{"activities":[{"action_type":null,"activity_comment":null,"activity_id":1043415,"activity_properties":[],"assay_chembl_id":"CHEMBL683040","assay_description":"Inhibition of tyrosine kinase activity of Epidermal growth factor receptor from human A431 carcinoma cells","assay_type":"B","assay_variant_accession":null,"assay_variant_mutation":null,"bao_format":"BAO_0000219","bao_label":"cell-based format","canonical_smiles":"Cn1cnc2cc3ncnc(Nc4cccc(Br)c4)c3cc21","data_validity_comment":null,"data_validity_description":null,"document_chembl_id":"CHEMBL1129035","document_journal":"J Med Chem","document_year":1996,"ligand_efficiency":{"bei":"31.06","le":"0.68","lle":"6.98","sei":"19.77"},"modality":null,"molecule_chembl_id":"CHEMBL176582","molecule_pref_name":null,"parent_molecule_chembl_id":"CHEMBL176582","pchembl_value":"11.00","potential_duplicate":0,"qudt_units":"http://www.openphacts.org/units/Nanomolar","record_id":341620,"relation":"=","src_id":1,"standard_flag":1,"standard_relation":"=","standard_text_value":null,"standard_type":"IC50","standard_units":"nM","standard_upper_value":null,"standard_value":"0.01","target_chembl_id":"CHEMBL203","target_organism":"Homo sapiens","target_pref_name":"Epidermal growth factor receptor","target_tax_id":"9606","text_value":null,"toid":null,"type":"IC50","units":"nM","uo_units":"UO_0000065","upper_value":null,"value":"0.01"},{"action_type":{"action_type":"INHIBITOR","description":"Negatively effects (inhibits) the normal functioning of the protein e.g., prevention of enzymatic reaction or activation of downstream pathway","parent_type":"NEGATIVE MODULATOR"},"activity_comment":null,"activity_id":29113767,"activity_properties":[],"assay_chembl_id":"CHEMBL6089387","assay_description":"Inhibition of wild type EGFR (unknown origin)","assay_type":"B","assay_variant_accession":null,"assay_variant_mutation":null,"bao_format":"BAO_0000357","bao_label":"single protein format","canonical_smiles":"COc1cc(N2CCC(N(C)C)CC2)ccc1Nc1ncc(C(=O)Oc2ccccc2)c(-c2c[nH]c3ccccc23)n1","data_validity_comment":null,"data_validity_description":null,"document_chembl_id":"CHEMBL6087440","document_journal":"Eur J Med Chem","document_year":2025,"ligand_efficiency":{"bei":"19.55","le":"0.36","lle":"4.87","sei":"11.51"},"modality":null,"molecule_chembl_id":"CHEMBL5270693","molecule_pref_name":null,"parent_molecule_chembl_id":"CHEMBL5270693","pchembl_value":"11.00","potential_duplicate":0,"qudt_units":"http://www.openphacts.org/units/Nanomolar","record_id":4670869,"relation":"=","src_id":1,"standard_flag":1,"standard_relation":"=","standard_text_value":null,"standard_type":"IC50","standard_units":"nM","standard_upper_value":null,"standard_value":"0.01","target_chembl_id":"CHEMBL203","target_organism":"Homo sapiens","target_pref_name":"Epidermal growth factor receptor","target_tax_id":"9606","text_value":null,"toid":null,"type":"IC50","units":"nM","uo_units":"UO_0000065","upper_value":null,"value":"0.01"},{"action_type":{"action_type":"INHIBITOR","description":"Negatively effects (inhibits) the normal functioning of the protein e.g., prevention of enzymatic reaction or activation of downstream pathway","parent_type":"NEGATIVE MODULATOR"},"activity_comment":null,"activity_id":25098086,"activity_properties":[{"comments":null,"relation":"=","result_flag":0,"standard_relation":"=","standard_text_value":null,"standard_type":"TIME","standard_units":"hr","standard_value":"0.75","text_value":null,"type":"TIME","units":"min","value":"45.0"}],"assay_chembl_id":"CHEMBL5260456","assay_description":"Inhibition of EGFR L858R mutant (unknown origin) using TK-substrate preincubated with enzyme for 30 mins followed by substrate and ATP addition for 15 mins by HTRF assay","assay_type":"B","assay_variant_accession":"P00533","assay_variant_mutation":"L858R","bao_format":"BAO_0000357","bao_label":"single protein format","canonical_smiles":"C=CC(=O)Nc1cc(Nc2ncc(C(=O)OC(C)C)c(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C","data_validity_comment":null,"data_validity_description":null,"document_chembl_id":"CHEMBL5257147","document_journal":"ACS Med Chem Lett","document_year":2023,"ligand_efficiency":{"bei":"18.78","le":"0.35","lle":"5.92","sei":"9.66"},"modality":null,"molecule_chembl_id":"CHEMBL4650319","molecule_pref_name":"MOBOCERTINIB","parent_molecule_chembl_id":"CHEMBL4650319","pchembl_value":"11.00","potential_duplicate":0,"qudt_units":"http://www.openphacts.org/units/Nanomolar","record_id":3935692,"relation":"=","src_id":1,"standard_flag":1,"standard_relation":"=","standard_text_value":null,"standard_type":"IC50","standard_units":"nM","standard_upper_value":null,"standard_value":"0.01","target_chembl_id":"CHEMBL203","target_organism":"Homo