Compile Data Set for Download or QSAR

Found 58 hits Enz. Inhib. hit(s) with Target = 'EGF-R Tyrosine Kinase'   

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
EGF-R Tyrosine Kinase (Homo sapiens (human))	BDBM4567 (4-anilinoquinazoline deriv. 2 | BMC163482 Compound...) Show SMILES Brc1cccc(Nc2ncnc3ccc(NC(=O)C=C)cc23)c1 Show InChI InChI=1S/C17H13BrN4O/c1-2-16(23)21-13-6-7-15-14(9-13)17(20-10-19-15)22-12-5-3-4-11(18)8-12/h2-10H,1H2,(H,21,23)(H,19,20,22)	PDB MMDB B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	0.0800	n/a	n/a	n/a	n/a	7.5	23
Chemical Genomics Centre of the Max Planck Society					Assay Description The kinase reaction for EGFR consisted of BSA-supplemented kinase buffer, kinase, peptide, and ATP. For IC50 determinations, 10 different concentrati...				Bioorg Med Chem 16: 3482-8 (2008) Article DOI: 10.1016/j.bmc.2008.02.053 BindingDB Entry DOI: 10.7270/Q2R20ZQ4
					More data for this Ligand-Target Pair				3D Structure (crystal)
EGF-R Tyrosine Kinase (Homo sapiens (human))	BDBM4583 ((2E)-N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}-4...) Show SMILES CN(C)C\C=C\C(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1 Show InChI InChI=1S/C20H20BrN5O/c1-26(2)10-4-7-19(27)24-16-8-9-18-17(12-16)20(23-13-22-18)25-15-6-3-5-14(21)11-15/h3-9,11-13H,10H2,1-2H3,(H,24,27)(H,22,23,25)/b7-4+	PDB MMDB B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL DrugBank PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	0.220	n/a	n/a	n/a	n/a	7.5	23
Chemical Genomics Centre of the Max Planck Society					Assay Description The kinase reaction for EGFR consisted of BSA-supplemented kinase buffer, kinase, peptide, and ATP. For IC50 determinations, 10 different concentrati...				Bioorg Med Chem 16: 3482-8 (2008) Article DOI: 10.1016/j.bmc.2008.02.053 BindingDB Entry DOI: 10.7270/Q2R20ZQ4
					More data for this Ligand-Target Pair
EGF-R Tyrosine Kinase (Homo sapiens (human))	BDBM31826 (4-aminoquinazoline, 2a | BMC163482 Compound 3 | CH...) Show SMILES CCC(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1 Show InChI InChI=1S/C17H15BrN4O/c1-2-16(23)21-13-6-7-15-14(9-13)17(20-10-19-15)22-12-5-3-4-11(18)8-12/h3-10H,2H2,1H3,(H,21,23)(H,19,20,22)	PDB MMDB B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	0.430	n/a	n/a	n/a	n/a	7.5	23
Chemical Genomics Centre of the Max Planck Society					Assay Description The kinase reaction for EGFR consisted of BSA-supplemented kinase buffer, kinase, peptide, and ATP. For IC50 determinations, 10 different concentrati...				Bioorg Med Chem 16: 3482-8 (2008) Article DOI: 10.1016/j.bmc.2008.02.053 BindingDB Entry DOI: 10.7270/Q2R20ZQ4
					More data for this Ligand-Target Pair				3D Structure (crystal)
EGF-R Tyrosine Kinase Mutant (T790M) (Homo sapiens (human))	BDBM4567 (4-anilinoquinazoline deriv. 2 | BMC163482 Compound...) Show SMILES Brc1cccc(Nc2ncnc3ccc(NC(=O)C=C)cc23)c1 Show InChI InChI=1S/C17H13BrN4O/c1-2-16(23)21-13-6-7-15-14(9-13)17(20-10-19-15)22-12-5-3-4-11(18)8-12/h2-10H,1H2,(H,21,23)(H,19,20,22)	PDB MMDB B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	7.5	23
Chemical Genomics Centre of the Max Planck Society					Assay Description The kinase reaction for EGFR consisted of BSA-supplemented kinase buffer, kinase, peptide, and ATP. For IC50 determinations, 10 different concentrati...				Bioorg Med Chem 16: 3482-8 (2008) Article DOI: 10.1016/j.bmc.2008.02.053 BindingDB Entry DOI: 10.7270/Q2R20ZQ4
					More data for this Ligand-Target Pair				3D Structure (crystal)
EGF-R Tyrosine Kinase (Homo sapiens (human))	BDBM50123162 (CHEMBL3622673 | US9388160, 11) Show SMILES CCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1NC(=O)\C=C\CN1CCCCC1 Show InChI InChI=1S/C27H29N5O2/c1-3-20-10-8-11-21(16-20)30-27-22-17-24(25(34-4-2)18-23(22)28-19-29-27)31-26(33)12-9-15-32-13-6-5-7-14-32/h1,8-12,16-19H,4-7,13-15H2,2H3,(H,31,33)(H,28,29,30)/b12-9+	PDB MMDB B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars		n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
Teligene Ltd US Patent					Assay Description The assay was performed using Kinase-Glo Plus luminescence kinase assay kit (Promega). The compounds were diluted in 10% DMSO and 5 μl of the dilu...				US Patent US9388160 (2016) BindingDB Entry DOI: 10.7270/Q2T152J9
					More data for this Ligand-Target Pair
