Compile Data Set for Download or QSAR

Found 276 hits with Last Name = 'tarrant' and Initial = 'j'   

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
Mitogen-activated protein kinase kinase kinase 7/TGF-beta-activated kinase 1 and MAP3K7-binding protein 1 (Homo sapiens (Human))	BDBM50438224 (CHEMBL2407759) Show SMILES CC(=O)N1CCC(CC1)n1cc(cn1)-c1cnc(N)c2oc(cc12)-c1cccc2nnsc12 Show InChI InChI=1S/C23H21N7O2S/c1-13(31)29-7-5-15(6-8-29)30-12-14(10-26-30)18-11-25-23(24)21-17(18)9-20(32-21)16-3-2-4-19-22(16)33-28-27-19/h2-4,9-12,15H,5-8H2,1H3,(H2,24,25)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
OSI Pharmaceuticals LLC Curated by ChEMBL					Assay Description Inhibition of truncated TAK1-TAB1(unknown origin) using MKK7 as substrate by ALPHAScreen assay in presence of ATP				Bioorg Med Chem Lett 23: 4517-22 (2013) Article DOI: 10.1016/j.bmcl.2013.06.053 BindingDB Entry DOI: 10.7270/Q2ZK5J2K
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase kinase kinase 7 (Homo sapiens (Human))	BDBM50438223 (CHEMBL2407758) Show SMILES CC(=O)N1CCC(CC1)n1cc(cn1)-c1cnc(N)c2oc(cc12)-c1cccc2ncsc12 Show InChI InChI=1S/C24H22N6O2S/c1-14(31)29-7-5-16(6-8-29)30-12-15(10-28-30)19-11-26-24(25)22-18(19)9-21(32-22)17-3-2-4-20-23(17)33-13-27-20/h2-4,9-13,16H,5-8H2,1H3,(H2,25,26)	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	10	n/a	n/a	n/a	n/a	n/a	n/a
OSI Pharmaceuticals LLC Curated by ChEMBL					Assay Description Inhibition of TAK1 in human HCT116 cells assessed as inhibition of TNF-alpha-stimulated JNK phosphorylation				Bioorg Med Chem Lett 23: 4517-22 (2013) Article DOI: 10.1016/j.bmcl.2013.06.053 BindingDB Entry DOI: 10.7270/Q2ZK5J2K
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 7 (Homo sapiens (Human))	BDBM50438224 (CHEMBL2407759) Show SMILES CC(=O)N1CCC(CC1)n1cc(cn1)-c1cnc(N)c2oc(cc12)-c1cccc2nnsc12 Show InChI InChI=1S/C23H21N7O2S/c1-13(31)29-7-5-15(6-8-29)30-12-14(10-26-30)18-11-25-23(24)21-17(18)9-20(32-21)16-3-2-4-19-22(16)33-28-27-19/h2-4,9-12,15H,5-8H2,1H3,(H2,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
OSI Pharmaceuticals LLC Curated by ChEMBL					Assay Description Inhibition of TAK1 in human HCT116 cells assessed as inhibition of TNF-alpha-stimulated JNK phosphorylation				Bioorg Med Chem Lett 23: 4517-22 (2013) Article DOI: 10.1016/j.bmcl.2013.06.053 BindingDB Entry DOI: 10.7270/Q2ZK5J2K
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase kinase kinase 7/TGF-beta-activated kinase 1 and MAP3K7-binding protein 1 (Homo sapiens (Human))	BDBM50438223 (CHEMBL2407758) Show SMILES CC(=O)N1CCC(CC1)n1cc(cn1)-c1cnc(N)c2oc(cc12)-c1cccc2ncsc12 Show InChI InChI=1S/C24H22N6O2S/c1-14(31)29-7-5-16(6-8-29)30-12-15(10-28-30)19-11-26-24(25)22-18(19)9-21(32-22)17-3-2-4-20-23(17)33-13-27-20/h2-4,9-13,16H,5-8H2,1H3,(H2,25,26)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
OSI Pharmaceuticals LLC Curated by ChEMBL					Assay Description Inhibition of truncated TAK1-TAB1(unknown origin) using MKK7 as substrate by ALPHAScreen assay in presence of ATP				Bioorg Med Chem Lett 23: 4517-22 (2013) Article DOI: 10.1016/j.bmcl.2013.06.053 BindingDB Entry DOI: 10.7270/Q2ZK5J2K
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50217195 (5-((4-aminopiperidin-1-yl)methyl)-N-(1-((5-methylp...) Show SMILES Cc1cncc(Cn2ncc3cc(Nc4ncnn5ccc(CN6CCC(N)CC6)c45)ccc23)c1 Show InChI InChI=1S/C26H29N9/c1-18-10-19(13-28-12-18)15-35-24-3-2-23(11-21(24)14-30-35)32-26-25-20(4-9-34(25)31-17-29-26)16-33-7-5-22(27)6-8-33/h2-4,9-14,17,22H,5-8,15-16,27H2,1H3,(H,29,31,32)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant HER2 expressed in insect Sf9 cells				Bioorg Med Chem Lett 17: 4947-54 (2007) Article DOI: 10.1016/j.bmcl.2007.06.019 BindingDB Entry DOI: 10.7270/Q22R3RC0
