cc(N2CC[C@@H]3CN(C)C[C@H]23)c(NC(=O)C=C)cc1Nc1ncnc(Nc2cc(F)c(Cl)cc2C(C)(C)O)n1 |r|","affinity_type":"IC50","affinity":"9.00","pmid":"","doi":"10.7270/Q2G73JX7"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"536918","smile":"COc1cc(N2CCC[C@@H]2CN(C)C)c(NC(=O)C=C)cc1Nc1ncnc(Nc2cc(F)c(Cl)cc2C(C)(C)O)n1 |r|","affinity_type":"IC50","affinity":"2.90","pmid":"","doi":"10.7270/Q2G73JX7"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"536919","smile":"COc1cc(N(C)C[C@@H]2CCCN2C)c(NC(=O)C=C)cc1Nc1ncnc(Nc2cc(Cl)c(F)cc2C(C)(C)O)n1 |r|","affinity_type":"IC50","affinity":"8.00","pmid":"","doi":"10.7270/Q2G73JX7"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"536920","smile":"COc1cc(N2CC[C@@H]3CN(C)C[C@H]23)c(NC(=O)C=C)cc1Nc1ncnc(Nc2cc(F)c(cc2C(C)(C)O)C2CC2)n1 |r|","affinity_type":"IC50","affinity":"3.00","pmid":"","doi":"10.7270/Q2G73JX7"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"536921","smile":"COc1cc(N2CCC[C@@H]2CN(C)C)c(NC(=O)C=C)cc1Nc1ncnc(Nc2cc(F)c(cc2C(C)(C)O)C2CC2)n1 |r|","affinity_type":"IC50","affinity":"1.70","pmid":"","doi":"10.7270/Q2G73JX7"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"536922","smile":"CCC(C)(O)c1cc(F)c(F)cc1Nc1ncnc(Nc2cc(NC(=O)C=C)c(cc2OC)N2CC[C@@H]3CN(C)C[C@H]23)n1 |r|","affinity_type":"IC50","affinity":"4.40","pmid":"","doi":"10.7270/Q2G73JX7"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"536923","smile":"CCC(C)(O)c1cc(F)c(F)cc1Nc1ncnc(Nc2cc(NC(=O)C=C)c(cc2OC)N2CC[C@H](C2)N(C)C)n1 |r|","affinity_type":"IC50","affinity":"2.80","pmid":"","doi":"10.7270/Q2G73JX7"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"536924","smile":"CCC(C)(O)c1cc(F)c(F)cc1Nc1ncnc(Nc2cc(NC(=O)C=C)c(cc2OC)N(C)CCN(C)C)n1","affinity_type":"IC50","affinity":"6.20","pmid":"","doi":"10.7270/Q2G73JX7"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"536927","smile":"COc1cc(N2CC[C@H](C2)N(C)C)c(NC(=O)C=C)cc1Nc1nccc(Nc2cc(Cl)c(F)cc2C(C)(C)O)n1 |r|","affinity_type":"IC50","affinity":"7.50","pmid":"","doi":"10.7270/Q2G73JX7"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"536930","smile":"CCC(C)(O)c1cc(F)c(F)cc1Nc1ncnc(Nc2cc(NC(=O)C=C)c(cc2OC)N2CC[C@@H]2CN(C)C)n1 |r|","affinity_type":"IC50","affinity":"8.40","pmid":"","doi":"10.7270/Q2G73JX7"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"536931","smile":"CCC(C)(O)c1cc(F)c(Cl)cc1Nc1ncnc(Nc2cc(NC(=O)C=C)c(cc2OC)N2CC[C@@H]2CN(C)C)n1 |r|","affinity_type":"IC50","affinity":"7.80","pmid":"","doi":"10.7270/Q2G73JX7"},{"query":"Receptor tyrosine-protein kinase 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erbB-2","monomerid":"536946","smile":"COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1ncnc(Nc2ccccc2C(C)(O)C(F)(F)F)n1","affinity_type":"IC50","affinity":"8.20","pmid":"","doi":"10.7270/Q2G73JX7"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"536948","smile":"CCC(C)(O)c1cc(F)c(Cl)cc1Nc1ncnc(Nc2cc(NC(=O)C=C)c(cc2OC)N(C)CCN(C)C)n1","affinity_type":"IC50","affinity":"4.30","pmid":"","doi":"10.7270/Q2G73JX7"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"536954","smile":"COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1ncnc(Nc2cc(Cl)c(F)cc2C2(O)CCC2)n1","affinity_type":"IC50","affinity":"8.90","pmid":"","doi":"10.7270/Q2G73JX7"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"536965","smile":"COc1cc(N2CC(F)(F)C[C@@H]2CN(C)C)c(NC(=O)C=C)cc1Nc1nccc(Nc2cc(Cl)c(F)cc2C(C)(C)O)n1 |r|","affinity_type":"IC50","affinity":"7.00","pmid":"","doi":"10.7270/Q2G73JX7"},{"query":"Receptor