Compile Data Set for Download or QSAR

Found 91 hits Enz. Inhib. hit(s) with all data for entry = 50008990   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50524283 (EXEL-7647 | KD-019 | KD-020 | KD019 | Tesevatinib ...) Show SMILES [H][C@@]12C[C@H](COc3cc4ncnc(Nc5ccc(Cl)c(Cl)c5F)c4cc3OC)C[C@]1([H])CN(C)C2 |r| Show InChI InChI=1S/C24H25Cl2FN4O2/c1-31-9-14-5-13(6-15(14)10-31)11-33-21-8-19-16(7-20(21)32-2)24(29-12-28-19)30-18-4-3-17(25)22(26)23(18)27/h3-4,7-8,12-15H,5-6,9-11H2,1-2H3,(H,28,29,30)/t13-,14-,15+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill Curated by ChEMBL					Assay Description Inhibition of EGFR in human A431 cells assessed as reduction in EGF-stimulated EGFR autophosphorylation preincuabted for 90 mins followed by EGF-stim...				J Med Chem 62: 4772-4778 (2019) Article DOI: 10.1021/acs.jmedchem.9b00350 BindingDB Entry DOI: 10.7270/Q2RJ4NVJ
					More data for this Ligand-Target Pair
Cyclin-G-associated kinase (Homo sapiens (Human))	BDBM6503 (4-Anilino-3-cyanoquinoline deriv. 4 | 6,7-dimethox...) Show SMILES COc1cc(Nc2c(cnc3cc(OC)c(OC)cc23)C#N)cc(OC)c1OC Show InChI InChI=1S/C21H21N3O5/c1-25-16-8-14-15(9-17(16)26-2)23-11-12(10-22)20(14)24-13-6-18(27-3)21(29-5)19(7-13)28-4/h6-9,11H,1-5H3,(H,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill Curated by ChEMBL					Assay Description Inhibition of tracer 5 binding to human N-terminal nano luciferase-fused GAK expressed in HEK293 cells measured after 2 hrs by nanoBRET assay				J Med Chem 62: 4772-4778 (2019) Article DOI: 10.1021/acs.jmedchem.9b00350 BindingDB Entry DOI: 10.7270/Q2RJ4NVJ
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50437353 (CHEMBL2408045) Show SMILES CNC(=O)CN1CCC(CC1)Oc1cc2c(Nc3cccc(Cl)c3F)ncnc2cc1OC Show InChI InChI=1S/C23H25ClFN5O3/c1-26-21(31)12-30-8-6-14(7-9-30)33-20-10-15-18(11-19(20)32-2)27-13-28-23(15)29-17-5-3-4-16(24)22(17)25/h3-5,10-11,13-14H,6-9,12H2,1-2H3,(H,26,31)(H,27,28,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill Curated by ChEMBL					Assay Description Inhibition of EGFR in human A431 cells assessed as reduction in EGF-stimulated EGFR autophosphorylation preincuabted for 90 mins followed by EGF-stim...				J Med Chem 62: 4772-4778 (2019) Article DOI: 10.1021/acs.jmedchem.9b00350 BindingDB Entry DOI: 10.7270/Q2RJ4NVJ
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM112499 (DACOMITINIB | US8623883, No. 2 | WO2022090481, Exa...) Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN1CCCCC1 Show InChI InChI=1S/C24H25ClFN5O2/c1-33-22-14-20-17(24(28-15-27-20)29-16-7-8-19(26)18(25)12-16)13-21(22)30-23(32)6-5-11-31-9-3-2-4-10-31/h5-8,12-15H,2-4,9-11H2,1H3,(H,30,32)(H,27,28,29)/b6-5+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill Curated by ChEMBL					Assay Description Inhibition of EGFR in human A431 cells assessed as reduction in EGF-stimulated EGFR autophosphorylation preincuabted for 90 mins followed by EGF-stim...				J Med Chem 62: 4772-4778 (2019) Article DOI: 10.1021/acs.jmedchem.9b00350 BindingDB Entry DOI: 10.7270/Q2RJ4NVJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM5447 (CHEMBL939 | GEFITINIB | Iressa | N-(3-Chloro-4-flu...) Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1 Show InChI InChI=1S/C22H24ClFN4O3/c1-29-20-13-19-16(12-21(20)31-8-2-5-28-6-9-30-10-7-28)22(26-14-25-19)27-15-3-4-18(24)17(23)11-15/h3-4,11-14H,2,5-10H2,1H3,(H,25,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	<15	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill Curated by ChEMBL					Assay Description Inhibition of EGFR in human A431 cells assessed as reduction in EGF-stimulated EGFR autophosphorylation preincuabted for 90 mins followed by EGF-stim...				J Med Chem 62: 4772-4778 (2019) Article DOI: 10.1021/acs.jmedchem.9b00350 BindingDB Entry DOI: 10.7270/Q2RJ4NVJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM3032 (CHEMBL1204168 | CHEMBL29197 | N-(3-bromophenyl)-6,...) Show SMILES COc1cc2ncnc(Nc3cccc(Br)c3)c2cc1OC Show InChI InChI=1S/C16H14BrN3O2/c1-21-14-7-12-13(8-15(14)22-2)18-9-19-16(12)20-11-5-3-4-10(17)6-11/h3-9H,1-2H3,(H,18,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	<15	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill Curated by ChEMBL					Assay Description Inhibition of EGFR in human A431 cells assessed as reduction in EGF-stimulated EGFR autophosphorylation preincuabted for 90 mins followed by EGF-stim...				J Med Chem 62: 4772-4778 (2019) Article DOI: 10.1021/acs.jmedchem.9b00350 BindingDB Entry DOI: 10.7270/Q2RJ4NVJ
