Compile Data Set for Download or QSAR

Found 260 hits with Last Name = 'oppenheimer' and Initial = 's'   

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
Hepatocyte growth factor receptor (Homo sapiens (Human))	BDBM28030 (2-aminopyridine analogue, 9 | N-{4-[(2-amino-3-chl...) Show SMILES Nc1nccc(Oc2ccc(NC(=O)c3cccn(-c4ccc(F)cc4)c3=O)cc2F)c1Cl Show InChI InChI=1S/C23H15ClF2N4O3/c24-20-19(9-10-28-21(20)27)33-18-8-5-14(12-17(18)26)29-22(31)16-2-1-11-30(23(16)32)15-6-3-13(25)4-7-15/h1-12H,(H2,27,28)(H,29,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	7.5	30
Bristol-Myers Squibb Company					Assay Description Kinase activity was assayed using baculovirus expressed GST-Met, and poly(Glu/Tyr) as the substrate in the presence of test compound. Dose response c...				J Med Chem 52: 1251-4 (2009) Article DOI: 10.1021/jm801586s BindingDB Entry DOI: 10.7270/Q20863MZ
					More data for this Ligand-Target Pair
Hepatocyte growth factor receptor (Homo sapiens (Human))	BDBM28028 (2-aminopyridine analogue, 7 | N-{4-[(2-amino-3-eth...) Show SMILES Nc1nccc(Oc2ccc(NC(=O)c3cccn(-c4ccc(F)cc4)c3=O)cc2F)c1C#C Show InChI InChI=1S/C25H16F2N4O3/c1-2-18-21(11-12-29-23(18)28)34-22-10-7-16(14-20(22)27)30-24(32)19-4-3-13-31(25(19)33)17-8-5-15(26)6-9-17/h1,3-14H,(H2,28,29)(H,30,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	7.5	30
Bristol-Myers Squibb Company					Assay Description Kinase activity was assayed using baculovirus expressed GST-Met, and poly(Glu/Tyr) as the substrate in the presence of test compound. Dose response c...				J Med Chem 52: 1251-4 (2009) Article DOI: 10.1021/jm801586s BindingDB Entry DOI: 10.7270/Q20863MZ
					More data for this Ligand-Target Pair
Hepatocyte growth factor receptor (Homo sapiens (Human))	BDBM24440 (2-pyridone analogue, 2 | JMC521251 Compound 1 | N-...) Show SMILES Fc1ccc(cc1)-n1cccc(C(=O)Nc2ccc(Oc3ccnc4[nH]ccc34)c(F)c2)c1=O Show InChI InChI=1S/C25H16F2N4O3/c26-15-3-6-17(7-4-15)31-13-1-2-19(25(31)33)24(32)30-16-5-8-22(20(27)14-16)34-21-10-12-29-23-18(21)9-11-28-23/h1-14H,(H,28,29)(H,30,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	7.5	30
Bristol-Myers Squibb Company					Assay Description Kinase activity was assayed using baculovirus expressed GST-Met, and poly(Glu/Tyr) as the substrate in the presence of test compound. Dose response c...				J Med Chem 52: 1251-4 (2009) Article DOI: 10.1021/jm801586s BindingDB Entry DOI: 10.7270/Q20863MZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Hepatocyte growth factor receptor (Homo sapiens (Human))	BDBM28033 (2-aminopyridine analogue, 12 | N-{4-[(2-amino-3-ch...) Show SMILES Nc1nccc(Oc2ccc(NC(=O)c3c(OCCO)ccn(-c4ccc(F)cc4)c3=O)cc2F)c1Cl Show InChI InChI=1S/C25H19ClF2N4O5/c26-22-20(7-9-30-23(22)29)37-18-6-3-15(13-17(18)28)31-24(34)21-19(36-12-11-33)8-10-32(25(21)35)16-4-1-14(27)2-5-16/h1-10,13,33H,11-12H2,(H2,29,30)(H,31,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.60	n/a	n/a	n/a	n/a	7.5	30
Bristol-Myers Squibb Company					Assay Description Kinase activity was assayed using baculovirus expressed GST-Met, and poly(Glu/Tyr) as the substrate in the presence of test compound. Dose response c...				J Med Chem 52: 1251-4 (2009) Article DOI: 10.1021/jm801586s BindingDB Entry DOI: 10.7270/Q20863MZ
					More data for this Ligand-Target Pair
Hepatocyte growth factor receptor (Homo sapiens (Human))	BDBM28026 (2-aminopyridine analogue, 5 | N-(4-{[2-amino-3-(3-...) Show SMILES Nc1nccc(Oc2ccc(NC(=O)c3cccn(-c4ccc(F)cc4)c3=O)cc2F)c1C#CCO Show InChI InChI=1S/C26H18F2N4O4/c27-16-5-8-18(9-6-16)32-13-1-3-20(26(32)35)25(34)31-17-7-10-23(21(28)15-17)36-22-11-12-30-24(29)19(22)4-2-14-33/h1,3,5-13,15,33H,14H2,(H2,29,30)(H,31,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.70	n/a	n/a	n/a	n/a	7.5	30