tyrosine-protein kinase 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erbB-2","monomerid":"50322823","smile":"CN(C)C/C=C/C(=O)Nc1cc2c(cc1O[C@H]3CCOC3)ncnc2Nc4ccc(c(c4)Cl)F","affinity_type":"IC50","affinity":"2.80","pmid":"","doi":"10.7270/Q2G73JX7"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"50468247","smile":"COc1cc2ncnc(Nc3ccc(Cl)c(Cl)c3F)c2cc1OC1CCN(CC1)C(=O)C=C","affinity_type":"IC50","affinity":"0.800","pmid":"","doi":"10.7270/Q2G73JX7"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"50161957","smile":"CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)\\C=C\\CN(C)C","affinity_type":"IC50","affinity":"1.20","pmid":"","doi":"10.7270/Q2G73JX7"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"700898","smile":"Cc3ccc(S(=O)(=O)Nc1ccccc1Nc2nc(Cl)ncc2C)cc3","affinity_type":"IC50","affinity":"6.00","pmid":"","doi":"10.7270/Q2RJ4Q05"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"700902","smile":"C=CC(=O)Nc1cc(N)c(OC)cc1N(C)CCN2CCCC2","affinity_type":"IC50","affinity":"5.00","pmid":"","doi":"10.7270/Q2RJ4Q05"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"700903","smile":"C=CC(=O)Nc1cc(N)c(OC)cc1OCCN2CCCC2","affinity_type":"IC50","affinity":"4.00","pmid":"","doi":"10.7270/Q2RJ4Q05"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"700904","smile":"C=CC(=O)Nc1cc(N)c(OC)cc1N(C)CCN2CCCCC2","affinity_type":"IC50","affinity":"0.300","pmid":"","doi":"10.7270/Q2RJ4Q05"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"700905","smile":"C=CC(=O)Nc1cc(N)c(OC)cc1N(C)CCN(C(=O)OCc2ccccc2)C(C)C","affinity_type":"IC50","affinity":"8.00","pmid":"","doi":"10.7270/Q2RJ4Q05"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"700906","smile":"C=CC(=O)Nc3cc(Nc2ncc(Cl)c(Nc1ccccc1NS(C)(=O)=O)n2)c(OC)cc3N(C)CCN(C(=O)OCc4ccccc4)C(C)C","affinity_type":"IC50","affinity":"7.00","pmid":"","doi":"10.7270/Q2RJ4Q05"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"700909","smile":"COc2cc(N1CCOCC1)c(N)cc2Nc4ncc(Cl)c(Nc3ccccc3NS(C)(=O)=O)n4","affinity_type":"IC50","affinity":"10","pmid":"","doi":"10.7270/Q2RJ4Q05"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"700912","smile":"CN(c1ccccc1Nc1nc(Cl)ncc1Cl)S(C)(=O)=O","affinity_type":"IC50","affinity":"8.00","pmid":"","doi":"10.7270/Q2RJ4Q05"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"700913","smile":"CCS(=O)(=O)N(C)c1ccccc1Nc1nc(Cl)ncc1Cl","affinity_type":"IC50","affinity":"4.00","pmid":"","doi":"10.7270/Q2RJ4Q05"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"700914","smile":"CCN(c1ccccc1Nc1nc(Cl)ncc1Cl)S(C)(=O)=O","affinity_type":"IC50","affinity":"9.00","pmid":"","doi":"10.7270/Q2RJ4Q05"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"700915","smile":"CC(C)N(c1ccccc1Nc1nc(Cl)ncc1Cl)S(C)(=O)=O","affinity_type":"IC50","affinity":"6.00","pmid":"","doi":"10.7270/Q2RJ4Q05"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"700916","smile":"CCN(c1ccccc1Nc1nc(Cl)ncc1Cl)S(=O)(=O)CC","affinity_type":"IC50","affinity":"8.00","pmid":"","doi":"10.7270/Q2RJ4Q05"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"700917","smile":"CS(=O)(=O)Nc1c(Cl)cccc1Nc2nc(Cl)ncc2Cl","affinity_type":"IC50","affinity":"6.00","pmid":"","doi":"10.7270/Q2RJ4Q05"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"700918","smile":"CN(c1c(Cl)cccc1Nc1nc(Cl)ncc1Cl)S(C)(=O)=O","affinity_type":"IC50","affinity":"8.00","pmid":"","doi":"10.7270/Q2RJ4Q05