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50524282 (CHEMBL4467033) Show SMILES COc1cc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1OC Show InChI InChI=1S/C23H19ClFN3O3/c1-29-21-10-17-19(11-22(21)30-2)26-13-27-23(17)28-16-6-7-20(18(24)9-16)31-12-14-4-3-5-15(25)8-14/h3-11,13H,12H2,1-2H3,(H,26,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<15	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill Curated by ChEMBL					Assay Description Inhibition of EGFR in human A431 cells assessed as reduction in EGF-stimulated EGFR autophosphorylation preincuabted for 90 mins followed by EGF-stim...				J Med Chem 62: 4772-4778 (2019) Article DOI: 10.1021/acs.jmedchem.9b00350 BindingDB Entry DOI: 10.7270/Q2RJ4NVJ
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50095259 ((6,7-Dimethoxy-quinazolin-4-yl)-(3-ethynyl-phenyl)...) Show SMILES COc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OC Show InChI InChI=1S/C18H15N3O2/c1-4-12-6-5-7-13(8-12)21-18-14-9-16(22-2)17(23-3)10-15(14)19-11-20-18/h1,5-11H,2-3H3,(H,19,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill Curated by ChEMBL					Assay Description Inhibition of EGFR in human A431 cells assessed as reduction in EGF-stimulated EGFR autophosphorylation preincuabted for 90 mins followed by EGF-stim...				J Med Chem 62: 4772-4778 (2019) Article DOI: 10.1021/acs.jmedchem.9b00350 BindingDB Entry DOI: 10.7270/Q2RJ4NVJ
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM5445 (CHEMBL554 | GW572016 | LAPATINIB DITOSYLATE | Lapa...) Show SMILES CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1 Show InChI InChI=1S/C29H26ClFN4O4S/c1-40(36,37)12-11-32-16-23-7-10-27(39-23)20-5-8-26-24(14-20)29(34-18-33-26)35-22-6-9-28(25(30)15-22)38-17-19-3-2-4-21(31)13-19/h2-10,13-15,18,32H,11-12,16-17H2,1H3,(H,33,34,35)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill Curated by ChEMBL					Assay Description Inhibition of EGFR in human A431 cells assessed as reduction in EGF-stimulated EGFR autophosphorylation preincuabted for 90 mins followed by EGF-stim...				J Med Chem 62: 4772-4778 (2019) Article DOI: 10.1021/acs.jmedchem.9b00350 BindingDB Entry DOI: 10.7270/Q2RJ4NVJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclin-G-associated kinase (Homo sapiens (Human))	BDBM6511 (4-Anilinoquinoline deriv. 8 | 6,7-dimethoxy-N-(3,4...) Show SMILES COc1cc(Nc2ccnc3cc(OC)c(OC)cc23)cc(OC)c1OC Show InChI InChI=1S/C20H22N2O5/c1-23-16-10-13-14(6-7-21-15(13)11-17(16)24-2)22-12-8-18(25-3)20(27-5)19(9-12)26-4/h6-11H,1-5H3,(H,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill Curated by ChEMBL					Assay Description Inhibition of tracer 5 binding to human N-terminal nano luciferase-fused GAK expressed in HEK293 cells measured after 2 hrs by nanoBRET assay				J Med Chem 62: 4772-4778 (2019) Article DOI: 10.1021/acs.jmedchem.9b00350 BindingDB Entry DOI: 10.7270/Q2RJ4NVJ
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM5446 (CHEMBL553 | ERLOTINIB HYDROCHLORIDE | Erlotinib | ...) Show SMILES COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCOC Show InChI InChI=1S/C22H23N3O4/c1-4-16-6-5-7-17(12-16)25-22-18-13-20(28-10-8-26-2)21(29-11-9-27-3)14-19(18)23-15-24-22/h1,5-7,12-15H,8-11H2,2-3H3,(H,23,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill Curated by ChEMBL					Assay Description Inhibition of EGFR in human A431 cells assessed as reduction in EGF-stimulated EGFR autophosphorylation preincuabted for 90 mins followed by EGF-stim...				J Med Chem 62: 4772-4778 (2019) Article DOI: 10.1021/acs.jmedchem.9b00350 BindingDB Entry DOI: 10.7270/Q2RJ4NVJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclin-G-associated kinase (Homo sapiens (Human))	BDBM50524281 (CHEMBL4440586) Show SMILES COc1cc2ncc(C#N)c(Nc3cccc(c3)C#C)c2cc1OC Show InChI InChI=1S/C20H15N3O2/c1-4-13-6-5-7-15(8-13)23-20-14(11-21)12-22-17-10-19(25-3)18(24-2)9-16(17)20/h1,5-10,12H,2-3H3,(H,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill Curated by ChEMBL					Assay Description Inhibition of tracer 5 binding to human N-terminal nano luciferase-fused GAK expressed in HEK293 cells measured after 2 hrs by nanoBRET assay				J Med Chem 62: 4772-4778 (2019) Article DOI: 10.1021/acs.jmedchem.9b00350 BindingDB Entry DOI: 10.7270/Q2RJ4NVJ