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50208409 ((S)-1-((4-(1-(3-fluorobenzyl)-1H-indazol-5-ylamino...) Show SMILES O[C@H]1CNCCN(Cc2ccn3ncnc(Nc4ccc5n(Cc6cccc(F)c6)ncc5c4)c23)C1 Show InChI InChI=1S/C26H27FN8O/c27-21-3-1-2-18(10-21)14-35-24-5-4-22(11-20(24)12-30-35)32-26-25-19(6-8-34(25)31-17-29-26)15-33-9-7-28-13-23(36)16-33/h1-6,8,10-12,17,23,28,36H,7,9,13-16H2,(H,29,31,32)/t23-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of human HER2				Bioorg Med Chem Lett 17: 2828-33 (2007) Article DOI: 10.1016/j.bmcl.2007.02.050 BindingDB Entry DOI: 10.7270/Q2TM79SZ
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 7/TGF-beta-activated kinase 1 and MAP3K7-binding protein 1 (Homo sapiens (Human))	BDBM50438219 (CHEMBL2407761) Show SMILES CC(=O)N1CCC(CC1)n1cc(cn1)-c1cnc(N)c2oc(cc12)-c1cn(C)c2cnccc12 Show InChI InChI=1S/C25H25N7O2/c1-15(33)31-7-4-17(5-8-31)32-13-16(10-29-32)20-11-28-25(26)24-19(20)9-23(34-24)21-14-30(2)22-12-27-6-3-18(21)22/h3,6,9-14,17H,4-5,7-8H2,1-2H3,(H2,26,28)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
OSI Pharmaceuticals LLC Curated by ChEMBL					Assay Description Inhibition of truncated TAK1-TAB1(unknown origin) using MKK7 as substrate by ALPHAScreen assay in presence of ATP				Bioorg Med Chem Lett 23: 4517-22 (2013) Article DOI: 10.1016/j.bmcl.2013.06.053 BindingDB Entry DOI: 10.7270/Q2ZK5J2K
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50217188 (CHEMBL248322 | [5-(4-amino-piperidin-1-ylmethyl)-p...) Show SMILES NC1CCN(Cc2ccn3ncnc(Nc4ccc(OCc5cccc[n+]5[O-])c(Cl)c4)c23)CC1 Show InChI InChI=1S/C24H26ClN7O2/c25-21-13-19(4-5-22(21)34-15-20-3-1-2-9-32(20)33)29-24-23-17(6-12-31(23)28-16-27-24)14-30-10-7-18(26)8-11-30/h1-6,9,12-13,16,18H,7-8,10-11,14-15,26H2,(H,27,28,29)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant HER2 expressed in insect Sf9 cells				Bioorg Med Chem Lett 17: 4947-54 (2007) Article DOI: 10.1016/j.bmcl.2007.06.019 BindingDB Entry DOI: 10.7270/Q22R3RC0
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50204120 (2-((4-(1-(3-fluorobenzyl)-1H-indazol-5-ylamino)pyr...) Show SMILES OC(=O)COCc1ccn2ncnc(Nc3ccc4n(Cc5cccc(F)c5)ncc4c3)c12 Show InChI InChI=1S/C23H19FN6O3/c24-18-3-1-2-15(8-18)11-30-20-5-4-19(9-17(20)10-26-30)28-23-22-16(12-33-13-21(31)32)6-7-29(22)27-14-25-23/h1-10,14H,11-13H2,(H,31,32)(H,25,27,28)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant cytoplasmic HER2 kinase expressed in Sf9 cells				Bioorg Med Chem Lett 17: 2036-42 (2007) Article DOI: 10.1016/j.bmcl.2007.01.002 BindingDB Entry DOI: 10.7270/Q2GT5MVS
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50217195 (5-((4-aminopiperidin-1-yl)methyl)-N-(1-((5-methylp...) Show SMILES Cc1cncc(Cn2ncc3cc(Nc4ncnn5ccc(CN6CCC(N)CC6)c45)ccc23)c1 Show InChI InChI=1S/C26H29N9/c1-18-10-19(13-28-12-18)15-35-24-3-2-23(11-21(24)14-30-35)32-26-25-20(4-9-34(25)31-17-29-26)16-33-7-5-22(27)6-8-33/h2-4,9-14,17,22H,5-8,15-16,27H2,1H3,(H,29,31,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant EGFR expressed in insect Sf9 cells				Bioorg Med Chem Lett 17: 4947-54 (2007) Article DOI: 10.1016/j.bmcl.2007.06.019 BindingDB Entry DOI: 10.7270/Q22R3RC0
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50217206 (5-((4-aminopiperidin-1-yl)methyl)-N-(3-chloro-4-(p...) Show SMILES NC1CCN(Cc2ccn3ncnc(Nc4ccc(OCc5ccccn5)c(Cl)c4)c23)CC1 Show InChI InChI=1S/C24H26ClN7O/c25-21-13-19(4-5-22(21)33-15-20-3-1-2-9-27-20)30-24-23-17(6-12-32(23)29-16-28-24)14-31-10-7-18(26)8-11-31/h1-6,9,12-13,16,18H,7-8,10-11,14-15,26H2,(H,28,29,30)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant HER2 expressed in insect Sf9 cells				Bioorg Med Chem Lett 17: 4947-54 (2007) Article DOI: 10.1016/j.bmcl.2007.06.019 BindingDB Entry DOI: 10.7270/Q22R3RC0
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 7/TGF-beta-activated kinase 1 and MAP3K7-binding protein 1 (Homo sapiens (Human))	BDBM50438222 (CHEMBL2407757) Show SMILES CC(=O)N1CCC(CC1)n1cc(cn1)-c1cnc(N)c2oc(cc12)-c1cccc2cnsc12 Show InChI InChI=1S/C24H22N6O2S/c1-14(31)29-7-5-17(6-8-29)30-13-16(10-27-30)20-12-26-24(25)22-19(20)9-21(32-22)18-4-2-3-15-11-28-33-23(15)18/h2-4,9-13,17H,5-8H2,1H3,(H2,25,26)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL 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