EGF-R Tyrosine Kinase Mutant (L858R) (Homo sapiens (human))	BDBM27970 (1-{4-[4-(cyclopropylmethyl)piperazin-1-yl]cyclohex...) Show SMILES COc1ccccc1Cc1nc2ccc(cc2[nH]1)-c1nn([C@H]2CC[C@@H](CC2)N2CCN(CC3CC3)CC2)c2ncnc(N)c12 Show InChI InChI=1S/C34H41N9O/c1-44-29-5-3-2-4-23(29)19-30-38-27-13-8-24(18-28(27)39-30)32-31-33(35)36-21-37-34(31)43(40-32)26-11-9-25(10-12-26)42-16-14-41(15-17-42)20-22-6-7-22/h2-5,8,13,18,21-22,25-26H,6-7,9-12,14-17,19-20H2,1H3,(H,38,39)(H2,35,36,37)/t25-,26-	PDB MMDB B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	7.5	23
Abbott Laboratories					Assay Description Assays were performed in 96-well microtiter plates in reaction buffer containing biotinylated substrate, ATP, and purified kinase in the presence of ...				Bioorg Med Chem Lett 19: 1718-21 (2009) Article DOI: 10.1016/j.bmcl.2009.01.086 BindingDB Entry DOI: 10.7270/Q2CJ8BTG
					More data for this Ligand-Target Pair
EGF-R Tyrosine Kinase Mutant (T790M) (Homo sapiens (human))	BDBM4583 ((2E)-N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}-4...) Show SMILES CN(C)C\C=C\C(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1 Show InChI InChI=1S/C20H20BrN5O/c1-26(2)10-4-7-19(27)24-16-8-9-18-17(12-16)20(23-13-22-18)25-15-6-3-5-14(21)11-15/h3-9,11-13H,10H2,1-2H3,(H,24,27)(H,22,23,25)/b7-4+	PDB MMDB B.MOAD GoogleScholar AffyNet	CHEMBL DrugBank PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	7.5	23
Chemical Genomics Centre of the Max Planck Society					Assay Description The kinase reaction for EGFR consisted of BSA-supplemented kinase buffer, kinase, peptide, and ATP. For IC50 determinations, 10 different concentrati...				Bioorg Med Chem 16: 3482-8 (2008) Article DOI: 10.1016/j.bmc.2008.02.053 BindingDB Entry DOI: 10.7270/Q2R20ZQ4
					More data for this Ligand-Target Pair
EGF-R Tyrosine 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 B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	3.60	n/a	n/a	n/a	n/a	7.5	23
Chemical Genomics Centre of the Max Planck Society					Assay Description The kinase reaction for EGFR consisted of BSA-supplemented kinase buffer, kinase, peptide, and ATP. For IC50 determinations, 10 different concentrati...				Bioorg Med Chem 16: 3482-8 (2008) Article DOI: 10.1016/j.bmc.2008.02.053 BindingDB Entry DOI: 10.7270/Q2R20ZQ4
					More data for this Ligand-Target Pair				3D Structure (crystal)
EGF-R Tyrosine Kinase (Homo sapiens (human))	BDBM238270 (US9409887, I-1) Show SMILES COc1cc(NC2CN(CCF)C2)ccc1Nc1ncc(c(Nc2cccc(NC(=O)C=C)c2)n1)C(F)(F)F Show InChI InChI=1S/C26H27F4N7O2/c1-3-23(38)33-16-5-4-6-17(11-16)34-24-20(26(28,29)30)13-31-25(36-24)35-21-8-7-18(12-22(21)39-2)32-19-14-37(15-19)10-9-27/h3-8,11-13,19,32H,1,9-10,14-15H2,2H3,(H,33,38)(H2,31,34,35,36)	PDB MMDB B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Celgene Avilomics Research, Inc. US Patent					Assay Description Briefly, 10× stocks of EGFR-WT (PV3872) from Invitrogen and EGFR-T790M/L858R (40350) from BPS Bioscience, San Diego, Calif., 1.13×ATP (AS...				US Patent US9409887 (2016) BindingDB Entry DOI: 10.7270/Q2028QDD
					More data for this Ligand-Target Pair
EGF-R Tyrosine Kinase (Homo sapiens (human))	BDBM238271 (US9409887, I-2) Show SMILES COc1cc(NC2CN(C2)C(C)=O)ccc1Nc1ncc(c(Nc2cccc(NC(=O)C=C)c2)n1)C(F)(F)F Show InChI InChI=1S/C26H26F3N7O3/c1-4-23(38)32-16-6-5-7-17(10-16)33-24-20(26(27,28)29)12-30-25(35-24)34-21-9-8-18(11-22(21)39-3)31-19-13-36(14-19)15(2)37/h4-12,19,31H,1,13-14H2,2-3H3,(H,32,38)(H2,30,33,34,35)	PDB MMDB B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Celgene Avilomics Research, Inc. US Patent					Assay Description Briefly, 10× stocks of EGFR-WT (PV3872) from Invitrogen and EGFR-T790M/L858R (40350) from BPS Bioscience, San Diego, Calif., 1.13×ATP (AS...				US Patent US9409887 (2016) BindingDB Entry DOI: 10.7270/Q2028QDD
					More data for this Ligand-Target Pair
EGF-R Tyrosine Kinase (Homo sapiens (human))	BDBM50123162 (CHEMBL3622673 | US9388160, 11) Show SMILES CCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1NC(=O)\C=C\CN1CCCCC1 Show InChI InChI=1S/C27H29N5O2/c1-3-20-10-8-11-21(16-20)30-27-22-17-24(25(34-4-2)18-23(22)28-19-29-27)31-26(33)12-9-15-32-13-6-5-7-14-32/h1,8-12,16-19H,4-7,13-15H2,2H3,(H,31,33)(H,28,29,30)/b12-9+	PDB MMDB B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars		n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
Teligene Ltd US Patent					Assay Description The assay was performed using Kinase-Glo Plus luminescence kinase assay kit (Promega). The compounds were diluted in 10% DMSO and 5 μl of the dilu...				US Patent US9388160 (2016) BindingDB Entry DOI: 10.7270/Q2T152J9
					More data for this Ligand-Target Pair