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM31090 ((E)-N-[4-(3-chloro-4-fluoro-anilino)-3-cyano-7-eth...) Show SMILES CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C Show InChI InChI=1S/C24H23ClFN5O2/c1-4-33-22-12-20-17(11-21(22)30-23(32)6-5-9-31(2)3)24(15(13-27)14-28-20)29-16-7-8-19(26)18(25)10-16/h5-8,10-12,14H,4,9H2,1-3H3,(H,28,29)(H,30,32)/b6-5+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	39	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill Curated by ChEMBL					Assay Description Inhibition of EGFR in human A431 cells assessed as reduction in EGF-stimulated EGFR autophosphorylation preincuabted for 90 mins followed by EGF-stim...				J Med Chem 62: 4772-4778 (2019) Article DOI: 10.1021/acs.jmedchem.9b00350 BindingDB Entry DOI: 10.7270/Q2RJ4NVJ
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50314989 (CHEMBL1092250 | N-(3-Ethynylphenyl)-6,7-dimethoxyq...) Show SMILES COc1cc2nccc(Nc3cccc(c3)C#C)c2cc1OC Show InChI InChI=1S/C19H16N2O2/c1-4-13-6-5-7-14(10-13)21-16-8-9-20-17-12-19(23-3)18(22-2)11-15(16)17/h1,5-12H,2-3H3,(H,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	42	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill Curated by ChEMBL					Assay Description Inhibition of EGFR in human A431 cells assessed as reduction in EGF-stimulated EGFR autophosphorylation preincuabted for 90 mins followed by EGF-stim...				J Med Chem 62: 4772-4778 (2019) Article DOI: 10.1021/acs.jmedchem.9b00350 BindingDB Entry DOI: 10.7270/Q2RJ4NVJ
					More data for this Ligand-Target Pair
Cyclin-G-associated kinase (Homo sapiens (Human))	BDBM50524284 (CHEMBL4443342) Show SMILES COc1cc(Nc2ccnc3ccc(Br)cc23)cc(OC)c1OC Show InChI InChI=1S/C18H17BrN2O3/c1-22-16-9-12(10-17(23-2)18(16)24-3)21-15-6-7-20-14-5-4-11(19)8-13(14)15/h4-10H,1-3H3,(H,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	48	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill Curated by ChEMBL					Assay Description Inhibition of tracer 5 binding to human N-terminal nano luciferase-fused GAK expressed in HEK293 cells measured after 2 hrs by nanoBRET assay				J Med Chem 62: 4772-4778 (2019) Article DOI: 10.1021/acs.jmedchem.9b00350 BindingDB Entry DOI: 10.7270/Q2RJ4NVJ
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50524281 (CHEMBL4440586) Show SMILES COc1cc2ncc(C#N)c(Nc3cccc(c3)C#C)c2cc1OC Show InChI InChI=1S/C20H15N3O2/c1-4-13-6-5-7-15(8-13)23-20-14(11-21)12-22-17-10-19(25-3)18(24-2)9-16(17)20/h1,5-10,12H,2-3H3,(H,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	61	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill Curated by ChEMBL					Assay Description Inhibition of EGFR in human A431 cells assessed as reduction in EGF-stimulated EGFR autophosphorylation preincuabted for 90 mins followed by EGF-stim...				J Med Chem 62: 4772-4778 (2019) Article DOI: 10.1021/acs.jmedchem.9b00350 BindingDB Entry DOI: 10.7270/Q2RJ4NVJ
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM12255 (AZD0530 | CHEMBL217092 | Compound 33 | N-(5-chloro...) Show SMILES CN1CCN(CCOc2cc(OC3CCOCC3)c3c(Nc4c5OCOc5ccc4Cl)ncnc3c2)CC1 Show InChI InChI=1S/C27H32ClN5O5/c1-32-6-8-33(9-7-32)10-13-35-19-14-21-24(23(15-19)38-18-4-11-34-12-5-18)27(30-16-29-21)31-25-20(28)2-3-22-26(25)37-17-36-22/h2-3,14-16,18H,4-13,17H2,1H3,(H,29,30,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	66	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill Curated by ChEMBL					Assay Description Inhibition of EGFR in human A431 cells assessed as reduction in EGF-stimulated EGFR autophosphorylation preincuabted for 90 mins followed by EGF-stim...				J Med Chem 62: 4772-4778 (2019) Article DOI: 10.1021/acs.jmedchem.9b00350 BindingDB Entry DOI: 10.7270/Q2RJ4NVJ
					More data for this Ligand-Target Pair
Cyclin-G-associated kinase (Homo sapiens (Human))	BDBM50095259 ((6,7-Dimethoxy-quinazolin-4-yl)-(3-ethynyl-phenyl)...) Show SMILES COc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OC Show InChI InChI=1S/C18H15N3O2/c1-4-12-6-5-7-13(8-12)21-18-14-9-16(22-2)17(23-3)10-15(14)19-11-20-18/h1,5-11H,2-3H3,(H,19,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	72	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill Curated by ChEMBL					Assay Description Inhibition of tracer 5 binding to human N-terminal nano luciferase-fused GAK expressed in HEK293 cells measured after 2 hrs by nanoBRET assay				J Med Chem 62: 4772-4778 (2019) Article DOI: 10.1021/acs.jmedchem.9b00350 BindingDB Entry DOI: 10.7270/Q2RJ4NVJ
