Compile Data Set for Download or QSAR

Found 1361 hits with Last Name = 'thompson' and Initial = 'am'   

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))	BDBM3595 (4-N-(3-bromophenyl)-7-N,7-N-dimethylpyrido[4,3-d]p...) Show SMILES CN(C)c1cc2ncnc(Nc3cccc(Br)c3)c2cn1 Show InChI InChI=1S/C15H14BrN5/c1-21(2)14-7-13-12(8-17-14)15(19-9-18-13)20-11-5-3-4-10(16)6-11/h3-9H,1-2H3,(H,18,19,20)	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	0.0900	n/a	n/a	n/a	n/a	7.4	25
University of Auckland					Assay Description IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe...				J Med Chem 40: 3915-25 (1997) Article DOI: 10.1021/jm970366v BindingDB Entry DOI: 10.7270/Q2NS0S2V
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM3594 (4-N-(3-bromophenyl)-7-N-methylpyrido[4,3-d]pyrimid...) Show SMILES CNc1cc2ncnc(Nc3cccc(Br)c3)c2cn1 Show InChI InChI=1S/C14H12BrN5/c1-16-13-6-12-11(7-17-13)14(19-8-18-12)20-10-4-2-3-9(15)5-10/h2-8H,1H3,(H,16,17)(H,18,19,20)	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	0.130	n/a	n/a	n/a	n/a	7.4	25
University of Auckland					Assay Description IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe...				J Med Chem 40: 3915-25 (1997) Article DOI: 10.1021/jm970366v BindingDB Entry DOI: 10.7270/Q2NS0S2V
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM3646 (2-({4-[(3-bromophenyl)amino]pyrido[4,3-d]pyrimidin...) Show SMILES OCCNc1cc2ncnc(Nc3cccc(Br)c3)c2cn1 Show InChI InChI=1S/C15H14BrN5O/c16-10-2-1-3-11(6-10)21-15-12-8-18-14(17-4-5-22)7-13(12)19-9-20-15/h1-3,6-9,22H,4-5H2,(H,17,18)(H,19,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.240	n/a	n/a	n/a	n/a	7.4	25
University of Auckland					Assay Description IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe...				J Med Chem 40: 3915-25 (1997) Article DOI: 10.1021/jm970366v BindingDB Entry DOI: 10.7270/Q2NS0S2V
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM3671 (4-({4-[(3-bromophenyl)amino]pyrido[4,3-d]pyrimidin...) Show SMILES OC(=O)CCCNc1cc2ncnc(Nc3cccc(Br)c3)c2cn1 Show InChI InChI=1S/C17H16BrN5O2/c18-11-3-1-4-12(7-11)23-17-13-9-20-15(8-14(13)21-10-22-17)19-6-2-5-16(24)25/h1,3-4,7-10H,2,5-6H2,(H,19,20)(H,24,25)(H,21,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.280	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland					Assay Description IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe...				J Med Chem 40: 3915-25 (1997) Article DOI: 10.1021/jm970366v BindingDB Entry DOI: 10.7270/Q2NS0S2V
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM3667 (4-N-(3-bromophenyl)-7-N-[3-(1H-imidazol-1-yl)propy...) Show SMILES Brc1cccc(Nc2ncnc3cc(NCCCn4ccnc4)ncc23)c1 Show InChI InChI=1S/C19H18BrN7/c20-14-3-1-4-15(9-14)26-19-16-11-23-18(10-17(16)24-12-25-19)22-5-2-7-27-8-6-21-13-27/h1,3-4,6,8-13H,2,5,7H2,(H,22,23)(H,24,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.510	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland					Assay Description IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe...				J Med Chem 40: 3915-25 (1997) Article DOI: 10.1021/jm970366v BindingDB Entry DOI: 10.7270/Q2NS0S2V
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM3670 (3-({4-[(3-bromophenyl)amino]pyrido[4,3-d]pyrimidin...) Show SMILES OC(=O)CCNc1cc2ncnc(Nc3cccc(Br)c3)c2cn1 Show InChI InChI=1S/C16H14BrN5O2/c17-10-2-1-3-11(6-10)22-16-12-8-19-14(18-5-4-15(23)24)7-13(12)20-9-21-16/h1-3,6-9H,4-5H2,(H,18,19)(H,23,24)(H,20,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.610	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland					Assay Description IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe...				J Med Chem 40: 3915-25 (1997) Article DOI: 10.1021/jm970366v BindingDB Entry DOI: 10.7270/Q2NS0S2V
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM3662 (4-[(3-Bromophenyl)amino]-7-[[3-(4-morpholino)propy...) Show SMILES [O-][N+]1(CCCNc2cc3ncnc(Nc4cccc(Br)c4)c3cn2)CCOCC1 Show InChI InChI=1S/C20H23BrN6O2/c21-15-3-1-4-16(11-15)26-20-17-13-23-19(12-18(17)24-14-25-20)22-5-2-6-27(28)7-9-29-10-8-27/h1,3-4,11-14H,2,5-10H2,(H,22,23)(H,24,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.740	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland					Assay Description IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe...				J Med Chem 40: 3915-25 (1997) Article DOI: 10.1021/jm970366v BindingDB Entry DOI: 10.7270/Q2NS0S2V