EGF-R Tyrosine Kinase (Homo sapiens (human))	BDBM238274 (US9409887, I-5) Show SMILES COc1cc(NC(C)C)ccc1Nc1ncc(c(Nc2cccc(NC(=O)C=C)c2)n1)C(F)(F)F Show InChI InChI=1S/C24H25F3N6O2/c1-5-21(34)30-15-7-6-8-16(11-15)31-22-18(24(25,26)27)13-28-23(33-22)32-19-10-9-17(29-14(2)3)12-20(19)35-4/h5-14,29H,1H2,2-4H3,(H,30,34)(H2,28,31,32,33)	PDB MMDB B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Celgene Avilomics Research, Inc. US Patent					Assay Description Briefly, 10× stocks of EGFR-WT (PV3872) from Invitrogen and EGFR-T790M/L858R (40350) from BPS Bioscience, San Diego, Calif., 1.13×ATP (AS...				US Patent US9409887 (2016) BindingDB Entry DOI: 10.7270/Q2028QDD
					More data for this Ligand-Target Pair
EGF-R Tyrosine Kinase Mutant (L858R) (Homo sapiens (human))	BDBM27968 (4-[4-(4-amino-3-{2-[(2-methoxyphenyl)methyl]-1H-1,...) Show SMILES COc1ccccc1Cc1nc2ccc(cc2[nH]1)-c1nn([C@H]2CC[C@@H](CC2)N2CCN(CC2)C(=O)N(C)C)c2ncnc(N)c12 Show InChI InChI=1S/C33H40N10O2/c1-40(2)33(44)42-16-14-41(15-17-42)23-9-11-24(12-10-23)43-32-29(31(34)35-20-36-32)30(39-43)22-8-13-25-26(18-22)38-28(37-25)19-21-6-4-5-7-27(21)45-3/h4-8,13,18,20,23-24H,9-12,14-17,19H2,1-3H3,(H,37,38)(H2,34,35,36)/t23-,24-	PDB MMDB B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	7.5	23
Abbott Laboratories					Assay Description Assays were performed in 96-well microtiter plates in reaction buffer containing biotinylated substrate, ATP, and purified kinase in the presence of ...				Bioorg Med Chem Lett 19: 1718-21 (2009) Article DOI: 10.1016/j.bmcl.2009.01.086 BindingDB Entry DOI: 10.7270/Q2CJ8BTG
					More data for this Ligand-Target Pair
EGF-R Tyrosine Kinase Mutant (L858R) (Homo sapiens (human))	BDBM27965 (3-{2-[(2-methoxyphenyl)methyl]-1H-1,3-benzodiazol-...) Show SMILES COc1ccccc1Cc1nc2ccc(cc2[nH]1)-c1nn([C@H]2CC[C@@H](CC2)N2CCNCC2)c2ncnc(N)c12 Show InChI InChI=1S/C30H35N9O/c1-40-25-5-3-2-4-19(25)17-26-35-23-11-6-20(16-24(23)36-26)28-27-29(31)33-18-34-30(27)39(37-28)22-9-7-21(8-10-22)38-14-12-32-13-15-38/h2-6,11,16,18,21-22,32H,7-10,12-15,17H2,1H3,(H,35,36)(H2,31,33,34)/t21-,22-	PDB MMDB B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	7.5	23
Abbott Laboratories					Assay Description Assays were performed in 96-well microtiter plates in reaction buffer containing biotinylated substrate, ATP, and purified kinase in the presence of ...				Bioorg Med Chem Lett 19: 1718-21 (2009) Article DOI: 10.1016/j.bmcl.2009.01.086 BindingDB Entry DOI: 10.7270/Q2CJ8BTG
					More data for this Ligand-Target Pair
EGF-R Tyrosine Kinase Mutant (L858R) (Homo sapiens (human))	BDBM27967 (ethyl 4-[4-(4-amino-3-{2-[(2-methoxyphenyl)methyl]...) Show SMILES CCOC(=O)N1CCN(CC1)[C@H]1CC[C@@H](CC1)n1nc(-c2ccc3nc(Cc4ccccc4OC)[nH]c3c2)c2c(N)ncnc12 Show InChI InChI=1S/C33H39N9O3/c1-3-45-33(43)41-16-14-40(15-17-41)23-9-11-24(12-10-23)42-32-29(31(34)35-20-36-32)30(39-42)22-8-13-25-26(18-22)38-28(37-25)19-21-6-4-5-7-27(21)44-2/h4-8,13,18,20,23-24H,3,9-12,14-17,19H2,1-2H3,(H,37,38)(H2,34,35,36)/t23-,24-	PDB MMDB B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	7.5	23
Abbott Laboratories					Assay Description Assays were performed in 96-well microtiter plates in reaction buffer containing biotinylated substrate, ATP, and purified kinase in the presence of ...				Bioorg Med Chem Lett 19: 1718-21 (2009) Article DOI: 10.1016/j.bmcl.2009.01.086 BindingDB Entry DOI: 10.7270/Q2CJ8BTG
					More data for this Ligand-Target Pair
EGF-R Tyrosine Kinase Mutant (L858R) (Homo sapiens (human))	BDBM27969 (3-{2-[(2-methoxyphenyl)methyl]-1H-1,3-benzodiazol-...) Show SMILES COCCCN1CCN(CC1)[C@H]1CC[C@@H](CC1)n1nc(-c2ccc3nc(Cc4ccccc4OC)[nH]c3c2)c2c(N)ncnc12 Show InChI InChI=1S/C34H43N9O2/c1-44-19-5-14-41-15-17-42(18-16-41)25-9-11-26(12-10-25)43-34-31(33(35)36-22-37-34)32(40-43)24-8-13-27-28(20-24)39-30(38-27)21-23-6-3-4-7-29(23)45-2/h3-4,6-8,13,20,22,25-26H,5,9-12,14-19,21H2,1-2H3,(H,38,39)(H2,35,36,37)/t25-,26-	PDB MMDB B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	58	n/a	n/a	n/a	n/a	7.5	23
Abbott Laboratories					Assay Description Assays were performed in 96-well microtiter plates in reaction buffer containing biotinylated substrate, ATP, and purified kinase in the presence of ...				Bioorg Med Chem Lett 19: 1718-21 (2009) Article DOI: 10.1016/j.bmcl.2009.01.086 BindingDB Entry DOI: 10.7270/Q2CJ8BTG
					More data for this Ligand-Target Pair