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM4445 (4-(3-Bromophenylamino)-6,7-dimethoxyquinoline-3-ca...) Show SMILES COc1cc2ncc(C#N)c(Nc3cccc(Br)c3)c2cc1OC Show InChI InChI=1S/C18H14BrN3O2/c1-23-16-7-14-15(8-17(16)24-2)21-10-11(9-20)18(14)22-13-5-3-4-12(19)6-13/h3-8,10H,1-2H3,(H,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill Curated by ChEMBL					Assay Description Inhibition of EGFR in human A431 cells assessed as reduction in EGF-stimulated EGFR autophosphorylation preincuabted for 90 mins followed by EGF-stim...				J Med Chem 62: 4772-4778 (2019) Article DOI: 10.1021/acs.jmedchem.9b00350 BindingDB Entry DOI: 10.7270/Q2RJ4NVJ
					More data for this Ligand-Target Pair
Cyclin-G-associated kinase (Homo sapiens (Human))	BDBM4445 (4-(3-Bromophenylamino)-6,7-dimethoxyquinoline-3-ca...) Show SMILES COc1cc2ncc(C#N)c(Nc3cccc(Br)c3)c2cc1OC Show InChI InChI=1S/C18H14BrN3O2/c1-23-16-7-14-15(8-17(16)24-2)21-10-11(9-20)18(14)22-13-5-3-4-12(19)6-13/h3-8,10H,1-2H3,(H,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill Curated by ChEMBL					Assay Description Inhibition of tracer 5 binding to human N-terminal nano luciferase-fused GAK expressed in HEK293 cells measured after 2 hrs by nanoBRET assay				J Med Chem 62: 4772-4778 (2019) Article DOI: 10.1021/acs.jmedchem.9b00350 BindingDB Entry DOI: 10.7270/Q2RJ4NVJ
					More data for this Ligand-Target Pair
Cyclin-G-associated kinase (Homo sapiens (Human))	BDBM50524289 (CHEMBL535429 | TCMDC-138471) Show SMILES COc1cc(Nc2ccnc3ccc(cc23)C(F)(F)F)cc(OC)c1OC Show InChI InChI=1S/C19H17F3N2O3/c1-25-16-9-12(10-17(26-2)18(16)27-3)24-15-6-7-23-14-5-4-11(8-13(14)15)19(20,21)22/h4-10H,1-3H3,(H,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill Curated by ChEMBL					Assay Description Inhibition of tracer 5 binding to human N-terminal nano luciferase-fused GAK expressed in HEK293 cells measured after 2 hrs by nanoBRET assay				J Med Chem 62: 4772-4778 (2019) Article DOI: 10.1021/acs.jmedchem.9b00350 BindingDB Entry DOI: 10.7270/Q2RJ4NVJ
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50290836 ((3-Bromo-phenyl)-(6,7-dimethoxy-quinolin-4-yl)-ami...) Show SMILES COc1cc2nccc(Nc3cccc(Br)c3)c2cc1OC Show InChI InChI=1S/C17H15BrN2O2/c1-21-16-9-13-14(20-12-5-3-4-11(18)8-12)6-7-19-15(13)10-17(16)22-2/h3-10H,1-2H3,(H,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill Curated by ChEMBL					Assay Description Inhibition of EGFR in human A431 cells assessed as reduction in EGF-stimulated EGFR autophosphorylation preincuabted for 90 mins followed by EGF-stim...				J Med Chem 62: 4772-4778 (2019) Article DOI: 10.1021/acs.jmedchem.9b00350 BindingDB Entry DOI: 10.7270/Q2RJ4NVJ
					More data for this Ligand-Target Pair
Cyclin-G-associated kinase (Homo sapiens (Human))	BDBM3032 (CHEMBL1204168 | CHEMBL29197 | N-(3-bromophenyl)-6,...) Show SMILES COc1cc2ncnc(Nc3cccc(Br)c3)c2cc1OC Show InChI InChI=1S/C16H14BrN3O2/c1-21-14-7-12-13(8-15(14)22-2)18-9-19-16(12)20-11-5-3-4-10(17)6-11/h3-9H,1-2H3,(H,18,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	260	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill Curated by ChEMBL					Assay Description Inhibition of tracer 5 binding to human N-terminal nano luciferase-fused GAK expressed in HEK293 cells measured after 2 hrs by nanoBRET assay				J Med Chem 62: 4772-4778 (2019) Article DOI: 10.1021/acs.jmedchem.9b00350 BindingDB Entry DOI: 10.7270/Q2RJ4NVJ
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50314990 (CHEMBL1089203 | N-(3-Ethynylphenyl)-6,7-bis(2-meth...) Show SMILES COCCOc1cc2nccc(Nc3cccc(c3)C#C)c2cc1OCCOC Show InChI InChI=1S/C23H24N2O4/c1-4-17-6-5-7-18(14-17)25-20-8-9-24-21-16-23(29-13-11-27-3)22(15-19(20)21)28-12-10-26-2/h1,5-9,14-16H,10-13H2,2-3H3,(H,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	340	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill Curated by ChEMBL					Assay Description Inhibition of EGFR in human A431 cells assessed as reduction in EGF-stimulated EGFR autophosphorylation preincuabted for 90 mins followed by EGF-stim...				J Med Chem 62: 4772-4778 (2019) Article DOI: 10.1021/acs.jmedchem.9b00350 BindingDB Entry DOI: 10.7270/Q2RJ4NVJ
					More data for this Ligand-Target Pair
Cyclin-G-associated kinase (Homo sapiens (Human))	BDBM6497 (6,7-dimethoxy-N-(3,4,5-trimethoxyphenyl)quinazolin...) Show SMILES COc1cc2ncnc(Nc3cc(OC)c(OC)c(OC)c3)c2cc1OC Show InChI InChI=1S/C19H21N3O5/c1-23-14-8-12-13(9-15(14)24-2)20-10-21-19(12)22-11-6-16(25-3)18(27-5)17(7-11)26-4/h6-10H,1-5H3,(H,20,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	350	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill Curated by ChEMBL					Assay Description Inhibition of tracer 5 binding to human N-terminal nano luciferase-fused GAK expressed in HEK293 cells measured after 2 hrs by nanoBRET assay				J Med Chem 62: 4772-4778 (2019) Article DOI: 10.1021/acs.jmedchem.9b00350 BindingDB Entry DOI: 10.7270/Q2RJ4NVJ