OSI Pharmaceuticals LLC Curated by ChEMBL					Assay Description Inhibition of truncated TAK1-TAB1(unknown origin) using MKK7 as substrate by ALPHAScreen assay in presence of ATP				Bioorg Med Chem Lett 23: 4517-22 (2013) Article DOI: 10.1016/j.bmcl.2013.06.053 BindingDB Entry DOI: 10.7270/Q2ZK5J2K
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50217191 (CHEMBL248108 | N-(1-(3-fluorobenzyl)-1H-indazol-5-...) Show SMILES NC1CCN(Cc2ccn3ncnc(Nc4ccc5n(Cc6cccc(F)c6)ncc5c4)c23)CC1 Show InChI InChI=1S/C26H27FN8/c27-21-3-1-2-18(12-21)15-35-24-5-4-23(13-20(24)14-30-35)32-26-25-19(6-11-34(25)31-17-29-26)16-33-9-7-22(28)8-10-33/h1-6,11-14,17,22H,7-10,15-16,28H2,(H,29,31,32)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant HER2 expressed in insect Sf9 cells				Bioorg Med Chem Lett 17: 4947-54 (2007) Article DOI: 10.1016/j.bmcl.2007.06.019 BindingDB Entry DOI: 10.7270/Q22R3RC0
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50217186 (5-((4-aminopiperidin-1-yl)methyl)-N-(3-chloro-4-(p...) Show SMILES NC1CCN(Cc2ccn3ncnc(Nc4ccc(OCc5cnccn5)c(Cl)c4)c23)CC1 Show InChI InChI=1S/C23H25ClN8O/c24-20-11-18(1-2-21(20)33-14-19-12-26-6-7-27-19)30-23-22-16(3-10-32(22)29-15-28-23)13-31-8-4-17(25)5-9-31/h1-3,6-7,10-12,15,17H,4-5,8-9,13-14,25H2,(H,28,29,30)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant HER2 expressed in insect Sf9 cells				Bioorg Med Chem Lett 17: 4947-54 (2007) Article DOI: 10.1016/j.bmcl.2007.06.019 BindingDB Entry DOI: 10.7270/Q22R3RC0
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50208409 ((S)-1-((4-(1-(3-fluorobenzyl)-1H-indazol-5-ylamino...) Show SMILES O[C@H]1CNCCN(Cc2ccn3ncnc(Nc4ccc5n(Cc6cccc(F)c6)ncc5c4)c23)C1 Show InChI InChI=1S/C26H27FN8O/c27-21-3-1-2-18(10-21)14-35-24-5-4-22(11-20(24)12-30-35)32-26-25-19(6-8-34(25)31-17-29-26)15-33-9-7-28-13-23(36)16-33/h1-6,8,10-12,17,23,28,36H,7,9,13-16H2,(H,29,31,32)/t23-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of human EGFR				Bioorg Med Chem Lett 17: 2828-33 (2007) Article DOI: 10.1016/j.bmcl.2007.02.050 BindingDB Entry DOI: 10.7270/Q2TM79SZ
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50208401 (5-((1,4-diazepan-1-yl)methyl)-N-(1-(3-fluorobenzyl...) Show SMILES Fc1cccc(Cn2ncc3cc(Nc4ncnn5ccc(CN6CCCNCC6)c45)ccc23)c1 Show InChI InChI=1S/C26H27FN8/c27-22-4-1-3-19(13-22)16-35-24-6-5-23(14-21(24)15-30-35)32-26-25-20(7-11-34(25)31-18-29-26)17-33-10-2-8-28-9-12-33/h1,3-7,11,13-15,18,28H,2,8-10,12,16-17H2,(H,29,31,32)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant HER2 expressed in insect Sf9 cells				Bioorg Med Chem Lett 17: 4947-54 (2007) Article DOI: 10.1016/j.bmcl.2007.06.019 BindingDB Entry DOI: 10.7270/Q22R3RC0
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50208401 (5-((1,4-diazepan-1-yl)methyl)-N-(1-(3-fluorobenzyl...) Show SMILES Fc1cccc(Cn2ncc3cc(Nc4ncnn5ccc(CN6CCCNCC6)c45)ccc23)c1 Show InChI InChI=1S/C26H27FN8/c27-22-4-1-3-19(13-22)16-35-24-6-5-23(14-21(24)15-30-35)32-26-25-20(7-11-34(25)31-18-29-26)17-33-10-2-8-28-9-12-33/h1,3-7,11,13-15,18,28H,2,8-10,12,16-17H2,(H,29,31,32)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of human HER2				Bioorg Med Chem Lett 17: 2828-33 (2007) Article DOI: 10.1016/j.bmcl.2007.02.050 BindingDB Entry DOI: 10.7270/Q2TM79SZ
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 7/TGF-beta-activated kinase 1 and MAP3K7-binding protein 1 (Homo sapiens (Human))	BDBM50438221 (CHEMBL2407760) Show SMILES CC(=O)N1CCC(CC1)n1cc(cn1)-c1cnc(N)c2oc(cc12)-c1csc2cnccc12 Show InChI InChI=1S/C24H22N6O2S/c1-14(31)29-6-3-16(4-7-29)30-12-15(9-28-30)19-10-27-24(25)23-18(19)8-21(32-23)20-13-33-22-11-26-5-2-17(20)22/h2,5,8-13,16H,3-4,6-7H2,1H3,(H2,25,27)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
OSI Pharmaceuticals LLC Curated by ChEMBL					Assay Description Inhibition of truncated TAK1-TAB1(unknown origin) using MKK7 as substrate by ALPHAScreen assay in presence of ATP				Bioorg Med Chem Lett 23: 4517-22 (2013) Article DOI: 10.1016/j.bmcl.2013.06.053 BindingDB Entry DOI: 10.7270/Q2ZK5J2K