EGF-R Tyrosine Kinase Mutant (L858R) (Homo sapiens (human))	BDBM27964 (3-(2-(2-methoxybenzyl)-1H-benzo[d]imidazol-5-yl)-1...) Show SMILES COc1ccccc1Cc1nc2ccc(cc2[nH]1)-c1nn([C@H]2CC[C@@H](CC2)N2CCOCC2)c2ncnc(N)c12 Show InChI InChI=1S/C30H34N8O2/c1-39-25-5-3-2-4-19(25)17-26-34-23-11-6-20(16-24(23)35-26)28-27-29(31)32-18-33-30(27)38(36-28)22-9-7-21(8-10-22)37-12-14-40-15-13-37/h2-6,11,16,18,21-22H,7-10,12-15,17H2,1H3,(H,34,35)(H2,31,32,33)/t21-,22-	PDB MMDB B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	58	n/a	n/a	n/a	n/a	7.5	23
Abbott Laboratories					Assay Description Assays were performed in 96-well microtiter plates in reaction buffer containing biotinylated substrate, ATP, and purified kinase in the presence of ...				Bioorg Med Chem Lett 19: 1718-21 (2009) Article DOI: 10.1016/j.bmcl.2009.01.086 BindingDB Entry DOI: 10.7270/Q2CJ8BTG
					More data for this Ligand-Target Pair
EGF-R Tyrosine Kinase Mutant (L858R) (Homo sapiens (human))	BDBM27963 (3-(2-(2-chlorobenzyl)-1H-benzo[d]imidazol-5-yl)-1-...) Show SMILES Nc1ncnc2n(nc(-c3ccc4nc(Cc5ccccc5Cl)[nH]c4c3)c12)[C@H]1CC[C@@H](CC1)N1CCOCC1 Show InChI InChI=1S/C29H31ClN8O/c30-22-4-2-1-3-18(22)16-25-34-23-10-5-19(15-24(23)35-25)27-26-28(31)32-17-33-29(26)38(36-27)21-8-6-20(7-9-21)37-11-13-39-14-12-37/h1-5,10,15,17,20-21H,6-9,11-14,16H2,(H,34,35)(H2,31,32,33)/t20-,21-	PDB MMDB B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	65	n/a	n/a	n/a	n/a	7.5	23
Abbott Laboratories					Assay Description Assays were performed in 96-well microtiter plates in reaction buffer containing biotinylated substrate, ATP, and purified kinase in the presence of ...				Bioorg Med Chem Lett 19: 1718-21 (2009) Article DOI: 10.1016/j.bmcl.2009.01.086 BindingDB Entry DOI: 10.7270/Q2CJ8BTG
					More data for this Ligand-Target Pair
EGF-R Tyrosine Kinase (Homo sapiens (human))	BDBM238273 (US9409887, I-4) Show SMILES COc1cc(NC(C)C)ccc1Nc1ncc(Cl)c(Nc2cccc(NC(=O)C=C)c2)n1 Show InChI InChI=1S/C23H25ClN6O2/c1-5-21(31)27-15-7-6-8-16(11-15)28-22-18(24)13-25-23(30-22)29-19-10-9-17(26-14(2)3)12-20(19)32-4/h5-14,26H,1H2,2-4H3,(H,27,31)(H2,25,28,29,30)	PDB MMDB B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	65	n/a	n/a	n/a	n/a	n/a	n/a
Celgene Avilomics Research, Inc. US Patent					Assay Description Briefly, 10× stocks of EGFR-WT (PV3872) from Invitrogen and EGFR-T790M/L858R (40350) from BPS Bioscience, San Diego, Calif., 1.13×ATP (AS...				US Patent US9409887 (2016) BindingDB Entry DOI: 10.7270/Q2028QDD
					More data for this Ligand-Target Pair
EGF-R Tyrosine Kinase Mutant (L858R) (Homo sapiens (human))	BDBM27966 (1-{4-[4-(4-amino-3-{2-[(2-methoxyphenyl)methyl]-1H...) Show SMILES COc1ccccc1Cc1nc2ccc(cc2[nH]1)-c1nn([C@H]2CC[C@@H](CC2)N2CCN(CC2)C(C)=O)c2ncnc(N)c12 Show InChI InChI=1S/C32H37N9O2/c1-20(42)39-13-15-40(16-14-39)23-8-10-24(11-9-23)41-32-29(31(33)34-19-35-32)30(38-41)22-7-12-25-26(17-22)37-28(36-25)18-21-5-3-4-6-27(21)43-2/h3-7,12,17,19,23-24H,8-11,13-16,18H2,1-2H3,(H,36,37)(H2,33,34,35)/t23-,24-	PDB MMDB B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	7.5	23
Abbott Laboratories					Assay Description Assays were performed in 96-well microtiter plates in reaction buffer containing biotinylated substrate, ATP, and purified kinase in the presence of ...				Bioorg Med Chem Lett 19: 1718-21 (2009) Article DOI: 10.1016/j.bmcl.2009.01.086 BindingDB Entry DOI: 10.7270/Q2CJ8BTG
					More data for this Ligand-Target Pair
EGF-R Tyrosine Kinase (Homo sapiens (human))	BDBM238272 (US9409887, I-3) Show SMILES COc1cc(NC2CN(C2)C(=O)OC(C)(C)C)ccc1Nc1ncc(c(Nc2cccc(NC(=O)C=C)c2)n1)C(F)(F)F Show InChI InChI=1S/C29H32F3N7O4/c1-6-24(40)35-17-8-7-9-18(12-17)36-25-21(29(30,31)32)14-33-26(38-25)37-22-11-10-19(13-23(22)42-5)34-20-15-39(16-20)27(41)43-28(2,3)4/h6-14,20,34H,1,15-16H2,2-5H3,(H,35,40)(H2,33,36,37,38)	PDB MMDB B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Celgene Avilomics Research, Inc. US Patent					Assay Description Briefly, 10× stocks of EGFR-WT (PV3872) from Invitrogen and EGFR-T790M/L858R (40350) from BPS Bioscience, San Diego, Calif., 1.13×ATP (AS...				US Patent US9409887 (2016) BindingDB Entry DOI: 10.7270/Q2028QDD
					More data for this Ligand-Target Pair
EGF-R Tyrosine Kinase Mutant (T790M) (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 B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	260	n/a	n/a	n/a	n/a	7.5	23
Chemical Genomics Centre of the Max Planck Society					Assay Description The kinase reaction for EGFR consisted of BSA-supplemented kinase buffer, kinase, peptide, and ATP. For IC50 determinations, 10 different concentrati...				Bioorg Med Chem 16: 3482-8 (2008) Article DOI: 10.1016/j.bmc.2008.02.053 BindingDB Entry DOI: 10.7270/Q2R20ZQ4
					More data for this Ligand-Target Pair				3D Structure (crystal)