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM3668 (4-N-(3-bromophenyl)-7-N-[2-(1H-imidazol-4-yl)ethyl...) Show SMILES Brc1cccc(Nc2ncnc3cc(NCCc4cnc[nH]4)ncc23)c1 Show InChI InChI=1S/C18H16BrN7/c19-12-2-1-3-13(6-12)26-18-15-9-22-17(7-16(15)24-11-25-18)21-5-4-14-8-20-10-23-14/h1-3,6-11H,4-5H2,(H,20,23)(H,21,22)(H,24,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.910	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland					Assay Description IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe...				J Med Chem 40: 3915-25 (1997) Article DOI: 10.1021/jm970366v BindingDB Entry DOI: 10.7270/Q2NS0S2V
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM3648 (3-({4-[(3-bromophenyl)amino]pyrido[4,3-d]pyrimidin...) Show SMILES OCC(O)CNc1cc2ncnc(Nc3cccc(Br)c3)c2cn1 Show InChI InChI=1S/C16H16BrN5O2/c17-10-2-1-3-11(4-10)22-16-13-7-19-15(18-6-12(24)8-23)5-14(13)20-9-21-16/h1-5,7,9,12,23-24H,6,8H2,(H,18,19)(H,20,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.920	n/a	n/a	n/a	n/a	7.4	25
University of Auckland					Assay Description IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe...				J Med Chem 40: 3915-25 (1997) Article DOI: 10.1021/jm970366v BindingDB Entry DOI: 10.7270/Q2NS0S2V
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-4 (Homo sapiens (Human))	BDBM50191486 (CHEMBL3959248) Show SMILES COCCOc1cc2ncnc(Nc3ccc4n(Cc5ccccc5)ncc4c3)c2cc1NC(=O)\C=C\CN(C)C Show InChI InChI=1S/C31H33N7O3/c1-37(2)13-7-10-30(39)36-27-17-25-26(18-29(27)41-15-14-40-3)32-21-33-31(25)35-24-11-12-28-23(16-24)19-34-38(28)20-22-8-5-4-6-9-22/h4-12,16-19,21H,13-15,20H2,1-3H3,(H,36,39)(H,32,33,35)/b10-7+	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Irreversible inhibition of GST-tagged ERBB4 (unknown origin) (Gly-259 to Gly-690 residues) expressed in baculovirus infected Sf9 insect cells assesse...				J Med Chem 59: 8103-24 (2016) Article DOI: 10.1021/acs.jmedchem.6b00883 BindingDB Entry DOI: 10.7270/Q2FF3VB3
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50191587 (CHEMBL3968417) Show SMILES CN(C)C\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cn1 Show InChI InChI=1S/C19H18ClFN6O/c1-27(2)7-3-4-18(28)26-17-9-13-16(10-22-17)23-11-24-19(13)25-12-5-6-15(21)14(20)8-12/h3-6,8-11H,7H2,1-2H3,(H,22,26,28)(H,23,24,25)/b4-3+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Irreversible inhibition of full length human ERBB1 autophosphorylation transfected in EGF-stimulated mouse NIH/3T3 cells incubated for 2 hrs followed...				J Med Chem 59: 8103-24 (2016) Article DOI: 10.1021/acs.jmedchem.6b00883 BindingDB Entry DOI: 10.7270/Q2FF3VB3
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM3665 (2-{[3-({4-[(3-bromophenyl)amino]pyrido[4,3-d]pyrim...) Show SMILES OCCN(CCO)CCCNc1cc2ncnc(Nc3cccc(Br)c3)c2cn1 Show InChI InChI=1S/C20H25BrN6O2/c21-15-3-1-4-16(11-15)26-20-17-13-23-19(12-18(17)24-14-25-20)22-5-2-6-27(7-9-28)8-10-29/h1,3-4,11-14,28-29H,2,5-10H2,(H,22,23)(H,24,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland					Assay Description IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe...				J Med Chem 40: 3915-25 (1997) Article DOI: 10.1021/jm970366v BindingDB Entry DOI: 10.7270/Q2NS0S2V
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM3674 (7-(Methylamino)-4-[(3-methylphenyl)amino]pyrido-[4...) Show SMILES CNc1cc2ncnc(Nc3cccc(C)c3)c2cn1 Show InChI InChI=1S/C15H15N5/c1-10-4-3-5-11(6-10)20-15-12-8-17-14(16-2)7-13(12)18-9-19-15/h3-9H,1-2H3,(H,16,17)(H,18,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland					Assay Description IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe...				J Med Chem 40: 3915-25 (1997) Article DOI: 10.1021/jm970366v BindingDB Entry DOI: 10.7270/Q2NS0S2V