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50204120 (2-((4-(1-(3-fluorobenzyl)-1H-indazol-5-ylamino)pyr...) Show SMILES OC(=O)COCc1ccn2ncnc(Nc3ccc4n(Cc5cccc(F)c5)ncc4c3)c12 Show InChI InChI=1S/C23H19FN6O3/c24-18-3-1-2-15(8-18)11-30-20-5-4-19(9-17(20)10-26-30)28-23-22-16(12-33-13-21(31)32)6-7-29(22)27-14-25-23/h1-10,14H,11-13H2,(H,31,32)(H,25,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of EGFR				Bioorg Med Chem Lett 17: 2036-42 (2007) Article DOI: 10.1016/j.bmcl.2007.01.002 BindingDB Entry DOI: 10.7270/Q2GT5MVS
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50217192 (2-(1-((4-(1-(3-fluorobenzyl)-1H-indazol-5-ylamino)...) Show SMILES OCCNC1CCN(Cc2ccn3ncnc(Nc4ccc5n(Cc6cccc(F)c6)ncc5c4)c23)CC1 Show InChI InChI=1S/C28H31FN8O/c29-23-3-1-2-20(14-23)17-37-26-5-4-25(15-22(26)16-32-37)34-28-27-21(6-12-36(27)33-19-31-28)18-35-10-7-24(8-11-35)30-9-13-38/h1-6,12,14-16,19,24,30,38H,7-11,13,17-18H2,(H,31,33,34)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant HER2 expressed in insect Sf9 cells				Bioorg Med Chem Lett 17: 4947-54 (2007) Article DOI: 10.1016/j.bmcl.2007.06.019 BindingDB Entry DOI: 10.7270/Q22R3RC0
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50217186 (5-((4-aminopiperidin-1-yl)methyl)-N-(3-chloro-4-(p...) Show SMILES NC1CCN(Cc2ccn3ncnc(Nc4ccc(OCc5cnccn5)c(Cl)c4)c23)CC1 Show InChI InChI=1S/C23H25ClN8O/c24-20-11-18(1-2-21(20)33-14-19-12-26-6-7-27-19)30-23-22-16(3-10-32(22)29-15-28-23)13-31-8-4-17(25)5-9-31/h1-3,6-7,10-12,15,17H,4-5,8-9,13-14,25H2,(H,28,29,30)	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	32	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant EGFR expressed in insect Sf9 cells				Bioorg Med Chem Lett 17: 4947-54 (2007) Article DOI: 10.1016/j.bmcl.2007.06.019 BindingDB Entry DOI: 10.7270/Q22R3RC0
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50217204 (CHEMBL247710 | N-(4-(3-fluorobenzyloxy)-3-chloroph...) Show SMILES NC1CCN(Cc2ccn3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c23)CC1 Show InChI InChI=1S/C25H26ClFN6O/c26-22-13-21(4-5-23(22)34-15-17-2-1-3-19(27)12-17)31-25-24-18(6-11-33(24)30-16-29-25)14-32-9-7-20(28)8-10-32/h1-6,11-13,16,20H,7-10,14-15,28H2,(H,29,30,31)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant HER2 expressed in insect Sf9 cells				Bioorg Med Chem Lett 17: 4947-54 (2007) Article DOI: 10.1016/j.bmcl.2007.06.019 BindingDB Entry DOI: 10.7270/Q22R3RC0
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50208401 (5-((1,4-diazepan-1-yl)methyl)-N-(1-(3-fluorobenzyl...) Show SMILES Fc1cccc(Cn2ncc3cc(Nc4ncnn5ccc(CN6CCCNCC6)c45)ccc23)c1 Show InChI InChI=1S/C26H27FN8/c27-22-4-1-3-19(13-22)16-35-24-6-5-23(14-21(24)15-30-35)32-26-25-20(7-11-34(25)31-18-29-26)17-33-10-2-8-28-9-12-33/h1,3-7,11,13-15,18,28H,2,8-10,12,16-17H2,(H,29,31,32)	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	33	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant EGFR expressed in insect Sf9 cells				Bioorg Med Chem Lett 17: 4947-54 (2007) Article DOI: 10.1016/j.bmcl.2007.06.019 BindingDB Entry DOI: 10.7270/Q22R3RC0
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50208401 (5-((1,4-diazepan-1-yl)methyl)-N-(1-(3-fluorobenzyl...) Show SMILES Fc1cccc(Cn2ncc3cc(Nc4ncnn5ccc(CN6CCCNCC6)c45)ccc23)c1 Show InChI InChI=1S/C26H27FN8/c27-22-4-1-3-19(13-22)16-35-24-6-5-23(14-21(24)15-30-35)32-26-25-20(7-11-34(25)31-18-29-26)17-33-10-2-8-28-9-12-33/h1,3-7,11,13-15,18,28H,2,8-10,12,16-17H2,(H,29,31,32)	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	33	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of human EGFR				Bioorg Med Chem Lett 17: 2828-33 (2007) Article DOI: 10.1016/j.bmcl.2007.02.050 BindingDB Entry DOI: 10.7270/Q2TM79SZ
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50217189 (5-((4-aminopiperidin-1-yl)methyl)-N-(1-(pyridin-3-...) Show SMILES NC1CCN(Cc2ccn3ncnc(Nc4ccc5n(Cc6cccnc6)ncc5c4)c23)CC1 Show InChI InChI=1S/C25H27N9/c26-21-6-9-32(10-7-21)16-19-5-11-33-24(19)25(28-17-30-33)31-22-3-4-23-20(12-22)14-29-34(23)15-18-2-1-8-27-13-18/h1-5,8,11-14,17,21H,6-7,9-10,15-16,26H2,(H,28,30,31)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant HER2 expressed in insect Sf9 cells				Bioorg Med Chem Lett 17: 4947-54 (2007) Article DOI: 10.1016/j.bmcl.2007.06.019 BindingDB Entry DOI: 10.7270/Q22R3RC0