sapiens","target_pref_name":"Epidermal growth factor receptor","target_tax_id":"9606","text_value":null,"toid":null,"type":"IC50","units":"nM","uo_units":"UO_0000065","upper_value":null,"value":"0.01"},{"action_type":null,"activity_comment":"1055477","activity_id":28394591,"activity_properties":[],"assay_chembl_id":"CHEMBL5736969","assay_description":"Kinase Assay: Buffer formulation: a buffer consisted of 50 mM HEPES (pH 7.5), 0.01% BSA, 5 mM MgCl2, 0.1 mM Orthovanadate. After the buffer was formulated, an enzyme and a substrate were mixed with pre-diluted compounds of varying concentrations, and placed at room temperature for 15 minutes. The reaction was initiated by adding ATP and incubated at room temperature for 60 minutes (wherein negative and positive controls were set up). The 10 μL reaction system consisted of a 2.5 μL compound, a 5 μL mixture of enzyme and substrate, and 2.5 μL ATP. After the reaction was complete, antibodies were added to test, the detection was performed with Evnvision after incubation at room temperature for 60 minutes, and data were collected. Data analysis and simulation were performed using XLfit5 software.","assay_type":"B","assay_variant_accession":null,"assay_variant_mutation":null,"bao_format":"BAO_0000357","bao_label":"single protein format","canonical_smiles":"COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1N1CC2(CN(C)C2)OC1=O","data_validity_comment":null,"data_validity_description":null,"document_chembl_id":"CHEMBL5728542","document_journal":null,"document_year":2021,"ligand_efficiency":{"bei":"24.32","le":"0.48","lle":"6.98","sei":"13.53"},"modality":null,"molecule_chembl_id":"CHEMBL5790648","molecule_pref_name":null,"parent_molecule_chembl_id":"CHEMBL5790648","pchembl_value":"10.80","potential_duplicate":0,"qudt_units":"http://www.openphacts.org/units/Nanomolar","record_id":4507914,"relation":"=","src_id":37,"standard_flag":1,"standard_relation":"=","standard_text_value":null,"standard_type":"IC50","standard_units":"nM","standard_upper_value":null,"standard_value":"0.016","target_chembl_id":"CHEMBL203","target_organism":"Homo sapiens","target_pref_name":"Epidermal growth factor receptor","target_tax_id":"9606","text_value":null,"toid":null,"type":"IC50","units":"nM","uo_units":"UO_0000065","upper_value":null,"value":"0.016"},{"action_type":null,"activity_comment":"1055475","activity_id":28394585,"activity_properties":[],"assay_chembl_id":"CHEMBL5736969","assay_description":"Kinase Assay: Buffer formulation: a buffer consisted of 50 mM HEPES (pH 7.5), 0.01% BSA, 5 mM MgCl2, 0.1 mM Orthovanadate. After the buffer was formulated, an enzyme and a substrate were mixed with pre-diluted compounds of varying concentrations, and placed at room temperature for 15 minutes. The reaction was initiated by adding ATP and incubated at room temperature for 60 minutes (wherein negative and positive controls were set up). The 10 μL reaction system consisted of a 2.5 μL compound, a 5 μL mixture of enzyme and substrate, and 2.5 μL ATP. After the reaction was complete, antibodies were added to test, the detection was performed with Evnvision after incubation at room temperature for 60 minutes, and data were collected. Data analysis and simulation were performed using XLfit5 software.","assay_type":"B","assay_variant_accession":null,"assay_variant_mutation":null,"bao_format":"BAO_0000357","bao_label":"single protein format","canonical_smiles":"CN1CCC2(CC1)CN(c1ccc3ncnc(Nc4cccc(Cl)c4F)c3c1)C(=O)O2","data_validity_comment":null,"data_validity_description":null,"document_chembl_id":"CHEMBL5728542","document_journal":null,"document_year":2021,"ligand_efficiency":{"bei":"24.37","le":"0.47","lle":"6.18","sei":"15.26"},"modality":null,"molecule_chembl_id":"CHEMBL5746224","molecule_pref_name":null,"parent_molecule_chembl_id":"CHEMBL5746224","pchembl_value":"10.77","potential_duplicate":0,"qudt_units":"http://www.openphacts.org/units/Nanomolar","record_id":4507913,"relation":"=","src_id":37,"standard_flag":1,"standard_relation":"=","standard_text_value":null,"standard_type":"IC50","standard_units":"nM","standard_upper_value":null,"standard_value":"0.017","target_chembl_id":"CHEMBL203","target_organism":"Homo sapiens","target_pref_name":"Epidermal growth factor