Bristol-Myers Squibb Company					Assay Description Kinase activity was assayed using baculovirus expressed GST-Met, and poly(Glu/Tyr) as the substrate in the presence of test compound. Dose response c...				J Med Chem 52: 1251-4 (2009) Article DOI: 10.1021/jm801586s BindingDB Entry DOI: 10.7270/Q20863MZ
					More data for this Ligand-Target Pair
Hepatocyte growth factor receptor (Homo sapiens (Human))	BDBM28032 (2-aminopyridine analogue, 11 | N-{4-[(2-amino-3-ch...) Show SMILES CC(C)Oc1ccn(-c2ccc(F)cc2)c(=O)c1C(=O)Nc1ccc(Oc2ccnc(N)c2Cl)c(F)c1 Show InChI InChI=1S/C26H21ClF2N4O4/c1-14(2)36-20-10-12-33(17-6-3-15(28)4-7-17)26(35)22(20)25(34)32-16-5-8-19(18(29)13-16)37-21-9-11-31-24(30)23(21)27/h3-14H,1-2H3,(H2,30,31)(H,32,34)	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	7.5	30
Bristol-Myers Squibb Company					Assay Description Kinase activity was assayed using baculovirus expressed GST-Met, and poly(Glu/Tyr) as the substrate in the presence of test compound. Dose response c...				J Med Chem 52: 1251-4 (2009) Article DOI: 10.1021/jm801586s BindingDB Entry DOI: 10.7270/Q20863MZ
					More data for this Ligand-Target Pair
Hepatocyte growth factor receptor (Homo sapiens (Human))	BDBM28027 (2-aminopyridine analogue, 6 | N-(4-{[2-amino-3-(hy...) Show SMILES Nc1nccc(Oc2ccc(NC(=O)c3cccn(-c4ccc(F)cc4)c3=O)cc2F)c1CO Show InChI InChI=1S/C24H18F2N4O4/c25-14-3-6-16(7-4-14)30-11-1-2-17(24(30)33)23(32)29-15-5-8-21(19(26)12-15)34-20-9-10-28-22(27)18(20)13-31/h1-12,31H,13H2,(H2,27,28)(H,29,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.40	n/a	n/a	n/a	n/a	7.5	30
Bristol-Myers Squibb Company					Assay Description Kinase activity was assayed using baculovirus expressed GST-Met, and poly(Glu/Tyr) as the substrate in the presence of test compound. Dose response c...				J Med Chem 52: 1251-4 (2009) Article DOI: 10.1021/jm801586s BindingDB Entry DOI: 10.7270/Q20863MZ
					More data for this Ligand-Target Pair
Hepatocyte growth factor receptor (Homo sapiens (Human))	BDBM28029 (2-aminopyridine analogue, 8 | N-(4-{[2-amino-3-(pr...) Show SMILES CC(C)c1c(N)nccc1Oc1ccc(NC(=O)c2cccn(-c3ccc(F)cc3)c2=O)cc1F Show InChI InChI=1S/C26H22F2N4O3/c1-15(2)23-22(11-12-30-24(23)29)35-21-10-7-17(14-20(21)28)31-25(33)19-4-3-13-32(26(19)34)18-8-5-16(27)6-9-18/h3-15H,1-2H3,(H2,29,30)(H,31,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.40	n/a	n/a	n/a	n/a	7.5	30
Bristol-Myers Squibb Company					Assay Description Kinase activity was assayed using baculovirus expressed GST-Met, and poly(Glu/Tyr) as the substrate in the presence of test compound. Dose response c...				J Med Chem 52: 1251-4 (2009) Article DOI: 10.1021/jm801586s BindingDB Entry DOI: 10.7270/Q20863MZ
					More data for this Ligand-Target Pair
Hepatocyte growth factor receptor (Homo sapiens (Human))	BDBM28025 (2-aminopyridine analogue, 4 | N-(4-{[2-amino-3-(3-...) Show SMILES NCC#Cc1c(N)nccc1Oc1ccc(NC(=O)c2cccn(-c3ccc(F)cc3)c2=O)cc1F Show InChI InChI=1S/C26H19F2N5O3/c27-16-5-8-18(9-6-16)33-14-2-4-20(26(33)35)25(34)32-17-7-10-23(21(28)15-17)36-22-11-13-31-24(30)19(22)3-1-12-29/h2,4-11,13-15H,12,29H2,(H2,30,31)(H,32,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.80	n/a	n/a	n/a	n/a	7.5	30
Bristol-Myers Squibb Company					Assay Description Kinase activity was assayed using baculovirus expressed GST-Met, and poly(Glu/Tyr) as the substrate in the presence of test compound. Dose response c...				J Med Chem 52: 1251-4 (2009) Article DOI: 10.1021/jm801586s BindingDB Entry DOI: 10.7270/Q20863MZ
					More data for this Ligand-Target Pair