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM3673 (2-({4-[(3-bromophenyl)amino]pyrido[4,3-d]pyrimidin...) Show SMILES OS(=O)(=O)CCNc1cc2ncnc(Nc3cccc(Br)c3)c2cn1 Show InChI InChI=1S/C15H14BrN5O3S/c16-10-2-1-3-11(6-10)21-15-12-8-18-14(7-13(12)19-9-20-15)17-4-5-25(22,23)24/h1-3,6-9H,4-5H2,(H,17,18)(H,19,20,21)(H,22,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland					Assay Description IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe...				J Med Chem 40: 3915-25 (1997) Article DOI: 10.1021/jm970366v BindingDB Entry DOI: 10.7270/Q2NS0S2V
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM3669 (2-({4-[(3-bromophenyl)amino]pyrido[4,3-d]pyrimidin...) Show SMILES OC(=O)CNc1cc2ncnc(Nc3cccc(Br)c3)c2cn1 Show InChI InChI=1S/C15H12BrN5O2/c16-9-2-1-3-10(4-9)21-15-11-6-17-13(18-7-14(22)23)5-12(11)19-8-20-15/h1-6,8H,7H2,(H,17,18)(H,22,23)(H,19,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland					Assay Description IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe...				J Med Chem 40: 3915-25 (1997) Article DOI: 10.1021/jm970366v BindingDB Entry DOI: 10.7270/Q2NS0S2V
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM3660 (4-N-(3-bromophenyl)-7-N-[3-(morpholin-4-yl)propyl]...) Show SMILES Brc1cccc(Nc2ncnc3cc(NCCCN4CCOCC4)ncc23)c1 Show InChI InChI=1S/C20H23BrN6O/c21-15-3-1-4-16(11-15)26-20-17-13-23-19(12-18(17)24-14-25-20)22-5-2-6-27-7-9-28-10-8-27/h1,3-4,11-14H,2,5-10H2,(H,22,23)(H,24,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.90	n/a	n/a	n/a	n/a	7.4	25
University of Auckland					Assay Description IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe...				J Med Chem 40: 3915-25 (1997) Article DOI: 10.1021/jm970366v BindingDB Entry DOI: 10.7270/Q2NS0S2V
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (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 KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Irreversible inhibition of full length human ERBB1 autophosphorylation transfected in EGF-stimulated mouse NIH/3T3 cells incubated for 2 hrs followed...				J Med Chem 59: 8103-24 (2016) Article DOI: 10.1021/acs.jmedchem.6b00883 BindingDB Entry DOI: 10.7270/Q2FF3VB3
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50191489 (CHEMBL3942228) Show SMILES CCOc1cc2ncnc(Nc3ccc4n(Cc5ccccc5)ncc4c3)c2cc1NC(=O)\C=C\CN1CCCCC1 Show InChI InChI=1S/C33H35N7O2/c1-2-42-31-20-28-27(19-29(31)38-32(41)12-9-17-39-15-7-4-8-16-39)33(35-23-34-28)37-26-13-14-30-25(18-26)21-36-40(30)22-24-10-5-3-6-11-24/h3,5-6,9-14,18-21,23H,2,4,7-8,15-17,22H2,1H3,(H,38,41)(H,34,35,37)/b12-9+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Irreversible inhibition of full length human ERBB1 autophosphorylation transfected in EGF-stimulated mouse NIH/3T3 cells incubated for 2 hrs followed...				J Med Chem 59: 8103-24 (2016) Article DOI: 10.1021/acs.jmedchem.6b00883 BindingDB Entry DOI: 10.7270/Q2FF3VB3
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50191488 (CHEMBL3930506) Show SMILES Fc1ccc(Nc2ncnc3cnc(NC(=O)\C=C\CN4CCCCC4)cc23)cc1Cl Show InChI InChI=1S/C22H22ClFN6O/c23-17-11-15(6-7-18(17)24)28-22-16-12-20(25-13-19(16)26-14-27-22)29-21(31)5-4-10-30-8-2-1-3-9-30/h4-7,11-14H,1-3,8-10H2,(H,25,29,31)(H,26,27,28)/b5-4+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Irreversible inhibition of full length human ERBB1 autophosphorylation transfected in EGF-stimulated mouse NIH/3T3 cells incubated for 2 hrs followed...				J Med Chem 59: 8103-24 (2016) Article DOI: 10.1021/acs.jmedchem.6b00883 BindingDB Entry DOI: 10.7270/Q2FF3VB3
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50191587 (CHEMBL3968417) Show SMILES CN(C)C\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cn1 Show InChI InChI=1S/C19H18ClFN6O/c1-27(2)7-3-4-18(28)26-17-9-13-16(10-22-17)23-11-24-19(13)25-12-5-6-15(21)14(20)8-12/h3-6,8-11H,7H2,1-2H3,(H,22,26,28)(H,23,24,25)/b4-3+	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Irreversible inhibition of GST-tagged ERBB2 (unknown origin) (Ile-675 to Val-1256 residues) expressed in baculovirus infected Sf9 insect cells assess...				J Med Chem 59: 8103-24 (2016) Article DOI: 10.1021/acs.jmedchem.6b00883 BindingDB Entry DOI: 10.7270/Q2FF3VB3