receptor","target_tax_id":"9606","text_value":null,"toid":null,"type":"IC50","units":"nM","uo_units":"UO_0000065","upper_value":null,"value":"0.017"},{"action_type":{"action_type":"INHIBITOR","description":"Negatively effects (inhibits) the normal functioning of the protein e.g., prevention of enzymatic reaction or activation of downstream pathway","parent_type":"NEGATIVE MODULATOR"},"activity_comment":null,"activity_id":29113771,"activity_properties":[],"assay_chembl_id":"CHEMBL6089387","assay_description":"Inhibition of wild type EGFR (unknown origin)","assay_type":"B","assay_variant_accession":null,"assay_variant_mutation":null,"bao_format":"BAO_0000357","bao_label":"single protein format","canonical_smiles":"C=CC(=O)Nc1cc(Nc2ncc(C(=O)OC(C)C)c(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C","data_validity_comment":null,"data_validity_description":null,"document_chembl_id":"CHEMBL6087440","document_journal":"Eur J Med Chem","document_year":2025,"ligand_efficiency":{"bei":"18.27","le":"0.34","lle":"5.62","sei":"9.40"},"modality":null,"molecule_chembl_id":"CHEMBL4650319","molecule_pref_name":"MOBOCERTINIB","parent_molecule_chembl_id":"CHEMBL4650319","pchembl_value":"10.70","potential_duplicate":0,"qudt_units":"http://www.openphacts.org/units/Nanomolar","record_id":4670873,"relation":"=","src_id":1,"standard_flag":1,"standard_relation":"=","standard_text_value":null,"standard_type":"IC50","standard_units":"nM","standard_upper_value":null,"standard_value":"0.02","target_chembl_id":"CHEMBL203","target_organism":"Homo sapiens","target_pref_name":"Epidermal growth factor receptor","target_tax_id":"9606","text_value":null,"toid":null,"type":"IC50","units":"nM","uo_units":"UO_0000065","upper_value":null,"value":"0.02"},{"action_type":{"action_type":"INHIBITOR","description":"Negatively effects (inhibits) the normal functioning of the protein e.g., prevention of enzymatic reaction or activation of downstream pathway","parent_type":"NEGATIVE MODULATOR"},"activity_comment":null,"activity_id":25098093,"activity_properties":[{"comments":null,"relation":"=","result_flag":0,"standard_relation":"=","standard_text_value":null,"standard_type":"TIME","standard_units":"hr","standard_value":"0.8333","text_value":null,"type":"TIME","units":"min","value":"50.0"}],"assay_chembl_id":"CHEMBL5260457","assay_description":"Inhibition of EGFR L858R/C797S mutant (unknown origin) using TK-substrate preincubated with enzyme for 30 mins followed by substrate and ATP addition for 20 mins by HTRF assay","assay_type":"B","assay_variant_accession":"P00533","assay_variant_mutation":"C797S,L858R","bao_format":"BAO_0000357","bao_label":"single protein format","canonical_smiles":"COc1cc(N2CCC(N(C)C)CC2)ccc1Nc1ncc(C(=O)Oc2ccccc2)c(-c2c[nH]c3ccccc23)n1","data_validity_comment":null,"data_validity_description":null,"document_chembl_id":"CHEMBL5257147","document_journal":"ACS Med Chem Lett","document_year":2023,"ligand_efficiency":{"bei":"19.01","le":"0.35","lle":"4.57","sei":"11.19"},"modality":null,"molecule_chembl_id":"CHEMBL5270693","molecule_pref_name":null,"parent_molecule_chembl_id":"CHEMBL5270693","pchembl_value":"10.70","potential_duplicate":0,"qudt_units":"http://www.openphacts.org/units/Nanomolar","record_id":3935701,"relation":"=","src_id":1,"standard_flag":1,"standard_relation":"=","standard_text_value":null,"standard_type":"IC50","standard_units":"nM","standard_upper_value":null,"standard_value":"0.02","target_chembl_id":"CHEMBL203","target_organism":"Homo sapiens","target_pref_name":"Epidermal growth factor receptor","target_tax_id":"9606","text_value":null,"toid":null,"type":"IC50","units":"nM","uo_units":"UO_0000065","upper_value":null,"value":"0.02"},{"action_type":{"action_type":"INHIBITOR","description":"Negatively effects (inhibits) the normal functioning of the protein e.g., prevention of enzymatic reaction or activation of downstream pathway","parent_type":"NEGATIVE MODULATOR"},"activity_comment":null,"activity_id":22408226,"activity_properties":[{"comments":null,"relation":"=","result_flag":0,"standard_relation":"=","standard_text_value":null,"standard_type":"TIME","standard_units":"hr","standard_value":"0.8333","text_value":null,"type":"Time","units":"min","value":"50.0"}],"assay_chembl_id":"CHEMBL4670929","assay_description":"Inhibition of human N-terminal GST-tagged EGFR L858R/T790M mutant (669 to 1210 residues) expressed in baculovirus infected Sf9 insect cells using TK as substrate preincubated for 30 mins followed by