Hepatocyte growth factor receptor (Homo sapiens (Human))	BDBM28031 (BMS-777607 | N-{4-[(2-amino-3-chloropyridin-4-yl)o...) Show SMILES CCOc1ccn(-c2ccc(F)cc2)c(=O)c1C(=O)Nc1ccc(Oc2ccnc(N)c2Cl)c(F)c1 Show InChI InChI=1S/C25H19ClF2N4O4/c1-2-35-19-10-12-32(16-6-3-14(27)4-7-16)25(34)21(19)24(33)31-15-5-8-18(17(28)13-15)36-20-9-11-30-23(29)22(20)26/h3-13H,2H2,1H3,(H2,29,30)(H,31,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	3.90	n/a	n/a	n/a	n/a	7.5	30
Bristol-Myers Squibb Company					Assay Description Kinase activity was assayed using baculovirus expressed GST-Met, and poly(Glu/Tyr) as the substrate in the presence of test compound. Dose response c...				J Med Chem 52: 1251-4 (2009) Article DOI: 10.1021/jm801586s BindingDB Entry DOI: 10.7270/Q20863MZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50333374 (5-((4-aminopiperidin-1-yl)methyl)-N-(3-chloropheny...) Show SMILES NC1CCN(Cc2ccn3ncnc(Nc4cccc(Cl)c4)c23)CC1 Show InChI InChI=1S/C18H21ClN6/c19-14-2-1-3-16(10-14)23-18-17-13(4-9-25(17)22-12-21-18)11-24-7-5-15(20)6-8-24/h1-4,9-10,12,15H,5-8,11,20H2,(H,21,22,23)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank 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
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of HER2				Bioorg Med Chem Lett 21: 781-5 (2011) Article DOI: 10.1016/j.bmcl.2010.11.100 BindingDB Entry DOI: 10.7270/Q2X34XQ4
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50333375 (5-((4-aminopiperidin-1-yl)methyl)-N-(3-bromophenyl...) Show SMILES NC1CCN(Cc2ccn3ncnc(Nc4cccc(Br)c4)c23)CC1 Show InChI InChI=1S/C18H21BrN6/c19-14-2-1-3-16(10-14)23-18-17-13(4-9-25(17)22-12-21-18)11-24-7-5-15(20)6-8-24/h1-4,9-10,12,15H,5-8,11,20H2,(H,21,22,23)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank 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
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of HER2				Bioorg Med Chem Lett 21: 781-5 (2011) Article DOI: 10.1016/j.bmcl.2010.11.100 BindingDB Entry DOI: 10.7270/Q2X34XQ4
					More data for this Ligand-Target Pair
Hepatocyte growth factor receptor (Homo sapiens (Human))	BDBM28023 (N-{4-[(2-aminopyridin-4-yl)oxy]-3-fluorophenyl}-1-...) Show SMILES Nc1cc(Oc2ccc(NC(=O)c3cccn(-c4ccc(F)cc4)c3=O)cc2F)ccn1 Show InChI InChI=1S/C23H16F2N4O3/c24-14-3-6-16(7-4-14)29-11-1-2-18(23(29)31)22(30)28-15-5-8-20(19(25)12-15)32-17-9-10-27-21(26)13-17/h1-13H,(H2,26,27)(H,28,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.5	n/a	n/a	n/a	n/a	7.5	30
Bristol-Myers Squibb Company					Assay Description Kinase activity was assayed using baculovirus expressed GST-Met, and poly(Glu/Tyr) as the substrate in the presence of test compound. Dose response c...				J Med Chem 52: 1251-4 (2009) Article DOI: 10.1021/jm801586s BindingDB Entry DOI: 10.7270/Q20863MZ
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50333376 (5-((4-aminopiperidin-1-yl)methyl)-N-m-tolylpyrrolo...) Show SMILES Cc1cccc(Nc2ncnn3ccc(CN4CCC(N)CC4)c23)c1 Show InChI InChI=1S/C19H24N6/c1-14-3-2-4-17(11-14)23-19-18-15(5-10-25(18)22-13-21-19)12-24-8-6-16(20)7-9-24/h2-5,10-11,13,16H,6-9,12,20H2,1H3,(H,21,22,23)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of HER2				Bioorg Med Chem Lett 21: 781-5 (2011) Article DOI: 10.1016/j.bmcl.2010.11.100 BindingDB Entry DOI: 10.7270/Q2X34XQ4
					More data for this Ligand-Target Pair
Hepatocyte growth factor receptor (Homo sapiens (Human))	BDBM28024 (2-aminopyridine analogue, 3 | N-[4-({2-amino-3-[(4...) Show SMILES CN1CCN(Cc2c(N)nccc2Oc2ccc(NC(=O)c3cccn(-c4ccc(F)cc4)c3=O)cc2F)CC1 Show InChI InChI=1S/C29H28F2N6O3/c1-35-13-15-36(16-14-35)18-23-25(10-11-33-27(23)32)40-26-9-6-20(17-24(26)31)34-28(38)22-3-2-12-37(29(22)39)21-7-4-19(30)5-8-21/h2-12,17H,13-16,18H2,1H3,(H2,32,33)(H,34,38)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.90	n/a	n/a	n/a	n/a	7.5	30