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50191640 (CHEMBL3930316) Show SMILES CCC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC Show InChI InChI=1S/C18H16ClFN4O2/c1-3-17(25)24-15-7-11-14(8-16(15)26-2)21-9-22-18(11)23-10-4-5-13(20)12(19)6-10/h4-9H,3H2,1-2H3,(H,24,25)(H,21,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Irreversible inhibition of GST-tagged ERBB1 (unknown origin) (Met-668 to Ala-1211 residues) expressed in baculovirus infected Sf9 insect cells assess...				J Med Chem 59: 8103-24 (2016) Article DOI: 10.1021/acs.jmedchem.6b00883 BindingDB Entry DOI: 10.7270/Q2FF3VB3
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (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 KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Irreversible inhibition of GST-tagged ERBB1 (unknown origin) (Met-668 to Ala-1211 residues) expressed in baculovirus infected Sf9 insect cells assess...				J Med Chem 59: 8103-24 (2016) Article DOI: 10.1021/acs.jmedchem.6b00883 BindingDB Entry DOI: 10.7270/Q2FF3VB3
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50191668 (CHEMBL3950549) Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C(C)C)C(C)C Show InChI InChI=1S/C25H29ClFN5O2/c1-15(2)32(16(3)4)10-6-7-24(33)31-22-12-18-21(13-23(22)34-5)28-14-29-25(18)30-17-8-9-20(27)19(26)11-17/h6-9,11-16H,10H2,1-5H3,(H,31,33)(H,28,29,30)/b7-6+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Irreversible inhibition of GST-tagged ERBB1 (unknown origin) (Met-668 to Ala-1211 residues) expressed in baculovirus infected Sf9 insect cells assess...				J Med Chem 59: 8103-24 (2016) Article DOI: 10.1021/acs.jmedchem.6b00883 BindingDB Entry DOI: 10.7270/Q2FF3VB3
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50191587 (CHEMBL3968417) Show SMILES CN(C)C\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cn1 Show InChI InChI=1S/C19H18ClFN6O/c1-27(2)7-3-4-18(28)26-17-9-13-16(10-22-17)23-11-24-19(13)25-12-5-6-15(21)14(20)8-12/h3-6,8-11H,7H2,1-2H3,(H,22,26,28)(H,23,24,25)/b4-3+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Irreversible inhibition of GST-tagged ERBB1 (unknown origin) (Met-668 to Ala-1211 residues) expressed in baculovirus infected Sf9 insect cells assess...				J Med Chem 59: 8103-24 (2016) Article DOI: 10.1021/acs.jmedchem.6b00883 BindingDB Entry DOI: 10.7270/Q2FF3VB3
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-4 (Homo sapiens (Human))	BDBM50191661 (CHEMBL3890186) Show SMILES COCCOc1cc2ncnc(Nc3ccc4n(Cc5ccccc5)ncc4c3)c2cc1NC(=O)\C=C\CN1CCCC1 Show InChI InChI=1S/C33H35N7O3/c1-42-16-17-43-31-20-28-27(19-29(31)38-32(41)10-7-15-39-13-5-6-14-39)33(35-23-34-28)37-26-11-12-30-25(18-26)21-36-40(30)22-24-8-3-2-4-9-24/h2-4,7-12,18-21,23H,5-6,13-17,22H2,1H3,(H,38,41)(H,34,35,37)/b10-7+	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Irreversible inhibition of GST-tagged ERBB4 (unknown origin) (Gly-259 to Gly-690 residues) expressed in baculovirus infected Sf9 insect cells assesse...				J Med Chem 59: 8103-24 (2016) Article DOI: 10.1021/acs.jmedchem.6b00883 BindingDB Entry DOI: 10.7270/Q2FF3VB3
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50191654 (CHEMBL3932176) Show SMILES CCOc1cc2ncnc(Nc3ccc4n(Cc5ccccc5)ncc4c3)c2cc1NC(=O)\C=C\CN(C)C Show InChI InChI=1S/C30H31N7O2/c1-4-39-28-17-25-24(16-26(28)35-29(38)11-8-14-36(2)3)30(32-20-31-25)34-23-12-13-27-22(15-23)18-33-37(27)19-21-9-6-5-7-10-21/h5-13,15-18,20H,4,14,19H2,1-3H3,(H,35,38)(H,31,32,34)/b11-8+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Irreversible inhibition of full length human ERBB1 autophosphorylation transfected in EGF-stimulated mouse NIH/3T3 cells incubated for 2 hrs followed...				J Med Chem 59: 8103-24 (2016) Article DOI: 10.1021/acs.jmedchem.6b00883 BindingDB Entry DOI: 10.7270/Q2FF3VB3