					More data for this Ligand-Target Pair
Cyclin-G-associated kinase (Homo sapiens (Human))	BDBM5447 (CHEMBL939 | GEFITINIB | Iressa | N-(3-Chloro-4-flu...) Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1 Show InChI InChI=1S/C22H24ClFN4O3/c1-29-20-13-19-16(12-21(20)31-8-2-5-28-6-9-30-10-7-28)22(26-14-25-19)27-15-3-4-18(24)17(23)11-15/h3-4,11-14H,2,5-10H2,1H3,(H,25,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	420	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill Curated by ChEMBL					Assay Description Inhibition of tracer 5 binding to human N-terminal nano luciferase-fused GAK expressed in HEK293 cells measured after 2 hrs by nanoBRET assay				J Med Chem 62: 4772-4778 (2019) Article DOI: 10.1021/acs.jmedchem.9b00350 BindingDB Entry DOI: 10.7270/Q2RJ4NVJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclin-G-associated kinase (Homo sapiens (Human))	BDBM50314989 (CHEMBL1092250 | N-(3-Ethynylphenyl)-6,7-dimethoxyq...) Show SMILES COc1cc2nccc(Nc3cccc(c3)C#C)c2cc1OC Show InChI InChI=1S/C19H16N2O2/c1-4-13-6-5-7-14(10-13)21-16-8-9-20-17-12-19(23-3)18(22-2)11-15(16)17/h1,5-12H,2-3H3,(H,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill Curated by ChEMBL					Assay Description Inhibition of tracer 5 binding to human N-terminal nano luciferase-fused GAK expressed in HEK293 cells measured after 2 hrs by nanoBRET assay				J Med Chem 62: 4772-4778 (2019) Article DOI: 10.1021/acs.jmedchem.9b00350 BindingDB Entry DOI: 10.7270/Q2RJ4NVJ
					More data for this Ligand-Target Pair
Cyclin-G-associated kinase (Homo sapiens (Human))	BDBM50290836 ((3-Bromo-phenyl)-(6,7-dimethoxy-quinolin-4-yl)-ami...) Show SMILES COc1cc2nccc(Nc3cccc(Br)c3)c2cc1OC Show InChI InChI=1S/C17H15BrN2O2/c1-21-16-9-13-14(20-12-5-3-4-11(18)8-12)6-7-19-15(13)10-17(16)22-2/h3-10H,1-2H3,(H,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	510	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill Curated by ChEMBL					Assay Description Inhibition of tracer 5 binding to human N-terminal nano luciferase-fused GAK expressed in HEK293 cells measured after 2 hrs by nanoBRET assay				J Med Chem 62: 4772-4778 (2019) Article DOI: 10.1021/acs.jmedchem.9b00350 BindingDB Entry DOI: 10.7270/Q2RJ4NVJ
					More data for this Ligand-Target Pair
Cyclin-G-associated kinase (Homo sapiens (Human))	BDBM5446 (CHEMBL553 | ERLOTINIB HYDROCHLORIDE | Erlotinib | ...) Show SMILES COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCOC Show InChI InChI=1S/C22H23N3O4/c1-4-16-6-5-7-17(12-16)25-22-18-13-20(28-10-8-26-2)21(29-11-9-27-3)14-19(18)23-15-24-22/h1,5-7,12-15H,8-11H2,2-3H3,(H,23,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	910	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill Curated by ChEMBL					Assay Description Inhibition of tracer 5 binding to human N-terminal nano luciferase-fused GAK expressed in HEK293 cells measured after 2 hrs by nanoBRET assay				J Med Chem 62: 4772-4778 (2019) Article DOI: 10.1021/acs.jmedchem.9b00350 BindingDB Entry DOI: 10.7270/Q2RJ4NVJ
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50524286 (CHEMBL4447797) Show SMILES COc1cc2nccc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1OC Show InChI InChI=1S/C24H20ClFN2O3/c1-29-23-12-18-20(8-9-27-21(18)13-24(23)30-2)28-17-6-7-22(19(25)11-17)31-14-15-4-3-5-16(26)10-15/h3-13H,14H2,1-2H3,(H,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill Curated by ChEMBL					Assay Description Inhibition of EGFR in human A431 cells assessed as reduction in EGF-stimulated EGFR autophosphorylation preincuabted for 90 mins followed by EGF-stim...				J Med Chem 62: 4772-4778 (2019) Article DOI: 10.1021/acs.jmedchem.9b00350 BindingDB Entry DOI: 10.7270/Q2RJ4NVJ
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50524287 (CHEMBL4462395) Show SMILES COc1cc(cc(OC)c1OC)N(C)c1ccnc2ccc(cc12)C(F)(F)F Show InChI InChI=1S/C20H19F3N2O3/c1-25(13-10-17(26-2)19(28-4)18(11-13)27-3)16-7-8-24-15-6-5-12(9-14(15)16)20(21,22)23/h5-11H,1-4H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill Curated by ChEMBL					Assay Description Inhibition of EGFR in human A431 cells assessed as reduction in EGF-stimulated EGFR autophosphorylation preincuabted for 90 mins followed by EGF-stim...				J Med Chem 62: 4772-4778 (2019) Article DOI: 10.1021/acs.jmedchem.9b00350 BindingDB Entry DOI: 10.7270/Q2RJ4NVJ