Bristol-Myers Squibb Company					Assay Description Kinase activity was assayed using baculovirus expressed GST-Met, and poly(Glu/Tyr) as the substrate in the presence of test compound. Dose response c...				J Med Chem 52: 1251-4 (2009) Article DOI: 10.1021/jm801586s BindingDB Entry DOI: 10.7270/Q20863MZ
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50333377 (5-((4-aminopiperidin-1-yl)methyl)-N-p-tolylpyrrolo...) Show SMILES Cc1ccc(Nc2ncnn3ccc(CN4CCC(N)CC4)c23)cc1 Show InChI InChI=1S/C19H24N6/c1-14-2-4-17(5-3-14)23-19-18-15(6-11-25(18)22-13-21-19)12-24-9-7-16(20)8-10-24/h2-6,11,13,16H,7-10,12,20H2,1H3,(H,21,22,23)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of HER2				Bioorg Med Chem Lett 21: 781-5 (2011) Article DOI: 10.1016/j.bmcl.2010.11.100 BindingDB Entry DOI: 10.7270/Q2X34XQ4
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50333378 (5-((4-aminopiperidin-1-yl)methyl)-N-(3-fluoropheny...) Show SMILES NC1CCN(Cc2ccn3ncnc(Nc4cccc(F)c4)c23)CC1 Show InChI InChI=1S/C18H21FN6/c19-14-2-1-3-16(10-14)23-18-17-13(4-9-25(17)22-12-21-18)11-24-7-5-15(20)6-8-24/h1-4,9-10,12,15H,5-8,11,20H2,(H,21,22,23)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of HER2				Bioorg Med Chem Lett 21: 781-5 (2011) Article DOI: 10.1016/j.bmcl.2010.11.100 BindingDB Entry DOI: 10.7270/Q2X34XQ4
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50333375 (5-((4-aminopiperidin-1-yl)methyl)-N-(3-bromophenyl...) Show SMILES NC1CCN(Cc2ccn3ncnc(Nc4cccc(Br)c4)c23)CC1 Show InChI InChI=1S/C18H21BrN6/c19-14-2-1-3-16(10-14)23-18-17-13(4-9-25(17)22-12-21-18)11-24-7-5-15(20)6-8-24/h1-4,9-10,12,15H,5-8,11,20H2,(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	6	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of EGFR				Bioorg Med Chem Lett 21: 781-5 (2011) Article DOI: 10.1016/j.bmcl.2010.11.100 BindingDB Entry DOI: 10.7270/Q2X34XQ4
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50333372 (5-((4-aminopiperidin-1-yl)methyl)-N-(3-chloro-4-fl...) Show SMILES NC1CCN(Cc2ccn3ncnc(Nc4ccc(F)c(Cl)c4)c23)CC1 Show InChI InChI=1S/C18H20ClFN6/c19-15-9-14(1-2-16(15)20)24-18-17-12(3-8-26(17)23-11-22-18)10-25-6-4-13(21)5-7-25/h1-3,8-9,11,13H,4-7,10,21H2,(H,22,23,24)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of HER2				Bioorg Med Chem Lett 21: 781-5 (2011) Article DOI: 10.1016/j.bmcl.2010.11.100 BindingDB Entry DOI: 10.7270/Q2X34XQ4
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50333379 (5-((4-aminopiperidin-1-yl)methyl)-N-(3-ethynylphen...) Show SMILES NC1CCN(Cc2ccn3ncnc(Nc4cccc(c4)C#C)c23)CC1 Show InChI InChI=1S/C20H22N6/c1-2-15-4-3-5-18(12-15)24-20-19-16(6-11-26(19)23-14-22-20)13-25-9-7-17(21)8-10-25/h1,3-6,11-12,14,17H,7-10,13,21H2,(H,22,23,24)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of HER2				Bioorg Med Chem Lett 21: 781-5 (2011) Article DOI: 10.1016/j.bmcl.2010.11.100 BindingDB Entry DOI: 10.7270/Q2X34XQ4
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50333374 (5-((4-aminopiperidin-1-yl)methyl)-N-(3-chloropheny...) Show SMILES NC1CCN(Cc2ccn3ncnc(Nc4cccc(Cl)c4)c23)CC1 Show InChI InChI=1S/C18H21ClN6/c19-14-2-1-3-16(10-14)23-18-17-13(4-9-25(17)22-12-21-18)11-24-7-5-15(20)6-8-24/h1-4,9-10,12,15H,5-8,11,20H2,(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	9	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of EGFR				Bioorg Med Chem Lett 21: 781-5 (2011) Article DOI: 10.1016/j.bmcl.2010.11.100 BindingDB Entry DOI: 10.7270/Q2X34XQ4