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-4 (Homo sapiens (Human))	BDBM50191495 (CHEMBL3896779) Show SMILES O=C(Nc1cc2c(Nc3ccc(Oc4ccccc4)cc3)ncnc2cn1)\C=C\CN1CCCC1 Show InChI InChI=1S/C27H26N6O2/c34-26(9-6-16-33-14-4-5-15-33)32-25-17-23-24(18-28-25)29-19-30-27(23)31-20-10-12-22(13-11-20)35-21-7-2-1-3-8-21/h1-3,6-13,17-19H,4-5,14-16H2,(H,28,32,34)(H,29,30,31)/b9-6+	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Irreversible inhibition of GST-tagged ERBB4 (unknown origin) (Gly-259 to Gly-690 residues) expressed in baculovirus infected Sf9 insect cells assesse...				J Med Chem 59: 8103-24 (2016) Article DOI: 10.1021/acs.jmedchem.6b00883 BindingDB Entry DOI: 10.7270/Q2FF3VB3
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50191664 (CHEMBL3958006) Show SMILES Fc1ccc(Nc2ncnc3cnc(NC(=O)\C=C\CN4CCOCC4)cc23)cc1Cl Show InChI InChI=1S/C21H20ClFN6O2/c22-16-10-14(3-4-17(16)23)27-21-15-11-19(24-12-18(15)25-13-26-21)28-20(30)2-1-5-29-6-8-31-9-7-29/h1-4,10-13H,5-9H2,(H,24,28,30)(H,25,26,27)/b2-1+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Irreversible inhibition of full length human ERBB1 autophosphorylation transfected in EGF-stimulated mouse NIH/3T3 cells incubated for 2 hrs followed...				J Med Chem 59: 8103-24 (2016) Article DOI: 10.1021/acs.jmedchem.6b00883 BindingDB Entry DOI: 10.7270/Q2FF3VB3
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50245691 (9-hydroxy-6-(3-(methylamino)propyl)-4-phenylpyrrol...) Show SMILES CNCCCn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1 Show InChI InChI=1S/C24H21N3O3/c1-25-10-5-11-27-18-9-8-15(28)12-17(18)20-19(27)13-16(14-6-3-2-4-7-14)21-22(20)24(30)26-23(21)29/h2-4,6-9,12-13,25,28H,5,10-11H2,1H3,(H,26,29,30)	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	2	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of Chk1 kinase assessed as GST-Cdc25 phosphorylation by Western blot determination				Eur J Med Chem 43: 1276-96 (2008) Article DOI: 10.1016/j.ejmech.2007.07.016 BindingDB Entry DOI: 10.7270/Q26M36MC
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM3647 (2-({4-[(3-bromophenyl)amino]pyrido[4,3-d]pyrimidin...) Show SMILES CN(CCO)c1cc2ncnc(Nc3cccc(Br)c3)c2cn1 Show InChI InChI=1S/C16H16BrN5O/c1-22(5-6-23)15-8-14-13(9-18-15)16(20-10-19-14)21-12-4-2-3-11(17)7-12/h2-4,7-10,23H,5-6H2,1H3,(H,19,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.60	n/a	n/a	n/a	n/a	7.4	25
University of Auckland					Assay Description IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe...				J Med Chem 40: 3915-25 (1997) Article DOI: 10.1021/jm970366v BindingDB Entry DOI: 10.7270/Q2NS0S2V
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50191481 (CHEMBL3948267) Show SMILES O=C(Nc1cc2c(Nc3ccc4n(Cc5ccccc5)ncc4c3)ncnc2cn1)\C=C\CN1CCCC1 Show InChI InChI=1S/C29H28N8O/c38-28(9-6-14-36-12-4-5-13-36)35-27-16-24-25(18-30-27)31-20-32-29(24)34-23-10-11-26-22(15-23)17-33-37(26)19-21-7-2-1-3-8-21/h1-3,6-11,15-18,20H,4-5,12-14,19H2,(H,30,35,38)(H,31,32,34)/b9-6+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Irreversible inhibition of full length human ERBB1 autophosphorylation transfected in EGF-stimulated mouse NIH/3T3 cells incubated for 2 hrs followed...				J Med Chem 59: 8103-24 (2016) Article DOI: 10.1021/acs.jmedchem.6b00883 BindingDB Entry DOI: 10.7270/Q2FF3VB3
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-4 (Homo sapiens (Human))	BDBM50191586 (CHEMBL3977504) Show SMILES CN(C)C\C=C\C(=O)Nc1cc2c(Nc3ccc(Oc4ccccc4)cc3)ncnc2cn1 Show InChI InChI=1S/C25H24N6O2/c1-31(2)14-6-9-24(32)30-23-15-21-22(16-26-23)27-17-28-25(21)29-18-10-12-20(13-11-18)33-19-7-4-3-5-8-19/h3-13,15-17H,14H2,1-2H3,(H,26,30,32)(H,27,28,29)/b9-6+	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Irreversible inhibition of GST-tagged ERBB4 (unknown origin) (Gly-259 to Gly-690 residues) expressed in baculovirus infected Sf9 insect cells assesse...				J Med Chem 59: 8103-24 (2016) Article DOI: 10.1021/acs.jmedchem.6b00883 BindingDB Entry DOI: 10.7270/Q2FF3VB3