"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"700919","smile":"Cc2cccc(Nc1nc(Cl)ncc1Cl)c2NS(C)(=O)=O","affinity_type":"IC50","affinity":"2.00","pmid":"","doi":"10.7270/Q2RJ4Q05"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"700920","smile":"CC(C)c1cccc(Nc2nc(Cl)ncc2Cl)c1N(C)S(C)(=O)=O","affinity_type":"IC50","affinity":"6.00","pmid":"","doi":"10.7270/Q2RJ4Q05"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"700925","smile":"CCc2cccc(Nc1nc(Cl)ncc1Cl)c2NS(=O)(=O)CC","affinity_type":"IC50","affinity":"4.00","pmid":"","doi":"10.7270/Q2RJ4Q05"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"700972","smile":"Cc1ccc(Nc2nc(Cl)ncc2Cl)c(N(C)S(C)(=O)=O)c1C","affinity_type":"IC50","affinity":"10","pmid":"","doi":"10.7270/Q2RJ4Q05"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"700926","smile":"Cc2ccc(Nc1nc(Cl)ncc1Cl)c(NS(C)(=O)=O)c2C","affinity_type":"IC50","affinity":"10","pmid":"","doi":"10.7270/Q2RJ4Q05"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"700927","smile":"Cc1ccc(Nc2nc(Cl)ncc2Cl)c(N(C)S(C)(=O)=O)c1","affinity_type":"IC50","affinity":"<1.000","pmid":"","doi":"10.7270/Q2RJ4Q05"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"700928","smile":"Cc2ccc(Nc1nc(Cl)ncc1Cl)c(NS(C)(=O)=O)c2","affinity_type":"IC50","affinity":"<1.000","pmid":"","doi":"10.7270/Q2RJ4Q05"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"700929","smile":"CS(=O)(=O)N1CCCc2cccc(Nc3nc(Cl)ncc3Cl)c21","affinity_type":"IC50","affinity":"<1.000","pmid":"","doi":"10.7270/Q2RJ4Q05"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"700932","smile":"C=CC(=O)Nc1cc(N)c(OC)cc1N3CCC(N2CCN(C)CC2)CC3","affinity_type":"IC50","affinity":"10","pmid":"","doi":"10.7270/Q2RJ4Q05"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"700933","smile":"COC(=O)c1cnc(Cl)nc1Nc1cccc2c1N(S(C)(=O)=O)CCC2","affinity_type":"IC50","affinity":"1.000","pmid":"","doi":"10.7270/Q2RJ4Q05"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"700973","smile":"CC(C)OC(=O)c1cnc(Cl)nc1Nc1cccc2c1N(S(C)(=O)=O)CCC2","affinity_type":"IC50","affinity":"3.00","pmid":"","doi":"10.7270/Q2RJ4Q05"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"700974","smile":"C=CC(=O)Nc1cc(N)c(OC)cc1N(C)CCN2CCOCC2","affinity_type":"IC50","affinity":"<1.000","pmid":"","doi":"10.7270/Q2RJ4Q05"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"700934","smile":"C=C(F)C(=O)Nc1cc(N)c(OC)cc1N(C)CCN(C)C","affinity_type":"IC50","affinity":"3.00","pmid":"","doi":"10.7270/Q2RJ4Q05"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"700936","smile":"CCS(=O)(=O)N1CCc2cccc(Nc3nc(Cl)ncc3Cl)c21","affinity_type":"IC50","affinity":"5.00","pmid":"","doi":"10.7270/Q2RJ4Q05"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"700938","smile":"COC(=O)c1cnc(Cl)nc1Nc1cccc2c1N(S(C)(=O)=O)CC2","affinity_type":"IC50","affinity":"6.00","pmid":"","doi":"10.7270/Q2RJ4Q05"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"700939","smile":"CC(C)OC(=O)c1cnc(Cl)nc1Nc1cccc2c1N(S(C)(=O)=O)CC2","affinity_type":"IC50","affinity":"6.00","pmid":"","doi":"10.7270/Q2RJ4Q05"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"700942","smile":"C=CC(=O)Nc1cc(N)c(OC)cc1N(C)CCN2CCOCC2","affinity_type":"IC50","affinity":"1.000","pmid":"","doi":"10.7270/Q2RJ4Q05"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"700943","smile":"CS(=O)(=O)N3CCc2cccc(Nc1nc(Cl)ncc1C(F)(F)F)c23","affinity_type":"IC50","affinity":"5.00","pmid":"","doi":"