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50333380 (5-((4-aminopiperidin-1-yl)methyl)-N-phenylpyrrolo[...) Show SMILES NC1CCN(Cc2ccn3ncnc(Nc4ccccc4)c23)CC1 Show InChI InChI=1S/C18H22N6/c19-15-7-9-23(10-8-15)12-14-6-11-24-17(14)18(20-13-21-24)22-16-4-2-1-3-5-16/h1-6,11,13,15H,7-10,12,19H2,(H,20,21,22)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of HER2				Bioorg Med Chem Lett 21: 781-5 (2011) Article DOI: 10.1016/j.bmcl.2010.11.100 BindingDB Entry DOI: 10.7270/Q2X34XQ4
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50333379 (5-((4-aminopiperidin-1-yl)methyl)-N-(3-ethynylphen...) Show SMILES NC1CCN(Cc2ccn3ncnc(Nc4cccc(c4)C#C)c23)CC1 Show InChI InChI=1S/C20H22N6/c1-2-15-4-3-5-18(12-15)24-20-19-16(6-11-26(19)23-14-22-20)13-25-9-7-17(21)8-10-25/h1,3-6,11-12,14,17H,7-10,13,21H2,(H,22,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of EGFR				Bioorg Med Chem Lett 21: 781-5 (2011) Article DOI: 10.1016/j.bmcl.2010.11.100 BindingDB Entry DOI: 10.7270/Q2X34XQ4
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50333372 (5-((4-aminopiperidin-1-yl)methyl)-N-(3-chloro-4-fl...) Show SMILES NC1CCN(Cc2ccn3ncnc(Nc4ccc(F)c(Cl)c4)c23)CC1 Show InChI InChI=1S/C18H20ClFN6/c19-15-9-14(1-2-16(15)20)24-18-17-12(3-8-26(17)23-11-22-18)10-25-6-4-13(21)5-7-25/h1-3,8-9,11,13H,4-7,10,21H2,(H,22,23,24)	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	10	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of EGFR				Bioorg Med Chem Lett 21: 781-5 (2011) Article DOI: 10.1016/j.bmcl.2010.11.100 BindingDB Entry DOI: 10.7270/Q2X34XQ4
					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
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50299488 (CHEMBL565467 | {4-(1-Benzyl-1H-indazol-5-ylamino)-...) Show SMILES CCC1=C2C(N=C1NC(=O)O[C@H]1CC[C@H](N)CC1)N=CN=C2Nc1ccc2n(Cc3ccccc3)ncc2c1 |r,wU:11.11,wD:14.15,c:5,20,22,t:2,(-3.88,-32.47,;-4.85,-33.66,;-4.3,-35.1,;-2.81,-35.51,;-2.73,-37.06,;-4.18,-37.6,;-5.15,-36.4,;-6.69,-36.47,;-7.4,-37.84,;-6.56,-39.14,;-8.93,-37.92,;-9.64,-39.29,;-8.8,-40.58,;-9.51,-41.95,;-11.05,-42.02,;-11.77,-43.39,;-11.89,-40.72,;-11.18,-39.36,;-1.37,-37.75,;-.08,-36.93,;-.15,-35.39,;-1.52,-34.68,;-1.59,-33.14,;-.29,-32.31,;-.37,-30.78,;.92,-29.94,;2.3,-30.65,;3.74,-30.11,;4.14,-28.62,;5.64,-28.24,;6.72,-29.34,;8.21,-28.95,;8.62,-27.47,;7.53,-26.37,;6.04,-26.76,;4.7,-31.31,;3.85,-32.59,;2.37,-32.19,;1.07,-33.02,)| Show InChI InChI=1S/C29H32N8O2/c1-2-23-25-27(31-17-32-28(25)35-26(23)36-29(38)39-22-11-8-20(30)9-12-22)34-21-10-13-24-19(14-21)15-33-37(24)16-18-6-4-3-5-7-18/h3-7,10,13-15,17,20,22,28H,2,8-9,11-12,16,30H2,1H3,(H,31,32,34)(H,35,36,38)/t20-,22-,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 Research and Development Curated by ChEMBL					Assay Description Inhibition of human recombinant HER2 expressed in Sf9 cells by liquid scintillation counting				J Med Chem 52: 6527-30 (2009) Article DOI: 10.1021/jm9010065 BindingDB Entry DOI: 10.7270/Q2542PH9
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50299487 (CHEMBL565714 | {4-(1-Benzyl-1H-indazol-5-ylamino)-...) Show SMILES CCC1=C2C(N=C1NC(=O)OCCN1CCNCC1)N=CN=C2Nc1ccc2n(Cc3ccccc3)ncc2c1 |c:5,21,23,t:2| Show InChI InChI=1S/C29H33N9O2/c1-2-23-25-27(34-22-8-9-24-21(16-22)17-33-38(24)18-20-6-4-3-5-7-20)31-19-32-28(25)35-26(23)36-29(39)40-15-14-37-12-10-30-11-13-37/h3-9,16-17,19,28,30H,2,10-15,18H2,1H3,(H,31,32,34)(H,35,36,39)	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 Research and Development Curated by ChEMBL					Assay Description Inhibition of human recombinant HER2 expressed in Sf9 cells by liquid scintillation counting				J Med Chem 52: 6527-30 (2009) Article DOI: 10.1021/jm9010065 BindingDB Entry DOI: 10.7270/Q2542PH9