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM6151 (1,6-naphthyridine 20 | 3-tert-butyl-1-[3-(3,5-dime...) Show SMILES COc1cc(OC)cc(c1)-c1cc2cnc(NCCCCN3CCN(C)CC3)cc2nc1NC(=O)NC(C)(C)C Show InChI InChI=1S/C30H43N7O3/c1-30(2,3)35-29(38)34-28-25(21-15-23(39-5)18-24(16-21)40-6)17-22-20-32-27(19-26(22)33-28)31-9-7-8-10-37-13-11-36(4)12-14-37/h15-20H,7-14H2,1-6H3,(H,31,32)(H2,33,34,35,38)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland					Assay Description Tha assay was using human VEGFR-2 in DELFIA (dissociation-enhanced lanthanide fluoroimmunoassay) format. IC50 is the concentration of inhibitor that ...				J Med Chem 48: 4628-53 (2005) Article DOI: 10.1021/jm0500931 BindingDB Entry DOI: 10.7270/Q2DV1H3W
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50232242 (4-(2-chlorophenyl)-8-(3-(dimethylamino)propoxy)-9-...) Show SMILES CN(C)CCCOc1cc2[nH]c3cc(c4C(=O)NC(=O)c4c3c2cc1O)-c1ccccc1Cl Show InChI InChI=1S/C25H22ClN3O4/c1-29(2)8-5-9-33-20-12-17-15(11-19(20)30)21-18(27-17)10-14(13-6-3-4-7-16(13)26)22-23(21)25(32)28-24(22)31/h3-4,6-7,10-12,27,30H,5,8-9H2,1-2H3,(H,28,31,32)	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	3	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of Chk1				Bioorg Med Chem Lett 18: 929-33 (2008) Article DOI: 10.1016/j.bmcl.2007.12.046 BindingDB Entry DOI: 10.7270/Q2ZS2XC3
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50245342 (4-(2-Chlorophenyl)-9-hydroxy-6-[2-hydroxy-3-(methy...) Show SMILES CNCC(O)Cn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl Show InChI InChI=1S/C24H20ClN3O4/c1-26-10-13(30)11-28-18-7-6-12(29)8-16(18)20-19(28)9-15(14-4-2-3-5-17(14)25)21-22(20)24(32)27-23(21)31/h2-9,13,26,29-30H,10-11H2,1H3,(H,27,31,32)	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	3	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of Chk1 kinase assessed as GST-Cdc25 phosphorylation by Western blot determination				Eur J Med Chem 43: 1276-96 (2008) Article DOI: 10.1016/j.ejmech.2007.07.016 BindingDB Entry DOI: 10.7270/Q26M36MC
					More data for this Ligand-Target Pair				3D Structure (docked)
Receptor tyrosine-protein kinase erbB-4 (Homo sapiens (Human))	BDBM50191479 (CHEMBL3958482) Show SMILES COc1cc2ncnc(Nc3ccc(Oc4ccccc4)cc3)c2cc1NC(=O)\C=C\CN1CCCCC1 Show InChI InChI=1S/C30H31N5O3/c1-37-28-20-26-25(19-27(28)34-29(36)11-8-18-35-16-6-3-7-17-35)30(32-21-31-26)33-22-12-14-24(15-13-22)38-23-9-4-2-5-10-23/h2,4-5,8-15,19-21H,3,6-7,16-18H2,1H3,(H,34,36)(H,31,32,33)/b11-8+	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Irreversible inhibition of GST-tagged ERBB4 (unknown origin) (Gly-259 to Gly-690 residues) expressed in baculovirus infected Sf9 insect cells assesse...				J Med Chem 59: 8103-24 (2016) Article DOI: 10.1021/acs.jmedchem.6b00883 BindingDB Entry DOI: 10.7270/Q2FF3VB3
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50191646 (CHEMBL3923228) Show SMILES CCOc1cc2ncnc(Nc3ccc4n(Cc5ccccc5)ncc4c3)c2cc1NC(=O)\C=C\CN1CCCC1 Show InChI InChI=1S/C32H33N7O2/c1-2-41-30-19-27-26(18-28(30)37-31(40)11-8-16-38-14-6-7-15-38)32(34-22-33-27)36-25-12-13-29-24(17-25)20-35-39(29)21-23-9-4-3-5-10-23/h3-5,8-13,17-20,22H,2,6-7,14-16,21H2,1H3,(H,37,40)(H,33,34,36)/b11-8+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Irreversible inhibition of full length human ERBB1 autophosphorylation transfected in EGF-stimulated mouse NIH/3T3 cells incubated for 2 hrs followed...				J Med Chem 59: 8103-24 (2016) Article DOI: 10.1021/acs.jmedchem.6b00883 BindingDB Entry DOI: 10.7270/Q2FF3VB3
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-4 (Homo sapiens (Human))	BDBM50191655 (CHEMBL3970330) Show SMILES COCCOc1cc2ncnc(Nc3ccc4n(Cc5ccccc5)ncc4c3)c2cc1NC(=O)\C=C\CN1CCN(C)CC1 Show InChI InChI=1S/C34H38N8O3/c1-40-13-15-41(16-14-40)12-6-9-33(43)39-30-20-28-29(21-32(30)45-18-17-44-2)35-24-36-34(28)38-27-10-11-31-26(19-27)22-37-42(31)23-25-7-4-3-5-8-25/h3-11,19-22,24H,12-18,23H2,1-2H3,(H,39,43)(H,35,36,38)/b9-6+	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Irreversible inhibition of GST-tagged ERBB4 (unknown origin) (Gly-259 to Gly-690 residues) expressed in baculovirus infected Sf9 insect cells assesse...				J Med Chem 59: 8103-24 (2016) Article DOI: 10.1021/acs.jmedchem.6b00883 BindingDB Entry DOI: 10.7270/Q2FF3VB3
					More data for this Ligand-Target Pair