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50524285 (CHEMBL4468521) Show SMILES COCCOc1cc2ncnc(Nc3cc(OC)c(OC)c(OC)c3)c2cc1OCCOC Show InChI InChI=1S/C23H29N3O7/c1-27-6-8-32-18-12-16-17(13-19(18)33-9-7-28-2)24-14-25-23(16)26-15-10-20(29-3)22(31-5)21(11-15)30-4/h10-14H,6-9H2,1-5H3,(H,24,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill Curated by ChEMBL					Assay Description Inhibition of EGFR in human A431 cells assessed as reduction in EGF-stimulated EGFR autophosphorylation preincuabted for 90 mins followed by EGF-stim...				J Med Chem 62: 4772-4778 (2019) Article DOI: 10.1021/acs.jmedchem.9b00350 BindingDB Entry DOI: 10.7270/Q2RJ4NVJ
					More data for this Ligand-Target Pair
Cyclin-G-associated kinase (Homo sapiens (Human))	BDBM50524285 (CHEMBL4468521) Show SMILES COCCOc1cc2ncnc(Nc3cc(OC)c(OC)c(OC)c3)c2cc1OCCOC Show InChI InChI=1S/C23H29N3O7/c1-27-6-8-32-18-12-16-17(13-19(18)33-9-7-28-2)24-14-25-23(16)26-15-10-20(29-3)22(31-5)21(11-15)30-4/h10-14H,6-9H2,1-5H3,(H,24,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill Curated by ChEMBL					Assay Description Inhibition of tracer 5 binding to human N-terminal nano luciferase-fused GAK expressed in HEK293 cells measured after 2 hrs by nanoBRET assay				J Med Chem 62: 4772-4778 (2019) Article DOI: 10.1021/acs.jmedchem.9b00350 BindingDB Entry DOI: 10.7270/Q2RJ4NVJ
					More data for this Ligand-Target Pair
Cyclin-G-associated kinase (Homo sapiens (Human))	BDBM50314990 (CHEMBL1089203 | N-(3-Ethynylphenyl)-6,7-bis(2-meth...) Show SMILES COCCOc1cc2nccc(Nc3cccc(c3)C#C)c2cc1OCCOC Show InChI InChI=1S/C23H24N2O4/c1-4-17-6-5-7-18(14-17)25-20-8-9-24-21-16-23(29-13-11-27-3)22(15-19(20)21)28-12-10-26-2/h1,5-9,14-16H,10-13H2,2-3H3,(H,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill Curated by ChEMBL					Assay Description Inhibition of tracer 5 binding to human N-terminal nano luciferase-fused GAK expressed in HEK293 cells measured after 2 hrs by nanoBRET assay				J Med Chem 62: 4772-4778 (2019) Article DOI: 10.1021/acs.jmedchem.9b00350 BindingDB Entry DOI: 10.7270/Q2RJ4NVJ
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM6497 (6,7-dimethoxy-N-(3,4,5-trimethoxyphenyl)quinazolin...) Show SMILES COc1cc2ncnc(Nc3cc(OC)c(OC)c(OC)c3)c2cc1OC Show InChI InChI=1S/C19H21N3O5/c1-23-14-8-12-13(9-15(14)24-2)20-10-21-19(12)22-11-6-16(25-3)18(27-5)17(7-11)26-4/h6-10H,1-5H3,(H,20,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill Curated by ChEMBL					Assay Description Inhibition of EGFR in human A431 cells assessed as reduction in EGF-stimulated EGFR autophosphorylation preincuabted for 90 mins followed by EGF-stim...				J Med Chem 62: 4772-4778 (2019) Article DOI: 10.1021/acs.jmedchem.9b00350 BindingDB Entry DOI: 10.7270/Q2RJ4NVJ
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM6503 (4-Anilino-3-cyanoquinoline deriv. 4 | 6,7-dimethox...) Show SMILES COc1cc(Nc2c(cnc3cc(OC)c(OC)cc23)C#N)cc(OC)c1OC Show InChI InChI=1S/C21H21N3O5/c1-25-16-8-14-15(9-17(16)26-2)23-11-12(10-22)20(14)24-13-6-18(27-3)21(29-5)19(7-13)28-4/h6-9,11H,1-5H3,(H,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill Curated by ChEMBL					Assay Description Inhibition of EGFR in human A431 cells assessed as reduction in EGF-stimulated EGFR autophosphorylation preincuabted for 90 mins followed by EGF-stim...				J Med Chem 62: 4772-4778 (2019) Article DOI: 10.1021/acs.jmedchem.9b00350 BindingDB Entry DOI: 10.7270/Q2RJ4NVJ
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM6511 (4-Anilinoquinoline deriv. 8 | 6,7-dimethoxy-N-(3,4...) Show SMILES COc1cc(Nc2ccnc3cc(OC)c(OC)cc23)cc(OC)c1OC Show InChI InChI=1S/C20H22N2O5/c1-23-16-10-13-14(6-7-21-15(13)11-17(16)24-2)22-12-8-18(25-3)20(27-5)19(9-12)26-4/h6-11H,1-5H3,(H,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill Curated by ChEMBL					Assay Description Inhibition of EGFR in human A431 cells assessed as reduction in EGF-stimulated EGFR autophosphorylation preincuabted for 90 mins followed by EGF-stim...				J Med Chem 62: 4772-4778 (2019) Article DOI: 10.1021/acs.jmedchem.9b00350 BindingDB Entry DOI: 10.7270/Q2RJ4NVJ
