Compile Data Set for Download or QSAR

Found 287 hits with Last Name = 'blanar' and Initial = 'm'   

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
3-hydroxy-3-methylglutaryl-coenzyme A reductase (Rattus norvegicus (rat))	BDBM22158 ((3R,5S,6E)-7-[4-(4-fluorophenyl)-2-[methyl(1-methy...) Show SMILES CC(C)c1nc(nc(-c2ccc(F)cc2)c1\C=C\[C@@H](O)C[C@@H](O)CC(O)=O)N(C)c1nnnn1C |r| Show InChI InChI=1S/C23H28FN7O4/c1-13(2)20-18(10-9-16(32)11-17(33)12-19(34)35)21(14-5-7-15(24)8-6-14)26-22(25-20)30(3)23-27-28-29-31(23)4/h5-10,13,16-17,32-33H,11-12H2,1-4H3,(H,34,35)/b10-9+/t16-,17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.5	n/a	1.40	n/a	n/a	7.0	37
Bristol-Myers Squibb Company					Assay Description Enzyme Assay for HMG-CoA reductase was based on the conversion of isotopically labeled HMG-CoA to mevalonic acid using rat liver microsomes as enzyme...				J Med Chem 51: 2722-33 (2008) Article DOI: 10.1021/jm800001n BindingDB Entry DOI: 10.7270/Q2FT8JB2
					More data for this Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase (Rattus norvegicus (rat))	BDBM22160 (pyrazole compound, 14a | sodium 5-({5-[(1E,3S,5R)-...) Show SMILES CC(C)c1nc(Nc2cc(nn2C)C(O)=O)nc(-c2ccc(F)cc2)c1\C=C\[C@@H](O)C[C@@H](O)CC(O)=O |r| Show InChI InChI=1S/C25H28FN5O6/c1-13(2)22-18(9-8-16(32)10-17(33)11-21(34)35)23(14-4-6-15(26)7-5-14)29-25(28-22)27-20-12-19(24(36)37)30-31(20)3/h4-9,12-13,16-17,32-33H,10-11H2,1-3H3,(H,34,35)(H,36,37)(H,27,28,29)/b9-8+/t16-,17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.900	n/a	13.7	n/a	n/a	7.0	37
Bristol-Myers Squibb Company					Assay Description Enzyme Assay for HMG-CoA reductase was based on the conversion of isotopically labeled HMG-CoA to mevalonic acid using rat liver microsomes as enzyme...				J Med Chem 51: 2722-33 (2008) Article DOI: 10.1021/jm800001n BindingDB Entry DOI: 10.7270/Q2FT8JB2
					More data for this Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase (Rattus norvegicus (rat))	BDBM22157 ((3R,5S,6E)-7-[4-(4-fluorophenyl)-2-[(1-methyl-1H-1...) Show SMILES CC(C)c1nc(Nc2nnnn2C)nc(-c2ccc(F)cc2)c1\C=C\[C@@H](O)C[C@@H](O)CC(O)=O |r| Show InChI InChI=1S/C22H26FN7O4/c1-12(2)19-17(9-8-15(31)10-16(32)11-18(33)34)20(13-4-6-14(23)7-5-13)25-21(24-19)26-22-27-28-29-30(22)3/h4-9,12,15-16,31-32H,10-11H2,1-3H3,(H,33,34)(H,24,25,26,27,29)/b9-8+/t15-,16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.900	n/a	1.5	n/a	n/a	7.0	37
Bristol-Myers Squibb Company					Assay Description Enzyme Assay for HMG-CoA reductase was based on the conversion of isotopically labeled HMG-CoA to mevalonic acid using rat liver microsomes as enzyme...				J Med Chem 51: 2722-33 (2008) Article DOI: 10.1021/jm800001n BindingDB Entry DOI: 10.7270/Q2FT8JB2
					More data for this Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase (Rattus norvegicus (rat))	BDBM22163 (BMS-644950 | sodium (3R,5S,6E)-7-[4-(4-fluoropheny...) Show SMILES CC(C)c1nc(nc(-c2ccc(F)cc2)c1\C=C\[C@@H](O)C[C@@H](O)CC(O)=O)N(C)c1ncnn1C |r| Show InChI InChI=1S/C24H29FN6O4/c1-14(2)21-19(10-9-17(32)11-18(33)12-20(34)35)22(15-5-7-16(25)8-6-15)29-23(28-21)30(3)24-26-13-27-31(24)4/h5-10,13-14,17-18,32-33H,11-12H2,1-4H3,(H,34,35)/b10-9+/t17-,18-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.40	n/a	3.95	n/a	n/a	7.0	37