EGF-R Tyrosine Kinase Mutant (L858R) (Homo sapiens (human))	BDBM27961 (3-(2-benzyl-1H-1,3-benzodiazol-6-yl)-1-[4-(morphol...) Show SMILES Nc1ncnc2n(nc(-c3ccc4nc(Cc5ccccc5)[nH]c4c3)c12)[C@H]1CC[C@@H](CC1)N1CCOCC1 Show InChI InChI=1S/C29H32N8O/c30-28-26-27(20-6-11-23-24(17-20)34-25(33-23)16-19-4-2-1-3-5-19)35-37(29(26)32-18-31-28)22-9-7-21(8-10-22)36-12-14-38-15-13-36/h1-6,11,17-18,21-22H,7-10,12-16H2,(H,33,34)(H2,30,31,32)/t21-,22-	PDB MMDB B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	270	n/a	n/a	n/a	n/a	7.5	23
Abbott Laboratories					Assay Description Assays were performed in 96-well microtiter plates in reaction buffer containing biotinylated substrate, ATP, and purified kinase in the presence of ...				Bioorg Med Chem Lett 19: 1718-21 (2009) Article DOI: 10.1016/j.bmcl.2009.01.086 BindingDB Entry DOI: 10.7270/Q2CJ8BTG
					More data for this Ligand-Target Pair
EGF-R Tyrosine Kinase Mutant (T790M) (Homo sapiens (human))	BDBM31826 (4-aminoquinazoline, 2a | BMC163482 Compound 3 | CH...) Show SMILES CCC(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1 Show InChI InChI=1S/C17H15BrN4O/c1-2-16(23)21-13-6-7-15-14(9-13)17(20-10-19-15)22-12-5-3-4-11(18)8-12/h3-10H,2H2,1H3,(H,21,23)(H,19,20,22)	PDB MMDB B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	360	n/a	n/a	n/a	n/a	7.5	23
Chemical Genomics Centre of the Max Planck Society					Assay Description The kinase reaction for EGFR consisted of BSA-supplemented kinase buffer, kinase, peptide, and ATP. For IC50 determinations, 10 different concentrati...				Bioorg Med Chem 16: 3482-8 (2008) Article DOI: 10.1016/j.bmc.2008.02.053 BindingDB Entry DOI: 10.7270/Q2R20ZQ4
					More data for this Ligand-Target Pair				3D Structure (crystal)
EGF-R Tyrosine Kinase Mutant (L858R) (Homo sapiens (human))	BDBM27962 (1-((1r,4r)-4-morpholinocyclohexyl)-3-(2-(thiophen-...) Show SMILES Nc1ncnc2n(nc(-c3ccc4nc(Cc5cccs5)[nH]c4c3)c12)[C@H]1CC[C@@H](CC1)N1CCOCC1 Show InChI InChI=1S/C27H30N8OS/c28-26-24-25(17-3-8-21-22(14-17)32-23(31-21)15-20-2-1-13-37-20)33-35(27(24)30-16-29-26)19-6-4-18(5-7-19)34-9-11-36-12-10-34/h1-3,8,13-14,16,18-19H,4-7,9-12,15H2,(H,31,32)(H2,28,29,30)/t18-,19-	PDB MMDB B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	361	n/a	n/a	n/a	n/a	7.5	23
Abbott Laboratories					Assay Description Assays were performed in 96-well microtiter plates in reaction buffer containing biotinylated substrate, ATP, and purified kinase in the presence of ...				Bioorg Med Chem Lett 19: 1718-21 (2009) Article DOI: 10.1016/j.bmcl.2009.01.086 BindingDB Entry DOI: 10.7270/Q2CJ8BTG
					More data for this Ligand-Target Pair
EGF-R Tyrosine Kinase Mutant (T790M) (Homo sapiens (human))	BDBM102620 (BMX-IN-1 | N-[5-[9-[4-(methanesulfonamido)phenyl]-...) Show SMILES Cc1ccc(cc1NC(=O)C=C)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1ccc(NS(C)(=O)=O)cc1 Show InChI InChI=1S/C29H24N4O4S/c1-4-27(34)31-26-16-23(12-5-18(26)2)33-28(35)14-9-21-17-30-25-13-8-20(15-24(25)29(21)33)19-6-10-22(11-7-19)32-38(3,36)37/h4-17,32H,1H2,2-3H3,(H,31,34)	PDB MMDB B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.28E+3	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences									ACS Chem Biol 8: 1423-8 (2013) Article DOI: 10.1021/cb4000629 BindingDB Entry DOI: 10.7270/Q2V40SVG
					More data for this Ligand-Target Pair
EGF-R Tyrosine Kinase Mutant (G719C) (Homo sapiens)	BDBM31095 (5-[(Z)-(5-fluoranyl-2-oxidanylidene-1H-indol-3-yli...) Show SMILES Cc1[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c(C)c1C(=O)NC[C@H](O)CN1CCOCC1 Show InChI InChI=1S/C23H27FN4O4/c1-13-20(10-18-17-9-15(24)3-4-19(17)27-22(18)30)26-14(2)21(13)23(31)25-11-16(29)12-28-5-7-32-8-6-28/h3-4,9-10,16,26,29H,5-8,11-12H2,1-2H3,(H,25,31)(H,27,30)/b18-10-/t16-/m0/s1	PDB MMDB B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars		n/a	n/a	n/a	9.00E+6	n/a	n/a	n/a	7.4	25
Ambit Biosciences Curated by PubChem BioAssay					Assay Description Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2NC5ZHH
					More data for this Ligand-Target Pair
EGF-R Tyrosine Kinase Mutant (G719C) (Homo sapiens)	BDBM31096 (CHEMBL290084 | Staurosporine | cid_451705) Show SMILES CN[C@H]1C[C@@H]2O[C@](C)([C@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m0/s1	PDB MMDB B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars		n/a	n/a	n/a	1.10E+6	n/a	n/a	n/a	7.4	25
Ambit Biosciences Curated by PubChem BioAssay					Assay Description Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2NC5ZHH
					More data for this Ligand-Target Pair