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50217187 (CHEMBL391778 | N-(1-(3-fluorobenzyl)-1H-indazol-5-...) Show SMILES NCC1CCN(Cc2ccn3ncnc(Nc4ccc5n(Cc6cccc(F)c6)ncc5c4)c23)CC1 Show InChI InChI=1S/C27H29FN8/c28-23-3-1-2-20(12-23)16-36-25-5-4-24(13-22(25)15-31-36)33-27-26-21(8-11-35(26)32-18-30-27)17-34-9-6-19(14-29)7-10-34/h1-5,8,11-13,15,18-19H,6-7,9-10,14,16-17,29H2,(H,30,32,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant EGFR expressed in insect Sf9 cells				Bioorg Med Chem Lett 17: 4947-54 (2007) Article DOI: 10.1016/j.bmcl.2007.06.019 BindingDB Entry DOI: 10.7270/Q22R3RC0
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50217191 (CHEMBL248108 | N-(1-(3-fluorobenzyl)-1H-indazol-5-...) Show SMILES NC1CCN(Cc2ccn3ncnc(Nc4ccc5n(Cc6cccc(F)c6)ncc5c4)c23)CC1 Show InChI InChI=1S/C26H27FN8/c27-21-3-1-2-18(12-21)15-35-24-5-4-23(13-20(24)14-30-35)32-26-25-19(6-11-34(25)31-17-29-26)16-33-9-7-22(28)8-10-33/h1-6,11-14,17,22H,7-10,15-16,28H2,(H,29,31,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant EGFR expressed in insect Sf9 cells				Bioorg Med Chem Lett 17: 4947-54 (2007) Article DOI: 10.1016/j.bmcl.2007.06.019 BindingDB Entry DOI: 10.7270/Q22R3RC0
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50217199 (5-((4-aminopiperidin-1-yl)methyl)-N-(1-(pyridin-2-...) Show SMILES NC1CCN(Cc2ccn3ncnc(Nc4ccc5n(Cc6ccccn6)ncc5c4)c23)CC1 Show InChI InChI=1S/C25H27N9/c26-20-7-10-32(11-8-20)15-18-6-12-33-24(18)25(28-17-30-33)31-21-4-5-23-19(13-21)14-29-34(23)16-22-3-1-2-9-27-22/h1-6,9,12-14,17,20H,7-8,10-11,15-16,26H2,(H,28,30,31)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant HER2 expressed in insect Sf9 cells				Bioorg Med Chem Lett 17: 4947-54 (2007) Article DOI: 10.1016/j.bmcl.2007.06.019 BindingDB Entry DOI: 10.7270/Q22R3RC0
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50217206 (5-((4-aminopiperidin-1-yl)methyl)-N-(3-chloro-4-(p...) Show SMILES NC1CCN(Cc2ccn3ncnc(Nc4ccc(OCc5ccccn5)c(Cl)c4)c23)CC1 Show InChI InChI=1S/C24H26ClN7O/c25-21-13-19(4-5-22(21)33-15-20-3-1-2-9-27-20)30-24-23-17(6-12-32(23)29-16-28-24)14-31-10-7-18(26)8-11-31/h1-6,9,12-13,16,18H,7-8,10-11,14-15,26H2,(H,28,29,30)	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	36	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant EGFR expressed in insect Sf9 cells				Bioorg Med Chem Lett 17: 4947-54 (2007) Article DOI: 10.1016/j.bmcl.2007.06.019 BindingDB Entry DOI: 10.7270/Q22R3RC0
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50217190 (5-((4-aminopiperidin-1-yl)methyl)-N-(3-chloro-4-(p...) Show SMILES NC1CCN(Cc2ccn3ncnc(Nc4ccc(OCc5cccnc5)c(Cl)c4)c23)CC1 Show InChI InChI=1S/C24H26ClN7O/c25-21-12-20(3-4-22(21)33-15-17-2-1-8-27-13-17)30-24-23-18(5-11-32(23)29-16-28-24)14-31-9-6-19(26)7-10-31/h1-5,8,11-13,16,19H,6-7,9-10,14-15,26H2,(H,28,29,30)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant HER2 expressed in insect Sf9 cells				Bioorg Med Chem Lett 17: 4947-54 (2007) Article DOI: 10.1016/j.bmcl.2007.06.019 BindingDB Entry DOI: 10.7270/Q22R3RC0
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50217204 (CHEMBL247710 | N-(4-(3-fluorobenzyloxy)-3-chloroph...) Show SMILES NC1CCN(Cc2ccn3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c23)CC1 Show InChI InChI=1S/C25H26ClFN6O/c26-22-13-21(4-5-23(22)34-15-17-2-1-3-19(27)12-17)31-25-24-18(6-11-33(24)30-16-29-25)14-32-9-7-20(28)8-10-32/h1-6,11-13,16,20H,7-10,14-15,28H2,(H,29,30,31)	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	38	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant EGFR expressed in insect Sf9 cells				Bioorg Med Chem Lett 17: 4947-54 (2007) Article DOI: 10.1016/j.bmcl.2007.06.019 BindingDB Entry DOI: 10.7270/Q22R3RC0