substrate addition and measured after 20 mins by HTRF assay","assay_type":"B","assay_variant_accession":"P00533","assay_variant_mutation":"L858R,T790M","bao_format":"BAO_0000219","bao_label":"cell-based format","canonical_smiles":"C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C","data_validity_comment":null,"data_validity_description":null,"document_chembl_id":"CHEMBL4665812","document_journal":"J Med Chem","document_year":2020,"ligand_efficiency":{"bei":"21.41","le":"0.39","lle":"6.19","sei":"12.22"},"modality":null,"molecule_chembl_id":"CHEMBL3353410","molecule_pref_name":"OSIMERTINIB","parent_molecule_chembl_id":"CHEMBL3353410","pchembl_value":"10.70","potential_duplicate":0,"qudt_units":"http://www.openphacts.org/units/Nanomolar","record_id":3510976,"relation":"=","src_id":1,"standard_flag":1,"standard_relation":"=","standard_text_value":null,"standard_type":"IC50","standard_units":"nM","standard_upper_value":null,"standard_value":"0.02","target_chembl_id":"CHEMBL203","target_organism":"Homo sapiens","target_pref_name":"Epidermal growth factor receptor","target_tax_id":"9606","text_value":null,"toid":null,"type":"IC50","units":"nM","uo_units":"UO_0000065","upper_value":null,"value":"0.02"},{"action_type":{"action_type":"INHIBITOR","description":"Negatively effects (inhibits) the normal functioning of the protein e.g., prevention of enzymatic reaction or activation of downstream pathway","parent_type":"NEGATIVE MODULATOR"},"activity_comment":null,"activity_id":24871226,"activity_properties":[{"comments":null,"relation":"=","result_flag":0,"standard_relation":"=","standard_text_value":null,"standard_type":"TIME","standard_units":"hr","standard_value":"1.0","text_value":null,"type":"Time","units":"min","value":"60.0"}],"assay_chembl_id":"CHEMBL5153037","assay_description":"Inhibition of EGFR (unknown origin) L858R/T790M mutant preincubated with compound 30 mins followed ATP addition incubated for 30 mins by HTRF KinEASE TK assay","assay_type":"B","assay_variant_accession":"P00533","assay_variant_mutation":"L858R,T790M","bao_format":"BAO_0000357","bao_label":"single protein format","canonical_smiles":"Cc1cc2cc(n1)-c1cnn(C)c1OCCC[C@@H](C)CN1/C(=N/C2=O)Nc2ccc(CN3CCN(C)CC3)cc21","data_validity_comment":null,"data_validity_description":null,"document_chembl_id":"CHEMBL5150044","document_journal":"J Med Chem","document_year":2022,"ligand_efficiency":{"bei":"19.71","le":"0.37","lle":"6.93","sei":"11.74"},"modality":null,"molecule_chembl_id":"CHEMBL4537790","molecule_pref_name":null,"parent_molecule_chembl_id":"CHEMBL4537790","pchembl_value":"10.70","potential_duplicate":0,"qudt_units":"http://www.openphacts.org/units/Nanomolar","record_id":3886692,"relation":"=","src_id":1,"standard_flag":1,"standard_relation":"=","standard_text_value":null,"standard_type":"IC50","standard_units":"nM","standard_upper_value":null,"standard_value":"0.02","target_chembl_id":"CHEMBL203","target_organism":"Homo sapiens","target_pref_name":"Epidermal growth factor receptor","target_tax_id":"9606","text_value":null,"toid":null,"type":"IC50","units":"nM","uo_units":"UO_0000065","upper_value":null,"value":"0.02"},{"action_type":{"action_type":"INHIBITOR","description":"Negatively effects (inhibits) the normal functioning of the protein e.g., prevention of enzymatic reaction or activation of downstream pathway","parent_type":"NEGATIVE MODULATOR"},"activity_comment":null,"activity_id":22408231,"activity_properties":[{"comments":null,"relation":"=","result_flag":0,"standard_relation":"=","standard_text_value":null,"standard_type":"TIME","standard_units":"hr","standard_value":"0.75","text_value":null,"type":"Time","units":"min","value":"45.0"}],"assay_chembl_id":"CHEMBL4670930","assay_description":"Inhibition of human N-terminal GST-tagged EGFR L858R mutant (669 to 1210 residues) expressed in baculovirus infected Sf9 insect cells using TK as substrate preincubated for 30 mins followed by substrate addition and measured after 15 mins by HTRF assay","assay_type":"B","assay_variant_accession":"P00533","assay_variant_mutation":"L858R","bao_format":"BAO_0000219","bao_label":"cell-based format","canonical_smiles":"CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)/C=C/CN(C)C","data_validity_comment":null,"data_validity_description":null,"document_chembl_id":"CHEMBL4665812","document_journal":"J Med