EGF-R Tyrosine Kinase Mutant (G719C) (Homo sapiens)	BDBM4814 (CHEMBL535 | N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fl...) Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C Show InChI InChI=1S/C22H27FN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12-	PDB MMDB B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars		n/a	n/a	n/a	6.80E+6	n/a	n/a	n/a	7.4	25
Ambit Biosciences Curated by PubChem BioAssay					Assay Description Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2NC5ZHH
					More data for this Ligand-Target Pair
EGF-R Tyrosine Kinase Mutant (G719C) (Homo sapiens)	BDBM21 (6-[(4R,5S,6S,7R)-4,7-dibenzyl-3-(5-carboxypentyl)-...) 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 B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Similars		n/a	n/a	n/a	9.60E+3	n/a	n/a	n/a	7.4	25
Ambit Biosciences Curated by PubChem BioAssay					Assay Description Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2NC5ZHH
					More data for this Ligand-Target Pair
EGF-R Tyrosine Kinase (Homo sapiens (human))	BDBM238270 (US9409887, I-1) Show SMILES COc1cc(NC2CN(CCF)C2)ccc1Nc1ncc(c(Nc2cccc(NC(=O)C=C)c2)n1)C(F)(F)F Show InChI InChI=1S/C26H27F4N7O2/c1-3-23(38)33-16-5-4-6-17(11-16)34-24-20(26(28,29)30)13-31-25(36-24)35-21-8-7-18(12-22(21)39-2)32-19-14-37(15-19)10-9-27/h3-8,11-13,19,32H,1,9-10,14-15H2,2H3,(H,33,38)(H2,31,34,35,36)	PDB MMDB B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a
Celgene Avilomics Research, Inc. US Patent					Assay Description A431 human epidermoid carcinoma, H1975 human NSCLC and HCC827 human NSCLC adenocarcinoma cells were obtained from the American Type Culture Center (M...				US Patent US9409887 (2016) BindingDB Entry DOI: 10.7270/Q2028QDD
					More data for this Ligand-Target Pair
EGF-R Tyrosine Kinase Mutant (G719C) (Homo sapiens)	BDBM13336 (4-[4-(4-fluorophenyl)-2-(4-methanesulfinylphenyl)-...) Show SMILES CS(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1 Show InChI InChI=1S/C21H16FN3OS/c1-27(26)18-8-4-16(5-9-18)21-24-19(14-2-6-17(22)7-3-14)20(25-21)15-10-12-23-13-11-15/h2-13H,1H3,(H,24,25)	PDB MMDB B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid UniChem Patents Similars		n/a	n/a	n/a	7.10E+5	n/a	n/a	n/a	7.4	25
Ambit Biosciences Curated by PubChem BioAssay					Assay Description Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2NC5ZHH
					More data for this Ligand-Target Pair
EGF-R Tyrosine Kinase Mutant (G719C) (Homo sapiens)	BDBM13531 (4-(4-Fluorophenyl)-2-(4-hydroxyphenyl)-5-(4-pyridy...) Show SMILES Oc1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1 Show InChI InChI=1S/C20H14FN3O/c21-16-5-1-13(2-6-16)18-19(14-9-11-22-12-10-14)24-20(23-18)15-3-7-17(25)8-4-15/h1-12,25H,(H,23,24)	PDB MMDB B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars		n/a	n/a	n/a	9.10E+5	n/a	n/a	n/a	7.4	25
Ambit Biosciences Curated by PubChem BioAssay					Assay Description Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2NC5ZHH
					More data for this Ligand-Target Pair
EGF-R Tyrosine Kinase Mutant (G719C) (Homo sapiens)	BDBM31094 (PKC-412 | cid_24202429) Show SMILES CO[C@H]1[C@H](C[C@@H]2O[C@@]1(C)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1 Show InChI InChI=1S/C35H30N4O4/c1-35-32(42-3)25(37(2)34(41)19-11-5-4-6-12-19)17-26(43-35)38-23-15-9-7-13-20(23)28-29-22(18-36-33(29)40)27-21-14-8-10-16-24(21)39(35)31(27)30(28)38/h4-16,25-26,32H,17-18H2,1-3H3,(H,36,40)/t25-,26-,32-,35+/m0/s1	PDB MMDB B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars		n/a	n/a	n/a	1.50E+6	n/a	n/a	n/a	7.4	25
Ambit Biosciences Curated by PubChem BioAssay					Assay Description Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2NC5ZHH
					More data for this Ligand-Target Pair
EGF-R Tyrosine Kinase Mutant (G719C) (Homo sapiens)	BDBM13535 (4-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin...) Show SMILES COc1cc2c(ncnc2cc1OCCCN1CCCCC1)N1CCN(CC1)C(=O)Nc1ccc(OC(C)C)cc1 Show InChI InChI=1S/C31H42N6O4/c1-23(2)41-25-10-8-24(9-11-25)34-31(38)37-17-15-36(16-18-37)30-26-20-28(39-3)29(21-27(26)32-22-33-30)40-19-7-14-35-12-5-4-6-13-35/h8-11,20-23H,4-7,12-19H2,1-3H3,(H,34,38)	PDB MMDB B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid UniChem Patents Similars		n/a	n/a	n/a	2.10E+5	n/a	n/a	n/a	7.4	25
Ambit Biosciences Curated by PubChem BioAssay					Assay Description Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2NC5ZHH
					More data for this Ligand-Target Pair
EGF-R Tyrosine Kinase Mutant (G719C) (Homo sapiens)	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 B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB	n/a	n/a	n/a	920	n/a	n/a	n/a	7.4	25