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50516677 (CHEMBL4514780) Show SMILES CC(C)(C)S(=O)(=O)c1cc2c(Nc3ccc4scnc4c3)ncnc2cc1OCCO Show InChI InChI=1S/C21H22N4O4S2/c1-21(2,3)31(27,28)19-9-14-15(10-17(19)29-7-6-26)22-11-23-20(14)25-13-4-5-18-16(8-13)24-12-30-18/h4-5,8-12,26H,6-7H2,1-3H3,(H,22,23,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill Curated by ChEMBL					Assay Description Inhibition of EGFR in human A431 cells assessed as reduction in EGF-stimulated EGFR autophosphorylation preincuabted for 90 mins followed by EGF-stim...				J Med Chem 62: 4772-4778 (2019) Article DOI: 10.1021/acs.jmedchem.9b00350 BindingDB Entry DOI: 10.7270/Q2RJ4NVJ
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50524284 (CHEMBL4443342) Show SMILES COc1cc(Nc2ccnc3ccc(Br)cc23)cc(OC)c1OC Show InChI InChI=1S/C18H17BrN2O3/c1-22-16-9-12(10-17(23-2)18(16)24-3)21-15-6-7-20-14-5-4-11(19)8-13(14)15/h4-10H,1-3H3,(H,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill Curated by ChEMBL					Assay Description Inhibition of EGFR in human A431 cells assessed as reduction in EGF-stimulated EGFR autophosphorylation preincuabted for 90 mins followed by EGF-stim...				J Med Chem 62: 4772-4778 (2019) Article DOI: 10.1021/acs.jmedchem.9b00350 BindingDB Entry DOI: 10.7270/Q2RJ4NVJ
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50524289 (CHEMBL535429 | TCMDC-138471) Show SMILES COc1cc(Nc2ccnc3ccc(cc23)C(F)(F)F)cc(OC)c1OC Show InChI InChI=1S/C19H17F3N2O3/c1-25-16-9-12(10-17(26-2)18(16)27-3)24-15-6-7-23-14-5-4-11(8-13(14)15)19(20,21)22/h4-10H,1-3H3,(H,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill Curated by ChEMBL					Assay Description Inhibition of EGFR in human A431 cells assessed as reduction in EGF-stimulated EGFR autophosphorylation preincuabted for 90 mins followed by EGF-stim...				J Med Chem 62: 4772-4778 (2019) Article DOI: 10.1021/acs.jmedchem.9b00350 BindingDB Entry DOI: 10.7270/Q2RJ4NVJ
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50524280 (CHEMBL4446630) Show SMILES COc1cc(Nc2ncnc3ccc(cc23)C(F)(F)F)cc(OC)c1OC Show InChI InChI=1S/C18H16F3N3O3/c1-25-14-7-11(8-15(26-2)16(14)27-3)24-17-12-6-10(18(19,20)21)4-5-13(12)22-9-23-17/h4-9H,1-3H3,(H,22,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill Curated by ChEMBL					Assay Description Inhibition of EGFR in human A431 cells assessed as reduction in EGF-stimulated EGFR autophosphorylation preincuabted for 90 mins followed by EGF-stim...				J Med Chem 62: 4772-4778 (2019) Article DOI: 10.1021/acs.jmedchem.9b00350 BindingDB Entry DOI: 10.7270/Q2RJ4NVJ
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50524288 (CHEMBL4518437) Show SMILES COc1cc(Nc2cc(C)nc3ccc(cc23)C(F)(F)F)cc(OC)c1OC Show InChI InChI=1S/C20H19F3N2O3/c1-11-7-16(14-8-12(20(21,22)23)5-6-15(14)24-11)25-13-9-17(26-2)19(28-4)18(10-13)27-3/h5-10H,1-4H3,(H,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill Curated by ChEMBL					Assay Description Inhibition of EGFR in human A431 cells assessed as reduction in EGF-stimulated EGFR autophosphorylation preincuabted for 90 mins followed by EGF-stim...				J Med Chem 62: 4772-4778 (2019) Article DOI: 10.1021/acs.jmedchem.9b00350 BindingDB Entry DOI: 10.7270/Q2RJ4NVJ
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50524280 (CHEMBL4446630) Show SMILES COc1cc(Nc2ncnc3ccc(cc23)C(F)(F)F)cc(OC)c1OC Show InChI InChI=1S/C18H16F3N3O3/c1-25-14-7-11(8-15(26-2)16(14)27-3)24-17-12-6-10(18(19,20)21)4-5-13(12)22-9-23-17/h4-9H,1-3H3,(H,22,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	6.10E+3	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill Curated by ChEMBL					Assay Description Binding affinity to wild-type human partial length EGFR (R669 to V1011 residues) expressed in bacterial expression system by Kinomescan method				J Med Chem 62: 4772-4778 (2019) Article DOI: 10.1021/acs.jmedchem.9b00350 BindingDB Entry DOI: 10.7270/Q2RJ4NVJ
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM5446 (CHEMBL553 | ERLOTINIB HYDROCHLORIDE | Erlotinib | ...) Show SMILES COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCOC Show InChI InChI=1S/C22H23N3O4/c1-4-16-6-5-7-17(12-16)25-22-18-13-20(28-10-8-26-2)21(29-11-9-27-3)14-19(18)23-15-24-22/h1,5-7,12-15H,8-11H2,2-3H3,(H,23,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill Curated by ChEMBL					Assay Description Binding affinity to wild-type human partial length EGFR (R669 to V1011 residues) expressed in bacterial expression system by Kinomescan method				J Med Chem 62: 4772-4778 (2019) Article DOI: 10.1021/acs.jmedchem.9b00350 BindingDB Entry DOI: 10.7270/Q2RJ4NVJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclin-G-associated kinase (Homo sapiens (Human))	BDBM4779 (CHEMBL31965 | CHEMBL545315 | CI-1033 | Canertinib ...) Show SMILES Fc1ccc(Nc2ncnc3cc(OCCCN4CCOCC4)c(NC(=O)C=C)cc23)cc1Cl Show InChI InChI=1S/C24H25ClFN5O3/c1-2-23(32)30-21-13-17-20(14-22(21)34-9-3-6-31-7-10-33-11-8-31)27-15-28-24(17)29-16-4-5-19(26)18(25)12-16/h2,4-5,12-15H,1,3,6-11H2,(H,30,32)(H,27,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill Curated by ChEMBL					Assay Description Binding affinity to wild-type human partial length GAK (G13 to Y338 residues) expressed in bacterial expression system by Kinomescan method				J Med Chem 62: 4772-4778 (2019) Article DOI: 10.1021/acs.jmedchem.9b00350 BindingDB Entry DOI: 10.7270/Q2RJ4NVJ