10.7270/Q2RJ4Q05"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"700944","smile":"CS(=O)(=O)n1ccc2cccc(Nc3nc(Cl)ncc3Cl)c21","affinity_type":"IC50","affinity":"<1.000","pmid":"","doi":"10.7270/Q2RJ4Q05"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"700945","smile":"CN(c1c(Nc2nc(Cl)ncc2Cl)ccc2nccnc12)S(C)(=O)=O","affinity_type":"IC50","affinity":"3.00","pmid":"","doi":"10.7270/Q2RJ4Q05"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"700946","smile":"CS(=O)(=O)Nc2c(Nc1nc(Cl)ncc1Cl)ccc3nccnc23","affinity_type":"IC50","affinity":"1.000","pmid":"","doi":"10.7270/Q2RJ4Q05"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"700947","smile":"O=S1(=O)CCCN1c1ccccc1Nc1nc(Cl)ncc1Cl","affinity_type":"IC50","affinity":"2.00","pmid":"","doi":"10.7270/Q2RJ4Q05"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"700948","smile":"O=S1(=O)CCCCN1c1ccccc1Nc1nc(Cl)ncc1Cl","affinity_type":"IC50","affinity":"3.00","pmid":"","doi":"10.7270/Q2RJ4Q05"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"700949","smile":"C=CC(=O)Nc1cc(N)c(OC)cc1N(C)CCN1CCN(C)CC1","affinity_type":"IC50","affinity":"1.000","pmid":"","doi":"10.7270/Q2RJ4Q05"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"700950","smile":"C=CC(=O)Nc1cc(N)c(OC)cc1OCCN1CCOCC1","affinity_type":"IC50","affinity":"1.000","pmid":"","doi":"10.7270/Q2RJ4Q05"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"700951","smile":"C=CC(=O)Nc1cc(N)c(OC)cc1OCCN1CCCCC1","affinity_type":"IC50","affinity":"<1.000","pmid":"","doi":"10.7270/Q2RJ4Q05"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"700952","smile":"C=CC(=O)Nc1cc(N)c(OC)cc1N(C)CCN1CCC1","affinity_type":"IC50","affinity":"2.00","pmid":"","doi":"10.7270/Q2RJ4Q05"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"700961","smile":"CC(=O)Nc1cc(C)ccc1Nc1nc(Cl)ncc1Cl","affinity_type":"IC50","affinity":"6.00","pmid":"","doi":"10.7270/Q2RJ4Q05"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"700962","smile":"CC(=O)N(C)c1ccccc1Nc1nc(Cl)ncc1Cl","affinity_type":"IC50","affinity":"5.00","pmid":"","doi":"10.7270/Q2RJ4Q05"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"701456","smile":"COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2cccc3c2N(S(C)(=O)=O)CC3)n1","affinity_type":"IC50","affinity":"1.000","pmid":"","doi":"10.7270/Q29C72Z7"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"701459","smile":"COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2cccc3c2N(S(C)(=O)=O)CCC3)n1","affinity_type":"IC50","affinity":"3.00","pmid":"","doi":"10.7270/Q29C72Z7"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"701471","smile":"COc1cc(N2CCC(N3CCNCC3)CC2)ccc1Nc1ncc(Cl)c(Nc2cccc3c2N(S(C)(=O)=O)CC3)n1","affinity_type":"IC50","affinity":"4.00","pmid":"","doi":"10.7270/Q29C72Z7"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"557849","smile":"C=CC(=O)N1CC(OC2=CC3C(Nc4ccc(Cl)c(Cl)c4)=NC=NC3C=C2OC)C1","affinity_type":"IC50","affinity":"3.20","pmid":"","doi":"10.7270/Q2Z322V4"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"557852","smile":"COc1cc2ncnc(Nc3ccc(Cl)c(Cl)c3F)c2cc1OC1CN(C1)C(=O)C=C","affinity_type":"IC50","affinity":"9.50","pmid":"","doi":"10.7270/Q2Z322V4"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"557865","smile":"COc1cc2ncnc(Nc3ccc(Cl)c(Cl)c3)c2cc1OC1CCN(CC1)C(=O)C=C","affinity_type":"IC50","affinity":"6.50","pmid":"","doi":"10.7270/Q2Z322V4"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"557849