Ambit Biosciences Curated by PubChem BioAssay					Assay Description Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2NC5ZHH
					More data for this Ligand-Target Pair				3D Structure (crystal)
EGF-R Tyrosine Kinase Mutant (G719C) (Homo sapiens)	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 B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid UniChem Patents Similars	MMDB	n/a	n/a	n/a	2.00E+3	n/a	n/a	n/a	7.4	25
Ambit Biosciences Curated by PubChem BioAssay					Assay Description Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2NC5ZHH
					More data for this Ligand-Target Pair
EGF-R Tyrosine Kinase Mutant (G719C) (Homo sapiens)	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 B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB	n/a	n/a	n/a	850	n/a	n/a	n/a	7.4	25
Ambit Biosciences Curated by PubChem BioAssay					Assay Description Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2NC5ZHH
					More data for this Ligand-Target Pair				3D Structure (crystal)
EGF-R Tyrosine Kinase Mutant (G719C) (Homo sapiens)	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 B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars		n/a	n/a	n/a	240	n/a	n/a	n/a	7.4	25
Ambit Biosciences Curated by PubChem BioAssay					Assay Description Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2NC5ZHH
					More data for this Ligand-Target Pair
EGF-R Tyrosine Kinase Mutant (G719C) (Homo sapiens)	BDBM13216 (BMS-354825 | CHEMBL1421 | DASATINIB | N-(2-Chloro-...) Show SMILES Cc1nc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)cc(n1)N1CCN(CCO)CC1 Show InChI InChI=1S/C22H26ClN7O2S/c1-14-4-3-5-16(23)20(14)28-21(32)17-13-24-22(33-17)27-18-12-19(26-15(2)25-18)30-8-6-29(7-9-30)10-11-31/h3-5,12-13,31H,6-11H2,1-2H3,(H,28,32)(H,24,25,26,27)	PDB MMDB B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars		n/a	n/a	n/a	1.70E+5	n/a	n/a	n/a	7.4	25
Ambit Biosciences Curated by PubChem BioAssay					Assay Description Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2NC5ZHH
					More data for this Ligand-Target Pair
EGF-R Tyrosine Kinase Mutant (G719C) (Homo sapiens)	BDBM31340 (2-methoxy-N-[(E)-3-[4-[3-methyl-4-(6-methylpyridin...) Show SMILES COCC(=O)NC\C=C\c1ccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c2c1 Show InChI InChI=1S/C27H27N5O3/c1-18-13-21(8-11-25(18)35-22-9-6-19(2)29-15-22)32-27-23-14-20(7-10-24(23)30-17-31-27)5-4-12-28-26(33)16-34-3/h4-11,13-15,17H,12,16H2,1-3H3,(H,28,33)(H,30,31,32)/b5-4+	PDB MMDB B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents		n/a	n/a	n/a	1.00E+4	n/a	n/a	n/a	7.4	25
Ambit Biosciences Curated by PubChem BioAssay					Assay Description Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2NC5ZHH
					More data for this Ligand-Target Pair
EGF-R Tyrosine Kinase Mutant (G719C) (Homo sapiens)	BDBM4779 (CHEMBL31965 | CHEMBL545315 | CI-1033 | N-{4-[(3-ch...) 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 B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid UniChem Patents Similars		n/a	n/a	n/a	130	n/a	n/a	n/a	7.4	25
Ambit Biosciences Curated by PubChem BioAssay					Assay Description Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2NC5ZHH
					More data for this Ligand-Target Pair
EGF-R Tyrosine Kinase Mutant (G719C) (Homo sapiens)	BDBM13533 (1-[2-(4-methylphenyl)-5-tert-butyl-pyrazol-3-yl]-3...) Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C Show InChI InChI=1S/C31H37N5O3/c1-22-9-11-23(12-10-22)36-29(21-28(34-36)31(2,3)4)33-30(37)32-26-13-14-27(25-8-6-5-7-24(25)26)39-20-17-35-15-18-38-19-16-35/h5-14,21H,15-20H2,1-4H3,(H2,32,33,37)	PDB MMDB B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars		n/a	n/a	n/a	6.00E+6	n/a	n/a	n/a	7.4	25
Ambit Biosciences Curated by PubChem BioAssay					Assay Description Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2NC5ZHH
					More data for this Ligand-Target Pair
EGF-R Tyrosine Kinase Mutant (G719C) (Homo sapiens)	BDBM26300 (2-{3-[(7-{3-[ethyl(2-hydroxyethyl)amino]propoxy}qu...) Show SMILES CCN(CCO)CCCOc1ccc2c(Nc3cc(CC(=O)Nc4cccc(F)c4)n[nH]3)ncnc2c1 Show InChI InChI=1S/C26H30FN7O3/c1-2-34(10-11-35)9-4-12-37-21-7-8-22-23(16-21)28-17-29-26(22)31-24-14-20(32-33-24)15-25(36)30-19-6-3-5-18(27)13-19/h3,5-8,13-14,16-17,35H,2,4,9-12,15H2,1H3,(H,30,36)(H2,28,29,31,32,33)	PDB MMDB B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars		n/a	n/a	n/a	1.20E+5	n/a	n/a	n/a	7.4	25
Ambit Biosciences Curated by PubChem BioAssay					Assay Description Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2NC5ZHH