Chem","document_year":2020,"ligand_efficiency":{"bei":"19.21","le":"0.37","lle":"4.77","sei":"9.52"},"modality":null,"molecule_chembl_id":"CHEMBL180022","molecule_pref_name":"NERATINIB","parent_molecule_chembl_id":"CHEMBL180022","pchembl_value":"10.70","potential_duplicate":0,"qudt_units":"http://www.openphacts.org/units/Nanomolar","record_id":3510970,"relation":"=","src_id":1,"standard_flag":1,"standard_relation":"=","standard_text_value":null,"standard_type":"IC50","standard_units":"nM","standard_upper_value":null,"standard_value":"0.02","target_chembl_id":"CHEMBL203","target_organism":"Homo sapiens","target_pref_name":"Epidermal growth factor receptor","target_tax_id":"9606","text_value":null,"toid":null,"type":"IC50","units":"nM","uo_units":"UO_0000065","upper_value":null,"value":"0.02"},{"action_type":null,"activity_comment":"1055469","activity_id":28394567,"activity_properties":[],"assay_chembl_id":"CHEMBL5736967","assay_description":"Kinase Assay: Buffer formulation: a buffer consisted of 50 mM HEPES (pH 7.5), 0.01% BSA, 5 mM MgCl2, 0.1 mM Orthovanadate. After the buffer was formulated, an enzyme and a substrate were mixed with pre-diluted compounds of varying concentrations, and placed at room temperature for 15 minutes. The reaction was initiated by adding ATP and incubated at room temperature for 60 minutes (wherein negative and positive controls were set up). The 10 μL reaction system consisted of a 2.5 μL compound, a 5 μL mixture of enzyme and substrate, and 2.5 μL ATP. After the reaction was complete, antibodies were added to test, the detection was performed with Evnvision after incubation at room temperature for 60 minutes, and data were collected. Data analysis and simulation were performed using XLfit5 software.","assay_type":"B","assay_variant_accession":null,"assay_variant_mutation":null,"bao_format":"BAO_0000357","bao_label":"single protein format","canonical_smiles":"COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1N1CC2(CCN(C)CC2)OC1=O","data_validity_comment":null,"data_validity_description":null,"document_chembl_id":"CHEMBL5728542","document_journal":null,"document_year":2021,"ligand_efficiency":{"bei":"22.67","le":"0.44","lle":"6.10","sei":"13.40"},"modality":null,"molecule_chembl_id":"CHEMBL5997498","molecule_pref_name":null,"parent_molecule_chembl_id":"CHEMBL5997498","pchembl_value":"10.70","potential_duplicate":0,"qudt_units":"http://www.openphacts.org/units/Nanomolar","record_id":4507910,"relation":"=","src_id":37,"standard_flag":1,"standard_relation":"=","standard_text_value":null,"standard_type":"IC50","standard_units":"nM","standard_upper_value":null,"standard_value":"0.02","target_chembl_id":"CHEMBL203","target_organism":"Homo sapiens","target_pref_name":"Epidermal growth factor receptor","target_tax_id":"9606","text_value":null,"toid":null,"type":"IC50","units":"nM","uo_units":"UO_0000065","upper_value":null,"value":"0.02"},{"action_type":{"action_type":"INHIBITOR","description":"Negatively effects (inhibits) the normal functioning of the protein e.g., prevention of enzymatic reaction or activation of downstream pathway","parent_type":"NEGATIVE MODULATOR"},"activity_comment":null,"activity_id":22408239,"activity_properties":[{"comments":null,"relation":"=","result_flag":0,"standard_relation":"=","standard_text_value":null,"standard_type":"TIME","standard_units":"hr","standard_value":"0.9167","text_value":null,"type":"Time","units":"min","value":"55.0"}],"assay_chembl_id":"CHEMBL4670931","assay_description":"Inhibition of human N-terminal GST-tagged EGFR (669 to 1210 residues) expressed in baculovirus infected Sf9 insect cells using TK as substrate preincubated for 30 mins followed by substrate addition and measured after 25 mins by HTRF assay","assay_type":"B","assay_variant_accession":null,"assay_variant_mutation":null,"bao_format":"BAO_0000219","bao_label":"cell-based format","canonical_smiles":"CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)/C=C/CN(C)C","data_validity_comment":null,"data_validity_description":null,"document_chembl_id":"CHEMBL4665812","document_journal":"J Med Chem","document_year":2020,"ligand_efficiency":{"bei":"19.21","le":"0.37","lle":"4.77","sei":"9.52"},"modality":null,"molecule_chembl_id":"CHEMBL180022","molecule_pref_name":"NERATINIB","parent_molecule_chembl_id":"CHEMBL180022","pchembl_value":"10.70","potential_duplicate":0,"qudt_units":"http://www.openphacts.org/units/Nanomolar","record_id":3510970,"relation":"=","src_id":1,"standard_flag":1,"standard_relation":"=","standard_text_value":null,"standard_type":"IC50","standard_units":"nM","standard_upper_value":null,"standard_value":"0.02","target_chembl_id":"CHEMBL203","target_organism":"Homo