","smile":"C=CC(=O)N1CC(OC2=CC3C(Nc4ccc(Cl)c(Cl)c4)=NC=NC3C=C2OC)C1","affinity_type":"IC50","affinity":"9.10","pmid":"","doi":"10.7270/Q2Z322V4"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"50604493","smile":"CCOc1cc2ncnc(Nc3ccc(Oc4cc5nncn5cn4)c(C)c3)c2cc1NC(=O)C(\\F)=C\\[C@H]1CCCN1C","affinity_type":"IC50","affinity":"0.160000","pmid":"35319895","doi":"10.7270/Q2CC14RQ"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"50161957","smile":"CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)\\C=C\\CN(C)C","affinity_type":"IC50","affinity":"4.4","pmid":"35319895","doi":"10.7270/Q2CC14RQ"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"139991","smile":"CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)\\C=C\\[C@H]1CCCN1C |r|","affinity_type":"IC50","affinity":"3.9","pmid":"35319895","doi":"10.7270/Q2CC14RQ"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"5445","smile":"CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1","affinity_type":"Kd","affinity":"7.0","pmid":"","doi":"10.7270/Q2X63K98"},{"query":"Receptor tyrosine-protein kinase 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erbB-2","monomerid":"5445","smile":"CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1","affinity_type":"Kd","affinity":"7","pmid":"18183025","doi":"10.1038/nbt1358"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"50428476","smile":"CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O)C(C)C)[C@@H](C)O)C(C)C","affinity_type":"Kd","affinity":"10","pmid":"23107515","doi":"10.1016/j.ejmech.2012.09.024"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"50357312","smile":"Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CCCN(C1)C(=O)C=C","affinity_type":"Kd","affinity":"1.2","pmid":"32083858","doi":"10.1021/acs.jmedchem.9b01916"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"50175583","smile":"C/C=C/C(=O)N1CCC[C@H]1c2nc(c3n2ccnc3N)c4ccc(cc4)C(=O)Nc5ccccn5","affinity_type":"Kd","affinity":"7.4","pmid":"32083858","doi":"10.1021/acs.jmedchem.9b01916"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"50357312","smile":"Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CCCN(C1)C(=O)C=C","affinity_type":"Kd","affinity":"0.750000","pmid":"35041943","doi":"10.7270/Q2C251FV"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"50607950","smile":"CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)CN(CCN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O)C(C)C)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O","affinity_type":"Kd","affinity":"4.9","pmid":"33226807","doi":"10.7270/Q2B56PZJ"},{"query":"Receptor tyrosine-protein kinase 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erbB-2","monomerid":"50161957","smile":"CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)\\C=C\\CN(C)C","affinity_type":"EC50","affinity":"5.0","pmid":"35439421","doi":"10.7270/Q23F4TPF"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"50322823","smile":"CN(C)C/C=C/C(=O)Nc1cc2c(cc1O[C@H]3CCOC3)ncnc2Nc4ccc(c(c4)Cl)F","affinity_type":"EC50","affinity":"3.0","pmid":"35439421","doi":"10.7270/Q23F4TPF"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"5446","smile":"COCCOc1cc2c(cc1OCCOC)ncnc2Nc3cccc(c3)C#C","affinity_type":"Ki","affinity":"0.100000","pmid":"25383627","doi":"10.1021/jm501578n"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"5446","smile":"COCCOc1cc2c(cc1OCCOC)ncnc2Nc3cccc(c3)C#C","affinity_type":"Ki","affinity":"0.300000","pmid":"25383627","doi":"10.1021/jm501578n"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"50032623","smile":"Cc1cc(nc(n1)N[C@@H](C)CO)Nc2cc(ccn2)NC(=O)c3c(cccc3Cl)Cl","affinity_type":"Ki","affinity":"9.0","pmid":"25383627","doi":"10.1021/jm501578n"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"50141610","smile":"Cn1nccc1-c1nc(Nc2n[nH]c3ccccc23)c2c(n1)C(C)(C)OC2","affinity_type":"Ki","affinity":"<0.500000","pmid":"26639762","doi":"10.1016/j.bmcl.2015.11.078"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"50141610","smile":"Cn1nccc1-c1nc(Nc2n[nH]c3ccccc23)c2c(n1)C(C)(C)OC2","affinity_type":"Ki","affinity":"<0.500000","pmid":"26639762","doi":"10.1016/j.bmcl.2015.11.078"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"50141611","smile":"CC1(C)OCc2c(Nc3n[nH]c4c(Cl)cccc34)nc(-c3cn[nH]c3C(F)F)nc21","affinity_type":"Ki","affinity":"9.0","pmid":"26639762","doi":"10.1016/j.bmcl.2015.11.078"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"50141611","smile":"CC1(C)OCc2c(Nc3n[nH]c4c(Cl)cccc34)nc(-c3cn[nH]c3C(F)F)nc21","affinity_type":"Ki","affinity":"3.4","pmid":"26639762","doi":"10.1016/j.bmcl.2015.11.078"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"50141611","smile":"CC1(C)OCc2c(Nc3n[nH]c4c(Cl)cccc34)nc(-c3cn[nH]c3C(F)F)nc21","affinity_type":"Ki","affinity":"1.7","pmid":"26639762","doi":"10.1016/j.bmcl.2015.11.078"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"50141611","smile":"CC1(C)OCc2c(Nc3n[nH]c4c(Cl)cccc34)nc(-c3cn[nH]c3C(F)F)nc21","affinity_type":"Ki","affinity":"2.5","pmid":"26639762","doi":"10.1016/j.bmcl.2015.11.078"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"50141665","smile":"CC1(C)OCc2c(Nc3n[nH]c4c(F)cccc34)nc(-c3cn[nH]c3)nc21","affinity_type":"Ki","affinity":"3.0","pmid":"26639762","doi":"10.1016/j.bmcl.2015.11.078"},{"query":"Receptor tyrosine-protein kinase 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erbB-2","monomerid":"50029689","smile":"C=CC(=O)Nc1cc(Nc2nccc(-c3c[nH]c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C","affinity_type":"IC50","affinity":"2.0","pmid":"26968253","doi":"10.1016/j.bmcl.2016.02.067"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"50029689","smile":"C=CC(=O)Nc1cc(Nc2nccc(-c3c[nH]c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C","affinity_type":"IC50","affinity":"2.0","pmid":"26968253","doi":"10.1016/j.bmcl.2016.02.067"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"50166941","smile":"COc1cc(ccc1Nc1ncc(SC)c(Oc2cccc(NC(=O)C=C)c2)n1)N1CCN(C)CC1","affinity_type":"IC50","affinity":"0.400000","pmid":"27131639","doi":"10.1016/j.bmc.2016.04.032"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"50166942","smile":"COc1cc(ccc1Nc1ncc(SC)c(Oc2cccc(NC(=O)C=C)c2)n1)N1CCN(CC1)C(C)=O","affinity_type":"IC50","affinity":"0.700000","pmid":"27131639","doi":"10.1016/j.bmc.2016.04.032"},{"query":"Receptor tyrosine-protein kinase 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erbB-2","monomerid":"50177856","smile":"CN1CCC(CC1)n1cc(cn1)-c1cnc(N)c(n1)-c1nc2ccccc2n1Cc1ccccc1NC(=O)C=C","affinity_type":"EC50","affinity":"7.0","pmid":"27190603","doi":"10.1021/acsmedchemlett.6b00058"},{"query":"Receptor tyrosine-protein kinase erbB-2","monomerid":"50177908","smile":"CCN1CCC(CC1)n1cc(cn1)-c1cnc(N)c(n1)-c1nc2ccccc2n1-c1cccc(NC(=O)C=C)c1","affinity_type":"EC50","affinity":"9.0","pmid":"27190603","doi":"10.1021/acsmedchemlett.6b00058"}]}}