					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))	BDBM50299489 (CHEMBL567197 | {4-(1-Benzyl-1H-indazol-5-ylamino)-...) Show SMILES CCC1=C2C(N=C1NC(=O)O[C@H]1CC[C@@](C)(N)CC1)N=CN=C2Nc1ccc2n(Cc3ccccc3)ncc2c1 |r,wU:11.11,14.16,wD:14.15,c:5,21,23,t:2,(15.77,-33.64,;14.8,-34.84,;15.34,-36.28,;16.84,-36.68,;16.91,-38.23,;15.46,-38.78,;14.49,-37.57,;12.96,-37.65,;12.25,-39.02,;13.09,-40.31,;10.71,-39.09,;10.01,-40.46,;10.84,-41.75,;10.13,-43.12,;8.59,-43.19,;7.05,-43.18,;9.35,-44.52,;7.76,-41.89,;8.47,-40.53,;18.28,-38.93,;19.57,-38.1,;19.49,-36.56,;18.13,-35.85,;18.06,-34.31,;19.35,-33.48,;19.28,-31.95,;20.57,-31.12,;21.94,-31.82,;23.38,-31.28,;23.79,-29.8,;25.28,-29.41,;26.36,-30.51,;27.85,-30.13,;28.26,-28.64,;27.17,-27.54,;25.69,-27.93,;24.34,-32.49,;23.5,-33.77,;22.01,-33.36,;20.72,-34.19,)| Show InChI InChI=1S/C30H34N8O2/c1-3-23-25-27(35-21-9-10-24-20(15-21)16-34-38(24)17-19-7-5-4-6-8-19)32-18-33-28(25)36-26(23)37-29(39)40-22-11-13-30(2,31)14-12-22/h4-10,15-16,18,22,28H,3,11-14,17,31H2,1-2H3,(H,32,33,35)(H,36,37,39)/t22-,28?,30+	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 Research and Development Curated by ChEMBL					Assay Description Inhibition of human recombinant HER1 expressed in Sf9 cells by liquid scintillation counting				J Med Chem 52: 6527-30 (2009) Article DOI: 10.1021/jm9010065 BindingDB Entry DOI: 10.7270/Q2542PH9
					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))	BDBM50299489 (CHEMBL567197 | {4-(1-Benzyl-1H-indazol-5-ylamino)-...) Show SMILES CCC1=C2C(N=C1NC(=O)O[C@H]1CC[C@@](C)(N)CC1)N=CN=C2Nc1ccc2n(Cc3ccccc3)ncc2c1 |r,wU:11.11,14.16,wD:14.15,c:5,21,23,t:2,(15.77,-33.64,;14.8,-34.84,;15.34,-36.28,;16.84,-36.68,;16.91,-38.23,;15.46,-38.78,;14.49,-37.57,;12.96,-37.65,;12.25,-39.02,;13.09,-40.31,;10.71,-39.09,;10.01,-40.46,;10.84,-41.75,;10.13,-43.12,;8.59,-43.19,;7.05,-43.18,;9.35,-44.52,;7.76,-41.89,;8.47,-40.53,;18.28,-38.93,;19.57,-38.1,;19.49,-36.56,;18.13,-35.85,;18.06,-34.31,;19.35,-33.48,;19.28,-31.95,;20.57,-31.12,;21.94,-31.82,;23.38,-31.28,;23.79,-29.8,;25.28,-29.41,;26.36,-30.51,;27.85,-30.13,;28.26,-28.64,;27.17,-27.54,;25.69,-27.93,;24.34,-32.49,;23.5,-33.77,;22.01,-33.36,;20.72,-34.19,)| Show InChI InChI=1S/C30H34N8O2/c1-3-23-25-27(35-21-9-10-24-20(15-21)16-34-38(24)17-19-7-5-4-6-8-19)32-18-33-28(25)36-26(23)37-29(39)40-22-11-13-30(2,31)14-12-22/h4-10,15-16,18,22,28H,3,11-14,17,31H2,1-2H3,(H,32,33,35)(H,36,37,39)/t22-,28?,30+	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of human recombinant HER2 expressed in Sf9 cells by liquid scintillation counting				J Med Chem 52: 6527-30 (2009) Article DOI: 10.1021/jm9010065 BindingDB Entry DOI: 10.7270/Q2542PH9
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50333382 (5-((4-aminopiperidin-1-yl)methyl)-N-o-tolylpyrrolo...) Show SMILES Cc1ccccc1Nc1ncnn2ccc(CN3CCC(N)CC3)c12 Show InChI InChI=1S/C19H24N6/c1-14-4-2-3-5-17(14)23-19-18-15(6-11-25(18)22-13-21-19)12-24-9-7-16(20)8-10-24/h2-6,11,13,16H,7-10,12,20H2,1H3,(H,21,22,23)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of HER2				Bioorg Med Chem Lett 21: 781-5 (2011) Article DOI: 10.1016/j.bmcl.2010.11.100 BindingDB Entry DOI: 10.7270/Q2X34XQ4
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50333376 (5-((4-aminopiperidin-1-yl)methyl)-N-m-tolylpyrrolo...) Show SMILES Cc1cccc(Nc2ncnn3ccc(CN4CCC(N)CC4)c23)c1 Show InChI InChI=1S/C19H24N6/c1-14-3-2-4-17(11-14)23-19-18-15(5-10-25(18)22-13-21-19)12-24-8-6-16(20)7-9-24/h2-5,10-11,13,16H,6-9,12,20H2,1H3,(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	20	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of EGFR				Bioorg Med Chem Lett 21: 781-5 (2011) Article DOI: 10.1016/j.bmcl.2010.11.100 BindingDB Entry DOI: 10.7270/Q2X34XQ4