sapiens","target_pref_name":"Epidermal growth factor receptor","target_tax_id":"9606","text_value":null,"toid":null,"type":"IC50","units":"nM","uo_units":"UO_0000065","upper_value":null,"value":"0.02"},{"action_type":null,"activity_comment":"1055485","activity_id":28394615,"activity_properties":[],"assay_chembl_id":"CHEMBL5736969","assay_description":"Kinase Assay: Buffer formulation: a buffer consisted of 50 mM HEPES (pH 7.5), 0.01% BSA, 5 mM MgCl2, 0.1 mM Orthovanadate. After the buffer was formulated, an enzyme and a substrate were mixed with pre-diluted compounds of varying concentrations, and placed at room temperature for 15 minutes. The reaction was initiated by adding ATP and incubated at room temperature for 60 minutes (wherein negative and positive controls were set up). The 10 μL reaction system consisted of a 2.5 μL compound, a 5 μL mixture of enzyme and substrate, and 2.5 μL ATP. After the reaction was complete, antibodies were added to test, the detection was performed with Evnvision after incubation at room temperature for 60 minutes, and data were collected. Data analysis and simulation were performed using XLfit5 software.","assay_type":"B","assay_variant_accession":null,"assay_variant_mutation":null,"bao_format":"BAO_0000357","bao_label":"single protein format","canonical_smiles":"CCCN1CC2(C1)CN(c1cc3c(Nc4cccc(Cl)c4F)ncnc3cc1OC)C(=O)O2","data_validity_comment":null,"data_validity_description":null,"document_chembl_id":"CHEMBL5728542","document_journal":null,"document_year":2021,"ligand_efficiency":{"bei":"22.63","le":"0.44","lle":"6.08","sei":"13.38"},"modality":null,"molecule_chembl_id":"CHEMBL6054692","molecule_pref_name":null,"parent_molecule_chembl_id":"CHEMBL6054692","pchembl_value":"10.68","potential_duplicate":0,"qudt_units":"http://www.openphacts.org/units/Nanomolar","record_id":4507918,"relation":"=","src_id":37,"standard_flag":1,"standard_relation":"=","standard_text_value":null,"standard_type":"IC50","standard_units":"nM","standard_upper_value":null,"standard_value":"0.021","target_chembl_id":"CHEMBL203","target_organism":"Homo sapiens","target_pref_name":"Epidermal growth factor receptor","target_tax_id":"9606","text_value":null,"toid":null,"type":"IC50","units":"nM","uo_units":"UO_0000065","upper_value":null,"value":"0.021"},{"action_type":null,"activity_comment":"1055483","activity_id":28394609,"activity_properties":[],"assay_chembl_id":"CHEMBL5736969","assay_description":"Kinase Assay: Buffer formulation: a buffer consisted of 50 mM HEPES (pH 7.5), 0.01% BSA, 5 mM MgCl2, 0.1 mM Orthovanadate. After the buffer was formulated, an enzyme and a substrate were mixed with pre-diluted compounds of varying concentrations, and placed at room temperature for 15 minutes. The reaction was initiated by adding ATP and incubated at room temperature for 60 minutes (wherein negative and positive controls were set up). The 10 μL reaction system consisted of a 2.5 μL compound, a 5 μL mixture of enzyme and substrate, and 2.5 μL ATP. After the reaction was complete, antibodies were added to test, the detection was performed with Evnvision after incubation at room temperature for 60 minutes, and data were collected. Data analysis and simulation were performed using XLfit5 software.","assay_type":"B","assay_variant_accession":null,"assay_variant_mutation":null,"bao_format":"BAO_0000357","bao_label":"single protein format","canonical_smiles":"CCN1CC2(C1)CN(c1cc3c(Nc4cccc(Cl)c4F)ncnc3cc1OC)C(=O)O2","data_validity_comment":null,"data_validity_description":null,"document_chembl_id":"CHEMBL5728542","document_journal":null,"document_year":2021,"ligand_efficiency":{"bei":"23.28","le":"0.45","lle":"6.45","sei":"13.35"},"modality":null,"molecule_chembl_id":"CHEMBL5968640","molecule_pref_name":null,"parent_molecule_chembl_id":"CHEMBL5968640","pchembl_value":"10.66","potential_duplicate":0,"qudt_units":"http://www.openphacts.org/units/Nanomolar","record_id":4507917,"relation":"=","src_id":37,"standard_flag":1,"standard_relation":"=","standard_text_value":null,"standard_type":"IC50","standard_units":"nM","standard_upper_value":null,"standard_value":"0.022","target_chembl_id":"CHEMBL203","target_organism":"Homo sapiens","target_pref_name":"Epidermal growth factor receptor","target_tax_id":"9606","text_value":null,"toid":null,"type":"IC50","units":"nM","uo_units":"UO_0000065","upper_value":null,"value":"0.022"},{"action_type":{"action_type":"INHIBITOR","description":"Negatively