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50217187 (CHEMBL391778 | N-(1-(3-fluorobenzyl)-1H-indazol-5-...) Show SMILES NCC1CCN(Cc2ccn3ncnc(Nc4ccc5n(Cc6cccc(F)c6)ncc5c4)c23)CC1 Show InChI InChI=1S/C27H29FN8/c28-23-3-1-2-20(12-23)16-36-25-5-4-24(13-22(25)15-31-36)33-27-26-21(8-11-35(26)32-18-30-27)17-34-9-6-19(14-29)7-10-34/h1-5,8,11-13,15,18-19H,6-7,9-10,14,16-17,29H2,(H,30,32,33)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant HER2 expressed in insect Sf9 cells				Bioorg Med Chem Lett 17: 4947-54 (2007) Article DOI: 10.1016/j.bmcl.2007.06.019 BindingDB Entry DOI: 10.7270/Q22R3RC0
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50208410 (1-((4-(1-(3-fluorobenzyl)-1H-indazol-5-ylamino)pyr...) Show SMILES Fc1cccc(Cn2ncc3cc(Nc4ncnn5ccc(CN6CCNCC(=O)C6)c45)ccc23)c1 Show InChI InChI=1S/C26H25FN8O/c27-21-3-1-2-18(10-21)14-35-24-5-4-22(11-20(24)12-30-35)32-26-25-19(6-8-34(25)31-17-29-26)15-33-9-7-28-13-23(36)16-33/h1-6,8,10-12,17,28H,7,9,13-16H2,(H,29,31,32)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	39	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of human HER2				Bioorg Med Chem Lett 17: 2828-33 (2007) Article DOI: 10.1016/j.bmcl.2007.02.050 BindingDB Entry DOI: 10.7270/Q2TM79SZ
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50217203 (CHEMBL391181 | N-(1-(3-fluorobenzyl)-1H-indazol-5-...) Show SMILES COc1cn2ncnc(Nc3ccc4n(Cc5cccc(F)c5)ncc4c3)c2c1CN1CCC(N)CC1 Show InChI InChI=1S/C27H29FN8O/c1-37-25-16-36-26(23(25)15-34-9-7-21(29)8-10-34)27(30-17-32-36)33-22-5-6-24-19(12-22)13-31-35(24)14-18-3-2-4-20(28)11-18/h2-6,11-13,16-17,21H,7-10,14-15,29H2,1H3,(H,30,32,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant EGFR expressed in insect Sf9 cells				Bioorg Med Chem Lett 17: 4947-54 (2007) Article DOI: 10.1016/j.bmcl.2007.06.019 BindingDB Entry DOI: 10.7270/Q22R3RC0
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50204142 (CHEMBL245278 | N-(1-((R)-1-(3-fluorophenyl)ethyl)-...) Show SMILES C[C@H](c1cccc(F)c1)n1ncc2cc(Nc3ncnn4ccc(COC[C@@H]5CNCCO5)c34)ccc12 Show InChI InChI=1S/C27H28FN7O2/c1-18(19-3-2-4-22(28)11-19)35-25-6-5-23(12-21(25)13-31-35)33-27-26-20(7-9-34(26)32-17-30-27)15-36-16-24-14-29-8-10-37-24/h2-7,9,11-13,17-18,24,29H,8,10,14-16H2,1H3,(H,30,32,33)/t18-,24+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant cytoplasmic HER2 kinase expressed in Sf9 cells				Bioorg Med Chem Lett 17: 2036-42 (2007) Article DOI: 10.1016/j.bmcl.2007.01.002 BindingDB Entry DOI: 10.7270/Q2GT5MVS
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50217209 (5-((1,4-diazepan-1-yl)methyl)-N-(4-(3-fluorobenzyl...) Show SMILES Fc1cccc(COc2ccc(Nc3ncnn4ccc(CN5CCCNCC5)c34)cc2Cl)c1 Show InChI InChI=1S/C25H26ClFN6O/c26-22-14-21(5-6-23(22)34-16-18-3-1-4-20(27)13-18)31-25-24-19(7-11-33(24)30-17-29-25)15-32-10-2-8-28-9-12-32/h1,3-7,11,13-14,17,28H,2,8-10,12,15-16H2,(H,29,30,31)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant HER2 expressed in insect Sf9 cells				Bioorg Med Chem Lett 17: 4947-54 (2007) Article DOI: 10.1016/j.bmcl.2007.06.019 BindingDB Entry DOI: 10.7270/Q22R3RC0
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50217201 (CHEMBL393264 | N-(1-(3-fluorobenzyl)-1H-indazol-5-...) Show SMILES CC1(N)CCN(Cc2ccn3ncnc(Nc4ccc5n(Cc6cccc(F)c6)ncc5c4)c23)CC1 Show InChI InChI=1S/C27H29FN8/c1-27(29)8-11-34(12-9-27)17-20-7-10-35-25(20)26(30-18-32-35)33-23-5-6-24-21(14-23)15-31-36(24)16-19-3-2-4-22(28)13-19/h2-7,10,13-15,18H,8-9,11-12,16-17,29H2,1H3,(H,30,32,33)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	43	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant HER2 expressed in insect Sf9 cells				Bioorg Med Chem Lett 17: 4947-54 (2007) Article DOI: 10.1016/j.bmcl.2007.06.019 BindingDB Entry DOI: 10.7270/Q22R3RC0
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50217203 (CHEMBL391181 | N-(1-(3-fluorobenzyl)-1H-indazol-5-...) Show SMILES COc1cn2ncnc(Nc3ccc4n(Cc5cccc(F)c5)ncc4c3)c2c1CN1CCC(N)CC1 Show InChI InChI=1S/C27H29FN8O/c1-37-25-16-36-26(23(25)15-34-9-7-21(29)8-10-34)27(30-17-32-36)33-22-5-6-24-19(12-22)13-31-35(24)14-18-3-2-4-20(28)11-18/h2-6,11-13,16-17,21H,7-10,14-15,29H2,1H3,(H,30,32,33)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	43	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant HER2 expressed in insect Sf9 cells				Bioorg Med Chem Lett 17: 4947-54 (2007) Article DOI: 10.1016/j.bmcl.2007.06.019 BindingDB Entry DOI: 10.7270/Q22R3RC0