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	3	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Irreversible inhibition of GST-tagged ERBB1 (unknown origin) (Met-668 to Ala-1211 residues) expressed in baculovirus infected Sf9 insect cells assess...				J Med Chem 59: 8103-24 (2016) Article DOI: 10.1021/acs.jmedchem.6b00883 BindingDB Entry DOI: 10.7270/Q2FF3VB3
					More data for this Ligand-Target Pair				3D Structure (crystal)
Receptor tyrosine-protein kinase erbB-4 (Homo sapiens (Human))	BDBM50191502 (CHEMBL3981551) Show SMILES CN(C)C\C=C\C(=O)Nc1cc2c(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)ncnc2cn1 Show InChI InChI=1S/C26H24ClFN6O2/c1-34(2)10-4-7-25(35)33-24-13-20-22(14-29-24)30-16-31-26(20)32-19-8-9-23(21(27)12-19)36-15-17-5-3-6-18(28)11-17/h3-9,11-14,16H,10,15H2,1-2H3,(H,29,33,35)(H,30,31,32)/b7-4+	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Irreversible inhibition of GST-tagged ERBB4 (unknown origin) (Gly-259 to Gly-690 residues) expressed in baculovirus infected Sf9 insect cells assesse...				J Med Chem 59: 8103-24 (2016) Article DOI: 10.1021/acs.jmedchem.6b00883 BindingDB Entry DOI: 10.7270/Q2FF3VB3
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50191641 (CHEMBL3949347) Show SMILES CN(C)C\C=C\C(=O)Nc1cc2c(Nc3ccc4n(Cc5ccccc5)ncc4c3)ncnc2cn1 Show InChI InChI=1S/C27H26N8O/c1-34(2)12-6-9-26(36)33-25-14-22-23(16-28-25)29-18-30-27(22)32-21-10-11-24-20(13-21)15-31-35(24)17-19-7-4-3-5-8-19/h3-11,13-16,18H,12,17H2,1-2H3,(H,28,33,36)(H,29,30,32)/b9-6+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Irreversible inhibition of full length human ERBB1 autophosphorylation transfected in EGF-stimulated mouse NIH/3T3 cells incubated for 2 hrs followed...				J Med Chem 59: 8103-24 (2016) Article DOI: 10.1021/acs.jmedchem.6b00883 BindingDB Entry DOI: 10.7270/Q2FF3VB3
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-4 (Homo sapiens (Human))	BDBM50191654 (CHEMBL3932176) Show SMILES CCOc1cc2ncnc(Nc3ccc4n(Cc5ccccc5)ncc4c3)c2cc1NC(=O)\C=C\CN(C)C Show InChI InChI=1S/C30H31N7O2/c1-4-39-28-17-25-24(16-26(28)35-29(38)11-8-14-36(2)3)30(32-20-31-25)34-23-12-13-27-22(15-23)18-33-37(27)19-21-9-6-5-7-10-21/h5-13,15-18,20H,4,14,19H2,1-3H3,(H,35,38)(H,31,32,34)/b11-8+	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Irreversible inhibition of GST-tagged ERBB4 (unknown origin) (Gly-259 to Gly-690 residues) expressed in baculovirus infected Sf9 insect cells assesse...				J Med Chem 59: 8103-24 (2016) Article DOI: 10.1021/acs.jmedchem.6b00883 BindingDB Entry DOI: 10.7270/Q2FF3VB3
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-4 (Homo sapiens (Human))	BDBM50191589 (CHEMBL3986103) Show SMILES CCOc1cc2ncnc(Nc3ccc(NS(=O)(=O)c4ccccc4)cc3)c2cc1NC(=O)\C=C\CN1CCCC1 Show InChI InChI=1S/C30H32N6O4S/c1-2-40-28-20-26-25(19-27(28)34-29(37)11-8-18-36-16-6-7-17-36)30(32-21-31-26)33-22-12-14-23(15-13-22)35-41(38,39)24-9-4-3-5-10-24/h3-5,8-15,19-21,35H,2,6-7,16-18H2,1H3,(H,34,37)(H,31,32,33)/b11-8+	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Irreversible inhibition of GST-tagged ERBB4 (unknown origin) (Gly-259 to Gly-690 residues) expressed in baculovirus infected Sf9 insect cells assesse...				J Med Chem 59: 8103-24 (2016) Article DOI: 10.1021/acs.jmedchem.6b00883 BindingDB Entry DOI: 10.7270/Q2FF3VB3
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-4 (Homo sapiens (Human))	BDBM50191641 (CHEMBL3949347) Show SMILES CN(C)C\C=C\C(=O)Nc1cc2c(Nc3ccc4n(Cc5ccccc5)ncc4c3)ncnc2cn1 Show InChI InChI=1S/C27H26N8O/c1-34(2)12-6-9-26(36)33-25-14-22-23(16-28-25)29-18-30-27(22)32-21-10-11-24-20(13-21)15-31-35(24)17-19-7-4-3-5-8-19/h3-11,13-16,18H,12,17H2,1-2H3,(H,28,33,36)(H,29,30,32)/b9-6+	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Irreversible inhibition of GST-tagged ERBB4 (unknown origin) (Gly-259 to Gly-690 residues) expressed in baculovirus infected Sf9 insect cells assesse...				J Med Chem 59: 8103-24 (2016) Article DOI: 10.1021/acs.jmedchem.6b00883 BindingDB Entry DOI: 10.7270/Q2FF3VB3