effects (inhibits) the normal functioning of the protein e.g., prevention of enzymatic reaction or activation of downstream pathway","parent_type":"NEGATIVE MODULATOR"},"activity_comment":null,"activity_id":25098080,"activity_properties":[{"comments":null,"relation":"=","result_flag":0,"standard_relation":"=","standard_text_value":null,"standard_type":"TIME","standard_units":"hr","standard_value":"0.9167","text_value":null,"type":"TIME","units":"min","value":"55.0"}],"assay_chembl_id":"CHEMBL5260455","assay_description":"Inhibition of wild type EGFR (unknown origin) using TK-substrate preincubated with enzyme for 30 mins followed by substrate and ATP addition for 25 mins by HTRF assay","assay_type":"B","assay_variant_accession":null,"assay_variant_mutation":null,"bao_format":"BAO_0000357","bao_label":"single protein format","canonical_smiles":"C=CC(=O)Nc1cc(Nc2ncc(C(=O)OC(C)C)c(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C","data_validity_comment":null,"data_validity_description":null,"document_chembl_id":"CHEMBL5257147","document_journal":"ACS Med Chem Lett","document_year":2023,"ligand_efficiency":{"bei":"18.10","le":"0.34","lle":"5.52","sei":"9.31"},"modality":null,"molecule_chembl_id":"CHEMBL4650319","molecule_pref_name":"MOBOCERTINIB","parent_molecule_chembl_id":"CHEMBL4650319","pchembl_value":"10.60","potential_duplicate":0,"qudt_units":"http://www.openphacts.org/units/Nanomolar","record_id":3935692,"relation":"=","src_id":1,"standard_flag":1,"standard_relation":"=","standard_text_value":null,"standard_type":"IC50","standard_units":"nM","standard_upper_value":null,"standard_value":"0.025","target_chembl_id":"CHEMBL203","target_organism":"Homo sapiens","target_pref_name":"Epidermal growth factor receptor","target_tax_id":"9606","text_value":null,"toid":null,"type":"IC50","units":"nM","uo_units":"UO_0000065","upper_value":null,"value":"0.025"},{"action_type":null,"activity_comment":null,"activity_id":2137367,"activity_properties":[],"assay_chembl_id":"CHEMBL940057","assay_description":"Inhibition of EGFR","assay_type":"B","assay_variant_accession":null,"assay_variant_mutation":null,"bao_format":"BAO_0000357","bao_label":"single protein format","canonical_smiles":"COc1cc2ncnc(Nc3cccc(Br)c3)c2cc1OC","data_validity_comment":null,"data_validity_description":null,"document_chembl_id":"CHEMBL1145498","document_journal":"Proc Natl Acad Sci U S A","document_year":2007,"ligand_efficiency":{"bei":"29.43","le":"0.66","lle":"6.45","sei":"18.84"},"modality":null,"molecule_chembl_id":"CHEMBL29197","molecule_pref_name":null,"parent_molecule_chembl_id":"CHEMBL29197","pchembl_value":"10.60","potential_duplicate":1,"qudt_units":"http://www.openphacts.org/units/Nanomolar","record_id":705271,"relation":"=","src_id":1,"standard_flag":1,"standard_relation":"=","standard_text_value":null,"standard_type":"IC50","standard_units":"nM","standard_upper_value":null,"standard_value":"0.025","target_chembl_id":"CHEMBL203","target_organism":"Homo sapiens","target_pref_name":"Epidermal growth factor receptor","target_tax_id":"9606","text_value":null,"toid":null,"type":"IC50","units":"pM","uo_units":"UO_0000065","upper_value":null,"value":"25.0"},{"action_type":null,"activity_comment":null,"activity_id":2612356,"activity_properties":[],"assay_chembl_id":"CHEMBL1016812","assay_description":"Inhibition of EGFR","assay_type":"B","assay_variant_accession":null,"assay_variant_mutation":null,"bao_format":"BAO_0000357","bao_label":"single protein format","canonical_smiles":"COc1cc2ncnc(Nc3cccc(Br)c3)c2cc1OC","data_validity_comment":null,"data_validity_description":null,"document_chembl_id":"CHEMBL1152829","document_journal":"Eur J Med Chem","document_year":2009,"ligand_efficiency":{"bei":"29.43","le":"0.66","lle":"6.45","sei":"18.84"},"modality":null,"molecule_chembl_id":"CHEMBL29197","molecule_pref_name":null,"parent_molecule_chembl_id":"CHEMBL29197","pchembl_value":"10.60","potential_duplicate":1,"qudt_units":"http://www.openphacts.org/units/Nanomolar","record_id":731947,"relation":"=","src_id":1,"standard_flag":1,"standard_relation":"=","standard_text_value":null,"standard_type":"IC50","standard_units":"nM","standard_upper_value":null,"standard_value":"0.025","target_chembl_id":"CHEMBL203","target_organism":"Homo sapiens","target_pref_name":"Epidermal growth factor