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 7 (Homo sapiens (Human))	BDBM50438222 (CHEMBL2407757) Show SMILES CC(=O)N1CCC(CC1)n1cc(cn1)-c1cnc(N)c2oc(cc12)-c1cccc2cnsc12 Show InChI InChI=1S/C24H22N6O2S/c1-14(31)29-7-5-17(6-8-29)30-13-16(10-27-30)20-12-26-24(25)22-19(20)9-21(32-22)18-4-2-3-15-11-28-33-23(15)18/h2-4,9-13,17H,5-8H2,1H3,(H2,25,26)	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	44	n/a	n/a	n/a	n/a	n/a	n/a
OSI Pharmaceuticals LLC Curated by ChEMBL					Assay Description Inhibition of TAK1 in human HCT116 cells assessed as inhibition of TNF-alpha-stimulated JNK phosphorylation				Bioorg Med Chem Lett 23: 4517-22 (2013) Article DOI: 10.1016/j.bmcl.2013.06.053 BindingDB Entry DOI: 10.7270/Q2ZK5J2K
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50208412 (2-((4-(1-(3-fluorobenzyl)-1H-indazol-5-ylamino)pyr...) Show SMILES OCCNCc1ccn2ncnc(Nc3ccc4n(Cc5cccc(F)c5)ncc4c3)c12 Show InChI InChI=1S/C23H22FN7O/c24-19-3-1-2-16(10-19)14-31-21-5-4-20(11-18(21)13-27-31)29-23-22-17(12-25-7-9-32)6-8-30(22)28-15-26-23/h1-6,8,10-11,13,15,25,32H,7,9,12,14H2,(H,26,28,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	45	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of human EGFR				Bioorg Med Chem Lett 17: 2828-33 (2007) Article DOI: 10.1016/j.bmcl.2007.02.050 BindingDB Entry DOI: 10.7270/Q2TM79SZ
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50208412 (2-((4-(1-(3-fluorobenzyl)-1H-indazol-5-ylamino)pyr...) Show SMILES OCCNCc1ccn2ncnc(Nc3ccc4n(Cc5cccc(F)c5)ncc4c3)c12 Show InChI InChI=1S/C23H22FN7O/c24-19-3-1-2-16(10-19)14-31-21-5-4-20(11-18(21)13-27-31)29-23-22-17(12-25-7-9-32)6-8-30(22)28-15-26-23/h1-6,8,10-11,13,15,25,32H,7,9,12,14H2,(H,26,28,29)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	47	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of human HER2				Bioorg Med Chem Lett 17: 2828-33 (2007) Article DOI: 10.1016/j.bmcl.2007.02.050 BindingDB Entry DOI: 10.7270/Q2TM79SZ
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50217199 (5-((4-aminopiperidin-1-yl)methyl)-N-(1-(pyridin-2-...) Show SMILES NC1CCN(Cc2ccn3ncnc(Nc4ccc5n(Cc6ccccn6)ncc5c4)c23)CC1 Show InChI InChI=1S/C25H27N9/c26-20-7-10-32(11-8-20)15-18-6-12-33-24(18)25(28-17-30-33)31-21-4-5-23-19(13-21)14-29-34(23)16-22-3-1-2-9-27-22/h1-6,9,12-14,17,20H,7-8,10-11,15-16,26H2,(H,28,30,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	47	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant EGFR expressed in insect Sf9 cells				Bioorg Med Chem Lett 17: 4947-54 (2007) Article DOI: 10.1016/j.bmcl.2007.06.019 BindingDB Entry DOI: 10.7270/Q22R3RC0
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50217209 (5-((1,4-diazepan-1-yl)methyl)-N-(4-(3-fluorobenzyl...) Show SMILES Fc1cccc(COc2ccc(Nc3ncnn4ccc(CN5CCCNCC5)c34)cc2Cl)c1 Show InChI InChI=1S/C25H26ClFN6O/c26-22-14-21(5-6-23(22)34-16-18-3-1-4-20(27)13-18)31-25-24-19(7-11-33(24)30-17-29-25)15-32-10-2-8-28-9-12-32/h1,3-7,11,13-14,17,28H,2,8-10,12,15-16H2,(H,29,30,31)	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	48	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant EGFR expressed in insect Sf9 cells				Bioorg Med Chem Lett 17: 4947-54 (2007) Article DOI: 10.1016/j.bmcl.2007.06.019 BindingDB Entry DOI: 10.7270/Q22R3RC0
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50217192 (2-(1-((4-(1-(3-fluorobenzyl)-1H-indazol-5-ylamino)...) Show SMILES OCCNC1CCN(Cc2ccn3ncnc(Nc4ccc5n(Cc6cccc(F)c6)ncc5c4)c23)CC1 Show InChI InChI=1S/C28H31FN8O/c29-23-3-1-2-20(14-23)17-37-26-5-4-25(15-22(26)16-32-37)34-28-27-21(6-12-36(27)33-19-31-28)18-35-10-7-24(8-11-35)30-9-13-38/h1-6,12,14-16,19,24,30,38H,7-11,13,17-18H2,(H,31,33,34)	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	48	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant EGFR expressed in insect Sf9 cells				Bioorg Med Chem Lett 17: 4947-54 (2007) Article DOI: 10.1016/j.bmcl.2007.06.019 BindingDB Entry DOI: 10.7270/Q22R3RC0