					More data for this Ligand-Target Pair
EGF-R Tyrosine Kinase Mutant (G719C) (Homo sapiens)	BDBM31085 (1-[4-[(4-ethyl-1-piperazinyl)methyl]-3-(trifluorom...) Show SMILES CCN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4cc(NC)ncn4)cc3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C26H30F3N7O2/c1-3-35-10-12-36(13-11-35)16-18-4-5-20(14-22(18)26(27,28)29)34-25(37)33-19-6-8-21(9-7-19)38-24-15-23(30-2)31-17-32-24/h4-9,14-15,17H,3,10-13,16H2,1-2H3,(H,30,31,32)(H2,33,34,37)	PDB MMDB B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars		n/a	n/a	n/a	2.20E+5	n/a	n/a	n/a	7.4	25
Ambit Biosciences Curated by PubChem BioAssay					Assay Description Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2NC5ZHH
					More data for this Ligand-Target Pair
EGF-R Tyrosine Kinase Mutant (G719C) (Homo sapiens)	BDBM24773 (AMG 706 | AMG-706 | Motesanib | N-(3,3-dimethyl-1,...) Show SMILES CC1(C)CNc2cc(NC(=O)c3cccnc3NCc3ccncc3)ccc12 Show InChI InChI=1S/C22H23N5O/c1-22(2)14-26-19-12-16(5-6-18(19)22)27-21(28)17-4-3-9-24-20(17)25-13-15-7-10-23-11-8-15/h3-12,26H,13-14H2,1-2H3,(H,24,25)(H,27,28)	PDB MMDB B.MOAD GoogleScholar AffyNet	Purchase MMDB PC cid PC sid PDB UniChem Patents Similars		n/a	n/a	n/a	2.30E+6	n/a	n/a	n/a	7.4	25
Ambit Biosciences Curated by PubChem BioAssay					Assay Description Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2NC5ZHH
					More data for this Ligand-Target Pair
EGF-R Tyrosine Kinase Mutant (G719C) (Homo sapiens)	BDBM21079 (1-[4-(3-amino-1H-indazol-4-yl)phenyl]-3-(2-fluoro-...) Show SMILES Cc1ccc(F)c(NC(=O)Nc2ccc(cc2)-c2cccc3[nH]nc(N)c23)c1 Show InChI InChI=1S/C21H18FN5O/c1-12-5-10-16(22)18(11-12)25-21(28)24-14-8-6-13(7-9-14)15-3-2-4-17-19(15)20(23)27-26-17/h2-11H,1H3,(H3,23,26,27)(H2,24,25,28)	PDB MMDB B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars		n/a	n/a	n/a	6.50E+6	n/a	n/a	n/a	7.4	25
Ambit Biosciences Curated by PubChem BioAssay					Assay Description Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2NC5ZHH
					More data for this Ligand-Target Pair
EGF-R Tyrosine Kinase Mutant (L858R/T790M) (Homo sapiens (human))	BDBM26105 (6-{4-[(4-ethylpiperazin-1-yl)methyl]phenyl}-N-[(1R...) Show SMILES CCN1CCN(Cc2ccc(cc2)-c2cc3c(N[C@H](C)c4ccccc4)ncnc3[nH]2)CC1 Show InChI InChI=1S/C27H32N6/c1-3-32-13-15-33(16-14-32)18-21-9-11-23(12-10-21)25-17-24-26(28-19-29-27(24)31-25)30-20(2)22-7-5-4-6-8-22/h4-12,17,19-20H,3,13-16,18H2,1-2H3,(H2,28,29,30,31)/t20-/m1/s1	PDB MMDB B.MOAD GoogleScholar AffyNet	Purchase MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	n/a	18.6	n/a	n/a	n/a	7.4	22
Harvard Medical School					Assay Description The fluorescence buffer was degassed and aerated with pure nitrogen gas to remove dissolved oxygen. The assay was carried out on a FluoroMax-2 fluoro...				Proc Natl Acad Sci U S A 105: 2070-5 (2008) Article DOI: 10.1073/pnas.0709662105 BindingDB Entry DOI: 10.7270/Q2DZ06MJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
EGF-R Tyrosine Kinase Mutant (L858R/T790M) (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 B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid UniChem Patents Similars	MMDB Article PubMed	n/a	n/a	n/a	10.9	n/a	n/a	n/a	7.4	22
Harvard Medical School					Assay Description The fluorescence buffer was degassed and aerated with pure nitrogen gas to remove dissolved oxygen. The assay was carried out on a FluoroMax-2 fluoro...				Proc Natl Acad Sci U S A 105: 2070-5 (2008) Article DOI: 10.1073/pnas.0709662105 BindingDB Entry DOI: 10.7270/Q2DZ06MJ
					More data for this Ligand-Target Pair
EGF-R Tyrosine Kinase Mutant (L858R) (Homo sapiens (human))	BDBM26105 (6-{4-[(4-ethylpiperazin-1-yl)methyl]phenyl}-N-[(1R...) Show SMILES CCN1CCN(Cc2ccc(cc2)-c2cc3c(N[C@H](C)c4ccccc4)ncnc3[nH]2)CC1 Show InChI InChI=1S/C27H32N6/c1-3-32-13-15-33(16-14-32)18-21-9-11-23(12-10-21)25-17-24-26(28-19-29-27(24)31-25)30-20(2)22-7-5-4-6-8-22/h4-12,17,19-20H,3,13-16,18H2,1-2H3,(H2,28,29,30,31)/t20-/m1/s1	PDB MMDB B.MOAD GoogleScholar AffyNet	Purchase MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	n/a	1.10	n/a	n/a	n/a	7.4	22
Harvard Medical School					Assay Description The fluorescence buffer was degassed and aerated with pure nitrogen gas to remove dissolved oxygen. The assay was carried out on a FluoroMax-2 fluoro...				Proc Natl Acad Sci U S A 105: 2070-5 (2008) Article DOI: 10.1073/pnas.0709662105 BindingDB Entry DOI: 10.7270/Q2DZ06MJ
					More data for this Ligand-Target Pair				3D Structure (crystal)

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