receptor","target_tax_id":"9606","text_value":null,"toid":null,"type":"IC50","units":"nM","uo_units":"UO_0000065","upper_value":null,"value":"0.025"},{"action_type":null,"activity_comment":null,"activity_id":16589236,"activity_properties":[],"assay_chembl_id":"CHEMBL3807185","assay_description":"Competitive binding affinity to EGFR (unknown origin) ATP binding site","assay_type":"B","assay_variant_accession":null,"assay_variant_mutation":null,"bao_format":"BAO_0000357","bao_label":"single protein format","canonical_smiles":"COc1cc2ncnc(Nc3cccc(Br)c3)c2cc1OC","data_validity_comment":null,"data_validity_description":null,"document_chembl_id":"CHEMBL3804755","document_journal":"Bioorg Med Chem","document_year":2016,"ligand_efficiency":{"bei":"29.43","le":"0.66","lle":"6.45","sei":"18.84"},"modality":null,"molecule_chembl_id":"CHEMBL29197","molecule_pref_name":null,"parent_molecule_chembl_id":"CHEMBL29197","pchembl_value":"10.60","potential_duplicate":1,"qudt_units":"http://www.openphacts.org/units/Nanomolar","record_id":2777455,"relation":"=","src_id":1,"standard_flag":1,"standard_relation":"=","standard_text_value":null,"standard_type":"IC50","standard_units":"nM","standard_upper_value":null,"standard_value":"0.025","target_chembl_id":"CHEMBL203","target_organism":"Homo sapiens","target_pref_name":"Epidermal growth factor receptor","target_tax_id":"9606","text_value":null,"toid":null,"type":"IC50","units":"nM","uo_units":"UO_0000065","upper_value":null,"value":"0.025"},{"action_type":{"action_type":"INHIBITOR","description":"Negatively effects (inhibits) the normal functioning of the protein e.g., prevention of enzymatic reaction or activation of downstream pathway","parent_type":"NEGATIVE MODULATOR"},"activity_comment":null,"activity_id":29313803,"activity_properties":[],"assay_chembl_id":"CHEMBL6184543","assay_description":"Inhibition of EGFR (unknown origin)","assay_type":"B","assay_variant_accession":null,"assay_variant_mutation":null,"bao_format":"BAO_0000357","bao_label":"single protein format","canonical_smiles":"COc1cc2ncnc(Nc3cccc(Br)c3)c2cc1OC","data_validity_comment":null,"data_validity_description":null,"document_chembl_id":"CHEMBL6182879","document_journal":"Bioorg Med Chem Lett","document_year":2025,"ligand_efficiency":{"bei":"29.43","le":"0.66","lle":"6.45","sei":"18.84"},"modality":null,"molecule_chembl_id":"CHEMBL29197","molecule_pref_name":null,"parent_molecule_chembl_id":"CHEMBL29197","pchembl_value":"10.60","potential_duplicate":1,"qudt_units":"http://www.openphacts.org/units/Nanomolar","record_id":4708534,"relation":"=","src_id":1,"standard_flag":1,"standard_relation":"=","standard_text_value":null,"standard_type":"IC50","standard_units":"nM","standard_upper_value":null,"standard_value":"0.025","target_chembl_id":"CHEMBL203","target_organism":"Homo sapiens","target_pref_name":"Epidermal growth factor receptor","target_tax_id":"9606","text_value":null,"toid":null,"type":"IC50","units":"nM","uo_units":"UO_0000065","upper_value":null,"value":"0.025"},{"action_type":null,"activity_comment":null,"activity_id":1054540,"activity_properties":[],"assay_chembl_id":"CHEMBL683040","assay_description":"Inhibition of tyrosine kinase activity of Epidermal growth factor receptor from human A431 carcinoma cells","assay_type":"B","assay_variant_accession":null,"assay_variant_mutation":null,"bao_format":"BAO_0000219","bao_label":"cell-based format","canonical_smiles":"Cn1cnc2cc3c(Nc4cccc(Br)c4)ncnc3cc21","data_validity_comment":null,"data_validity_description":null,"document_chembl_id":"CHEMBL1129035","document_journal":"J Med Chem","document_year":1996,"ligand_efficiency":{"bei":"29.93","le":"0.66","lle":"6.58","sei":"19.06"},"modality":null,"molecule_chembl_id":"CHEMBL174426","molecule_pref_name":null,"parent_molecule_chembl_id":"CHEMBL174426","pchembl_value":"10.60","potential_duplicate":0,"qudt_units":"http://www.openphacts.org/units/Nanomolar","record_id":341638,"relation":"=","src_id":1,"standard_flag":1,"standard_relation":"=","standard_text_value":null,"standard_type":"IC50","standard_units":"nM","standard_upper_value":null,"standard_value":"0.025","target_chembl_id":"CHEMBL203","target_organism":"Homo sapiens","target_pref_name":"Epidermal growth factor receptor","target_tax_id":"9606","text_value":null,"toid":null,"type":"IC50","units":"nM","uo_units":"UO_0000065","upper_value":null,"value":"0.025"}],"page_meta":{"limit":20,"next":"/chembl/api/data/activity.json?limit=20&offset=20&target_chembl_id=CHEMBL203&assay_type=B&pchembl_value__isnull=False&order_by=-pchembl_value","offset":0,"previous":null,"total_count":19866}}