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM3659 (4-N-(3-bromophenyl)-7-N-[2-(morpholin-4-yl)ethyl]p...) Show SMILES Brc1cccc(Nc2ncnc3cc(NCCN4CCOCC4)ncc23)c1 Show InChI InChI=1S/C19H21BrN6O/c20-14-2-1-3-15(10-14)25-19-16-12-22-18(11-17(16)23-13-24-19)21-4-5-26-6-8-27-9-7-26/h1-3,10-13H,4-9H2,(H,21,22)(H,23,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	7.4	25
University of Auckland					Assay Description IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe...				J Med Chem 40: 3915-25 (1997) Article DOI: 10.1021/jm970366v BindingDB Entry DOI: 10.7270/Q2NS0S2V
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM3653 (4-[(3-Bromophenyl)amino]-7-(N-methyl-D-glucamino)-...) Show SMILES CN(CC(O)C(O)C(O)C(O)CO)c1cc2ncnc(Nc3cccc(Br)c3)c2cn1 Show InChI InChI=1S/C20H24BrN5O5/c1-26(8-15(28)18(30)19(31)16(29)9-27)17-6-14-13(7-22-17)20(24-10-23-14)25-12-4-2-3-11(21)5-12/h2-7,10,15-16,18-19,27-31H,8-9H2,1H3,(H,23,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	7.4	25
University of Auckland					Assay Description IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe...				J Med Chem 40: 3915-25 (1997) Article DOI: 10.1021/jm970366v BindingDB Entry DOI: 10.7270/Q2NS0S2V
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM3649 (3-({4-[(3-bromophenyl)amino]pyrido[4,3-d]pyrimidin...) Show SMILES CN(CC(O)CO)c1cc2ncnc(Nc3cccc(Br)c3)c2cn1 Show InChI InChI=1S/C17H18BrN5O2/c1-23(8-13(25)9-24)16-6-15-14(7-19-16)17(21-10-20-15)22-12-4-2-3-11(18)5-12/h2-7,10,13,24-25H,8-9H2,1H3,(H,20,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	7.4	25
University of Auckland					Assay Description IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe...				J Med Chem 40: 3915-25 (1997) Article DOI: 10.1021/jm970366v BindingDB Entry DOI: 10.7270/Q2NS0S2V
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM3678 (7-N-[3-(1H-imidazol-1-yl)propyl]-4-N-(3-methylphen...) Show SMILES Cc1cccc(Nc2ncnc3cc(NCCCn4ccnc4)ncc23)c1 Show InChI InChI=1S/C20H21N7/c1-15-4-2-5-16(10-15)26-20-17-12-23-19(11-18(17)24-13-25-20)22-6-3-8-27-9-7-21-14-27/h2,4-5,7,9-14H,3,6,8H2,1H3,(H,22,23)(H,24,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.5	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland					Assay Description IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe...				J Med Chem 40: 3915-25 (1997) Article DOI: 10.1021/jm970366v BindingDB Entry DOI: 10.7270/Q2NS0S2V
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-4 (Homo sapiens (Human))	BDBM50191481 (CHEMBL3948267) Show SMILES O=C(Nc1cc2c(Nc3ccc4n(Cc5ccccc5)ncc4c3)ncnc2cn1)\C=C\CN1CCCC1 Show InChI InChI=1S/C29H28N8O/c38-28(9-6-14-36-12-4-5-13-36)35-27-16-24-25(18-30-27)31-20-32-29(24)34-23-10-11-26-22(15-23)17-33-37(26)19-21-7-2-1-3-8-21/h1-3,6-11,15-18,20H,4-5,12-14,19H2,(H,30,35,38)(H,31,32,34)/b9-6+	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL 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 Auckland Curated by ChEMBL					Assay Description Irreversible inhibition of GST-tagged ERBB4 (unknown origin) (Gly-259 to Gly-690 residues) expressed in baculovirus infected Sf9 insect cells assesse...				J Med Chem 59: 8103-24 (2016) Article DOI: 10.1021/acs.jmedchem.6b00883 BindingDB Entry DOI: 10.7270/Q2FF3VB3
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-4 (Homo sapiens (Human))	BDBM50191644 (CHEMBL3969056) Show SMILES CN(C)C\C=C\C(=O)Nc1cc2c(Nc3ccc(Cc4ccccn4)cc3)ncnc2cn1 Show InChI InChI=1S/C25H25N7O/c1-32(2)13-5-7-24(33)31-23-15-21-22(16-27-23)28-17-29-25(21)30-19-10-8-18(9-11-19)14-20-6-3-4-12-26-20/h3-12,15-17H,13-14H2,1-2H3,(H,27,31,33)(H,28,29,30)/b7-5+	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL 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 Auckland Curated by ChEMBL					Assay Description Irreversible inhibition of GST-tagged ERBB4 (unknown origin) (Gly-259 to Gly-690 residues) expressed in baculovirus infected Sf9 insect cells assesse...				J Med Chem 59: 8103-24 (2016) Article DOI: 10.1021/acs.jmedchem.6b00883 BindingDB Entry DOI: 10.7270/Q2FF3VB3
					More data for this Ligand-Target Pair

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