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50333381 ((S)-N-(3-ethynylphenyl)-5-((morpholin-2-ylmethoxy)...) Show SMILES C#Cc1cccc(Nc2ncnn3ccc(COC[C@@H]4CNCCO4)c23)c1 |r| Show InChI InChI=1S/C20H21N5O2/c1-2-15-4-3-5-17(10-15)24-20-19-16(6-8-25(19)23-14-22-20)12-26-13-18-11-21-7-9-27-18/h1,3-6,8,10,14,18,21H,7,9,11-13H2,(H,22,23,24)/t18-/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	20	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of HER2				Bioorg Med Chem Lett 21: 781-5 (2011) Article DOI: 10.1016/j.bmcl.2010.11.100 BindingDB Entry DOI: 10.7270/Q2X34XQ4
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50299487 (CHEMBL565714 | {4-(1-Benzyl-1H-indazol-5-ylamino)-...) Show SMILES CCC1=C2C(N=C1NC(=O)OCCN1CCNCC1)N=CN=C2Nc1ccc2n(Cc3ccccc3)ncc2c1 |c:5,21,23,t:2| Show InChI InChI=1S/C29H33N9O2/c1-2-23-25-27(34-22-8-9-24-21(16-22)17-33-38(24)18-20-6-4-3-5-7-20)31-19-32-28(25)35-26(23)36-29(39)40-15-14-37-12-10-30-11-13-37/h3-9,16-17,19,28,30H,2,10-15,18H2,1H3,(H,31,32,34)(H,35,36,39)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of human recombinant HER1 expressed in Sf9 cells by liquid scintillation counting				J Med Chem 52: 6527-30 (2009) Article DOI: 10.1021/jm9010065 BindingDB Entry DOI: 10.7270/Q2542PH9
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50299490 (CHEMBL567873 | {4-(1-Benzyl-1H-indazol-5-ylamino)-...) Show SMILES CCC1=C2C(N=C1NC(=O)OC[C@@H]1COCCN1)N=CN=C2Nc1ccc2n(Cc3ccccc3)ncc2c1 |r,c:5,20,22,t:2| Show InChI InChI=1S/C28H30N8O3/c1-2-22-24-26(30-17-31-27(24)34-25(22)35-28(37)39-16-21-15-38-11-10-29-21)33-20-8-9-23-19(12-20)13-32-36(23)14-18-6-4-3-5-7-18/h3-9,12-13,17,21,27,29H,2,10-11,14-16H2,1H3,(H,30,31,33)(H,34,35,37)/t21-,27?/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	21	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of human recombinant HER2 expressed in Sf9 cells by liquid scintillation counting				J Med Chem 52: 6527-30 (2009) Article DOI: 10.1021/jm9010065 BindingDB Entry DOI: 10.7270/Q2542PH9
					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
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50333373 (CHEMBL1645462 | [4-[[1-(3-fluorophenyl)methyl]-1H-...) Show SMILES Cc1c(NC(=O)OC[C@@H]2COCCN2)cn2ncnc(Nc3ccc4n(Cc5cccc(F)c5)ncc4c3)c12 |r| Show InChI InChI=1S/C27H27FN8O3/c1-17-23(34-27(37)39-15-22-14-38-8-7-29-22)13-36-25(17)26(30-16-32-36)33-21-5-6-24-19(10-21)11-31-35(24)12-18-3-2-4-20(28)9-18/h2-6,9-11,13,16,22,29H,7-8,12,14-15H2,1H3,(H,34,37)(H,30,32,33)/t22-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE 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 Research and Development Curated by ChEMBL					Assay Description Inhibition of human recombinant HER2 expressed in Sf9 cells by liquid scintillation counting				J Med Chem 52: 6527-30 (2009) Article DOI: 10.1021/jm9010065 BindingDB Entry DOI: 10.7270/Q2542PH9
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50299491 (CHEMBL583403 | [4-[[1-(3-fluorophenyl)methyl]-1H-i...) Show SMILES CCC1=C2C(N=C1NC(=O)OC[C@@H]1COCCN1)N=CN=C2Nc1ccc2n(Cc3cccc(F)c3)ncc2c1 |r,c:5,20,22,t:2| Show InChI InChI=1S/C28H29FN8O3/c1-2-22-24-26(31-16-32-27(24)35-25(22)36-28(38)40-15-21-14-39-9-8-30-21)34-20-6-7-23-18(11-20)12-33-37(23)13-17-4-3-5-19(29)10-17/h3-7,10-12,16,21,27,30H,2,8-9,13-15H2,1H3,(H,31,32,34)(H,35,36,38)/t21-,27?/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	22	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of human recombinant HER2 expressed in Sf9 cells by liquid scintillation counting				J Med Chem 52: 6527-30 (2009) Article DOI: 10.1021/jm9010065 BindingDB Entry DOI: 10.7270/Q2542PH9
					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	22	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of HER2				Bioorg Med Chem Lett 21: 781-5 (2011) Article DOI: 10.1016/j.bmcl.2010.11.100 BindingDB Entry DOI: 10.7270/Q2X34XQ4