					More data for this Ligand-Target Pair
Cyclin-G-associated kinase (Homo sapiens (Human))	BDBM6497 (6,7-dimethoxy-N-(3,4,5-trimethoxyphenyl)quinazolin...) Show SMILES COc1cc2ncnc(Nc3cc(OC)c(OC)c(OC)c3)c2cc1OC Show InChI InChI=1S/C19H21N3O5/c1-23-14-8-12-13(9-15(14)24-2)20-10-21-19(12)22-11-6-16(25-3)18(27-5)17(7-11)26-4/h6-10H,1-5H3,(H,20,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill Curated by ChEMBL					Assay Description Binding affinity to wild-type human partial length GAK (G13 to Y338 residues) expressed in bacterial expression system by Kinomescan method				J Med Chem 62: 4772-4778 (2019) Article DOI: 10.1021/acs.jmedchem.9b00350 BindingDB Entry DOI: 10.7270/Q2RJ4NVJ
					More data for this Ligand-Target Pair
Cyclin-G-associated kinase (Homo sapiens (Human))	BDBM4445 (4-(3-Bromophenylamino)-6,7-dimethoxyquinoline-3-ca...) Show SMILES COc1cc2ncc(C#N)c(Nc3cccc(Br)c3)c2cc1OC Show InChI InChI=1S/C18H14BrN3O2/c1-23-16-7-14-15(8-17(16)24-2)21-10-11(9-20)18(14)22-13-5-3-4-12(19)6-13/h3-8,10H,1-2H3,(H,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill Curated by ChEMBL					Assay Description Binding affinity to wild-type human partial length GAK (G13 to Y338 residues) expressed in bacterial expression system by Kinomescan method				J Med Chem 62: 4772-4778 (2019) Article DOI: 10.1021/acs.jmedchem.9b00350 BindingDB Entry DOI: 10.7270/Q2RJ4NVJ
					More data for this Ligand-Target Pair
Activated CDC42 kinase 1 (Homo sapiens (Human))	BDBM185148 ((3R,4R)-4-amino-1-[[4-(3-methoxyanilino)pyrrolo[2,...) Show SMILES COc1cccc(Nc2ncnn3ccc(CN4CC[C@@H](N)[C@H](O)C4)c23)c1 Show InChI InChI=1S/C19H24N6O2/c1-27-15-4-2-3-14(9-15)23-19-18-13(5-8-25(18)22-12-21-19)10-24-7-6-16(20)17(26)11-24/h2-5,8-9,12,16-17,26H,6-7,10-11,20H2,1H3,(H,21,22,23)/t16-,17-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	<225	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill Curated by ChEMBL					Assay Description Binding affinity to wild-type human partial length TNK2 (S159 to D474 residues) expressed in bacterial expression system by Kinomescan method				J Med Chem 62: 4772-4778 (2019) Article DOI: 10.1021/acs.jmedchem.9b00350 BindingDB Entry DOI: 10.7270/Q2RJ4NVJ
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM21 (CHEMBL24828 | N-(4-bromo-2-fluorophenyl)-6-methoxy...) Show SMILES COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1 Show InChI InChI=1S/C22H24BrFN4O2/c1-28-7-5-14(6-8-28)12-30-21-11-19-16(10-20(21)29-2)22(26-13-25-19)27-18-4-3-15(23)9-17(18)24/h3-4,9-11,13-14H,5-8,12H2,1-2H3,(H,25,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	9.5	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill Curated by ChEMBL					Assay Description Binding affinity to wild-type human partial length EGFR (R669 to V1011 residues) expressed in bacterial expression system by Kinomescan method				J Med Chem 62: 4772-4778 (2019) Article DOI: 10.1021/acs.jmedchem.9b00350 BindingDB Entry DOI: 10.7270/Q2RJ4NVJ
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50161957 (4-Dimethylamino-but-2-enoic acid {4-[3-chloro-4-(p...) Show SMILES CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C Show InChI InChI=1S/C30H29ClN6O3/c1-4-39-28-16-25-23(15-26(28)36-29(38)9-7-13-37(2)3)30(20(17-32)18-34-25)35-21-10-11-27(24(31)14-21)40-19-22-8-5-6-12-33-22/h5-12,14-16,18H,4,13,19H2,1-3H3,(H,34,35)(H,36,38)/b9-7+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill Curated by ChEMBL					Assay Description Binding affinity to wild-type human partial length EGFR (R669 to V1011 residues) expressed in bacterial expression system by Kinomescan method				J Med Chem 62: 4772-4778 (2019) Article DOI: 10.1021/acs.jmedchem.9b00350 BindingDB Entry DOI: 10.7270/Q2RJ4NVJ
					More data for this Ligand-Target Pair

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