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50217194 ((S)-N-(1-(3-fluorobenzyl)-1H-indazol-5-yl)-5-((3-a...) Show SMILES N[C@H]1CCN(Cc2ccn3ncnc(Nc4ccc5n(Cc6cccc(F)c6)ncc5c4)c23)C1 Show InChI InChI=1S/C25H25FN8/c26-20-3-1-2-17(10-20)13-34-23-5-4-22(11-19(23)12-29-34)31-25-24-18(6-9-33(24)30-16-28-25)14-32-8-7-21(27)15-32/h1-6,9-12,16,21H,7-8,13-15,27H2,(H,28,30,31)/t21-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant EGFR expressed in insect Sf9 cells				Bioorg Med Chem Lett 17: 4947-54 (2007) Article DOI: 10.1016/j.bmcl.2007.06.019 BindingDB Entry DOI: 10.7270/Q22R3RC0
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50217201 (CHEMBL393264 | N-(1-(3-fluorobenzyl)-1H-indazol-5-...) Show SMILES CC1(N)CCN(Cc2ccn3ncnc(Nc4ccc5n(Cc6cccc(F)c6)ncc5c4)c23)CC1 Show InChI InChI=1S/C27H29FN8/c1-27(29)8-11-34(12-9-27)17-20-7-10-35-25(20)26(30-18-32-35)33-23-5-6-24-21(14-23)15-31-36(24)16-19-3-2-4-22(28)13-19/h2-7,10,13-15,18H,8-9,11-12,16-17,29H2,1H3,(H,30,32,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant EGFR expressed in insect Sf9 cells				Bioorg Med Chem Lett 17: 4947-54 (2007) Article DOI: 10.1016/j.bmcl.2007.06.019 BindingDB Entry DOI: 10.7270/Q22R3RC0
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50217194 ((S)-N-(1-(3-fluorobenzyl)-1H-indazol-5-yl)-5-((3-a...) Show SMILES N[C@H]1CCN(Cc2ccn3ncnc(Nc4ccc5n(Cc6cccc(F)c6)ncc5c4)c23)C1 Show InChI InChI=1S/C25H25FN8/c26-20-3-1-2-17(10-20)13-34-23-5-4-22(11-19(23)12-29-34)31-25-24-18(6-9-33(24)30-16-28-25)14-32-8-7-21(27)15-32/h1-6,9-12,16,21H,7-8,13-15,27H2,(H,28,30,31)/t21-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	52	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant HER2 expressed in insect Sf9 cells				Bioorg Med Chem Lett 17: 4947-54 (2007) Article DOI: 10.1016/j.bmcl.2007.06.019 BindingDB Entry DOI: 10.7270/Q22R3RC0
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50217198 (CHEMBL391779 | N-(1-(3-fluorobenzyl)-1H-indazol-5-...) Show SMILES CNC1CCN(Cc2ccn3ncnc(Nc4ccc5n(Cc6cccc(F)c6)ncc5c4)c23)CC1 Show InChI InChI=1S/C27H29FN8/c1-29-23-8-10-34(11-9-23)17-20-7-12-35-26(20)27(30-18-32-35)33-24-5-6-25-21(14-24)15-31-36(25)16-19-3-2-4-22(28)13-19/h2-7,12-15,18,23,29H,8-11,16-17H2,1H3,(H,30,32,33)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	54	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant HER2 expressed in insect Sf9 cells				Bioorg Med Chem Lett 17: 4947-54 (2007) Article DOI: 10.1016/j.bmcl.2007.06.019 BindingDB Entry DOI: 10.7270/Q22R3RC0
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50204134 ((S)-N-(1-(3-fluorobenzyl)-1H-indazol-5-yl)-5-((mor...) Show SMILES Fc1cccc(Cn2ncc3cc(Nc4ncnn5ccc(COC[C@@H]6CNCCO6)c45)ccc23)c1 Show InChI InChI=1S/C26H26FN7O2/c27-21-3-1-2-18(10-21)14-34-24-5-4-22(11-20(24)12-30-34)32-26-25-19(6-8-33(25)31-17-29-26)15-35-16-23-13-28-7-9-36-23/h1-6,8,10-12,17,23,28H,7,9,13-16H2,(H,29,31,32)/t23-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant HER2 expressed in insect Sf9 cells				Bioorg Med Chem Lett 17: 4947-54 (2007) Article DOI: 10.1016/j.bmcl.2007.06.019 BindingDB Entry DOI: 10.7270/Q22R3RC0
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50204134 ((S)-N-(1-(3-fluorobenzyl)-1H-indazol-5-yl)-5-((mor...) Show SMILES Fc1cccc(Cn2ncc3cc(Nc4ncnn5ccc(COC[C@@H]6CNCCO6)c45)ccc23)c1 Show InChI InChI=1S/C26H26FN7O2/c27-21-3-1-2-18(10-21)14-34-24-5-4-22(11-20(24)12-30-34)32-26-25-19(6-8-33(25)31-17-29-26)15-35-16-23-13-28-7-9-36-23/h1-6,8,10-12,17,23,28H,7,9,13-16H2,(H,29,31,32)/t23-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant cytoplasmic HER2 kinase expressed in Sf9 cells				Bioorg Med Chem Lett 17: 2036-42 (2007) Article DOI: 10.1016/j.bmcl.2007.01.002 BindingDB Entry DOI: 10.7270/Q2GT5MVS
					More data for this Ligand-Target Pair

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