					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))	BDBM50333373 (CHEMBL1645462 | [4-[[1-(3-fluorophenyl)methyl]-1H-...) Show SMILES Cc1c(NC(=O)OC[C@@H]2COCCN2)cn2ncnc(Nc3ccc4n(Cc5cccc(F)c5)ncc4c3)c12 |r| Show InChI InChI=1S/C27H27FN8O3/c1-17-23(34-27(37)39-15-22-14-38-8-7-29-22)13-36-25(17)26(30-16-32-36)33-21-5-6-24-19(10-21)11-31-35(24)12-18-3-2-4-20(28)9-18/h2-6,9-11,13,16,22,29H,7-8,12,14-15H2,1H3,(H,34,37)(H,30,32,33)/t22-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of HER2				Bioorg Med Chem Lett 21: 781-5 (2011) Article DOI: 10.1016/j.bmcl.2010.11.100 BindingDB Entry DOI: 10.7270/Q2X34XQ4
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50299491 (CHEMBL583403 | [4-[[1-(3-fluorophenyl)methyl]-1H-i...) Show SMILES CCC1=C2C(N=C1NC(=O)OC[C@@H]1COCCN1)N=CN=C2Nc1ccc2n(Cc3cccc(F)c3)ncc2c1 |r,c:5,20,22,t:2| Show InChI InChI=1S/C28H29FN8O3/c1-2-22-24-26(31-16-32-27(24)35-25(22)36-28(38)40-15-21-14-39-9-8-30-21)34-20-6-7-23-18(11-20)12-33-37(23)13-17-4-3-5-19(29)10-17/h3-7,10-12,16,21,27,30H,2,8-9,13-15H2,1H3,(H,31,32,34)(H,35,36,38)/t21-,27?/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	23	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of human recombinant HER1 expressed in Sf9 cells by liquid scintillation counting				J Med Chem 52: 6527-30 (2009) Article DOI: 10.1021/jm9010065 BindingDB Entry DOI: 10.7270/Q2542PH9
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50299488 (CHEMBL565467 | {4-(1-Benzyl-1H-indazol-5-ylamino)-...) Show SMILES CCC1=C2C(N=C1NC(=O)O[C@H]1CC[C@H](N)CC1)N=CN=C2Nc1ccc2n(Cc3ccccc3)ncc2c1 |r,wU:11.11,wD:14.15,c:5,20,22,t:2,(-3.88,-32.47,;-4.85,-33.66,;-4.3,-35.1,;-2.81,-35.51,;-2.73,-37.06,;-4.18,-37.6,;-5.15,-36.4,;-6.69,-36.47,;-7.4,-37.84,;-6.56,-39.14,;-8.93,-37.92,;-9.64,-39.29,;-8.8,-40.58,;-9.51,-41.95,;-11.05,-42.02,;-11.77,-43.39,;-11.89,-40.72,;-11.18,-39.36,;-1.37,-37.75,;-.08,-36.93,;-.15,-35.39,;-1.52,-34.68,;-1.59,-33.14,;-.29,-32.31,;-.37,-30.78,;.92,-29.94,;2.3,-30.65,;3.74,-30.11,;4.14,-28.62,;5.64,-28.24,;6.72,-29.34,;8.21,-28.95,;8.62,-27.47,;7.53,-26.37,;6.04,-26.76,;4.7,-31.31,;3.85,-32.59,;2.37,-32.19,;1.07,-33.02,)| Show InChI InChI=1S/C29H32N8O2/c1-2-23-25-27(31-17-32-28(25)35-26(23)36-29(38)39-22-11-8-20(30)9-12-22)34-21-10-13-24-19(14-21)15-33-37(24)16-18-6-4-3-5-7-18/h3-7,10,13-15,17,20,22,28H,2,8-9,11-12,16,30H2,1H3,(H,31,32,34)(H,35,36,38)/t20-,22-,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	23	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of human recombinant HER1 expressed in Sf9 cells by liquid scintillation counting				J Med Chem 52: 6527-30 (2009) Article DOI: 10.1021/jm9010065 BindingDB Entry DOI: 10.7270/Q2542PH9
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50299492 (CHEMBL583218 | {4-(1-Benzyl-1H-indazol-5-ylamino)-...) Show SMILES CCC1=C2C(N=C1NC(=O)OCC1CCNCC1)N=CN=C2Nc1ccc2n(Cc3ccccc3)ncc2c1 |c:5,20,22,t:2| Show InChI InChI=1S/C29H32N8O2/c1-2-23-25-27(31-18-32-28(25)35-26(23)36-29(38)39-17-20-10-12-30-13-11-20)34-22-8-9-24-21(14-22)15-33-37(24)16-19-6-4-3-5-7-19/h3-9,14-15,18,20,28,30H,2,10-13,16-17H2,1H3,(H,31,32,34)(H,35,36,38)	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 Research and Development Curated by ChEMBL					Assay Description Inhibition of human recombinant HER2 expressed in Sf9 cells by liquid scintillation counting				J Med Chem 52: 6527-30 (2009) Article DOI: 10.1021/jm9010065 BindingDB Entry DOI: 10.7270/Q2542PH9
					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 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

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