Bristol-Myers Squibb Company					Assay Description Enzyme Assay for HMG-CoA reductase was based on the conversion of isotopically labeled HMG-CoA to mevalonic acid using rat liver microsomes as enzyme...				J Med Chem 51: 2722-33 (2008) Article DOI: 10.1021/jm800001n BindingDB Entry DOI: 10.7270/Q2FT8JB2
					More data for this Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase (Rattus norvegicus (rat))	BDBM22154 ((3R,5S,6E)-7-[4-(4-fluorophenyl)-2-[(1-methyl-1H-p...) Show SMILES CC(C)c1nc(Nc2ccn(C)n2)nc(-c2ccc(F)cc2)c1\C=C\[C@@H](O)C[C@@H](O)CC(O)=O |r| Show InChI InChI=1S/C24H28FN5O4/c1-14(2)22-19(9-8-17(31)12-18(32)13-21(33)34)23(15-4-6-16(25)7-5-15)28-24(27-22)26-20-10-11-30(3)29-20/h4-11,14,17-18,31-32H,12-13H2,1-3H3,(H,33,34)(H,26,27,28,29)/b9-8+/t17-,18-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.80	n/a	3.70	n/a	n/a	7.0	37
Bristol-Myers Squibb Company					Assay Description Enzyme Assay for HMG-CoA reductase was based on the conversion of isotopically labeled HMG-CoA to mevalonic acid using rat liver microsomes as enzyme...				J Med Chem 51: 2722-33 (2008) Article DOI: 10.1021/jm800001n BindingDB Entry DOI: 10.7270/Q2FT8JB2
					More data for this Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase (Rattus norvegicus (rat))	BDBM22152 ((3R,5S,6E)-7-[4-(4-fluorophenyl)-2-[N-(1-methyl-1H...) Show SMILES CC(C)c1nc(nc(-c2ccc(F)cc2)c1\C=C\[C@@H](O)C[C@@H](O)CC(O)=O)N(c1ccnn1C)S(C)(=O)=O |r| Show InChI InChI=1S/C25H30FN5O6S/c1-15(2)23-20(10-9-18(32)13-19(33)14-22(34)35)24(16-5-7-17(26)8-6-16)29-25(28-23)31(38(4,36)37)21-11-12-27-30(21)3/h5-12,15,18-19,32-33H,13-14H2,1-4H3,(H,34,35)/b10-9+/t18-,19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.20	n/a	5.40	n/a	n/a	7.0	37
Bristol-Myers Squibb Company					Assay Description Enzyme Assay for HMG-CoA reductase was based on the conversion of isotopically labeled HMG-CoA to mevalonic acid using rat liver microsomes as enzyme...				J Med Chem 51: 2722-33 (2008) Article DOI: 10.1021/jm800001n BindingDB Entry DOI: 10.7270/Q2FT8JB2
					More data for this Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase (Rattus norvegicus (rat))	BDBM22147 ((3R,5S,6E)-7-[4-(4-fluorophenyl)-2-(1,2-oxazol-3-y...) Show SMILES CC(C)c1nc(Nc2ccon2)nc(-c2ccc(F)cc2)c1\C=C\[C@@H](O)C[C@@H](O)CC(O)=O |r| Show InChI InChI=1S/C23H25FN4O5/c1-13(2)21-18(8-7-16(29)11-17(30)12-20(31)32)22(14-3-5-15(24)6-4-14)27-23(26-21)25-19-9-10-33-28-19/h3-10,13,16-17,29-30H,11-12H2,1-2H3,(H,31,32)(H,25,26,27,28)/b8-7+/t16-,17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.30	n/a	1.40	n/a	n/a	7.0	37
Bristol-Myers Squibb Company					Assay Description Enzyme Assay for HMG-CoA reductase was based on the conversion of isotopically labeled HMG-CoA to mevalonic acid using rat liver microsomes as enzyme...				J Med Chem 51: 2722-33 (2008) Article DOI: 10.1021/jm800001n BindingDB Entry DOI: 10.7270/Q2FT8JB2
					More data for this Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase (Rattus norvegicus (rat))	BDBM22150 ((3R,5S,6E)-7-[4-(4-fluorophenyl)-2-[(1-methyl-1H-p...) Show SMILES CC(C)c1nc(Nc2ccnn2C)nc(-c2ccc(F)cc2)c1\C=C\[C@@H](O)C[C@@H](O)CC(O)=O |r| Show InChI InChI=1S/C24H28FN5O4/c1-14(2)22-19(9-8-17(31)12-18(32)13-21(33)34)23(15-4-6-16(25)7-5-15)29-24(28-22)27-20-10-11-26-30(20)3/h4-11,14,17-18,31-32H,12-13H2,1-3H3,(H,33,34)(H,27,28,29)/b9-8+/t17-,18-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.40	n/a	1.30	n/a	n/a	7.0	37
Bristol-Myers Squibb Company					Assay Description Enzyme Assay for HMG-CoA reductase was based on the conversion of isotopically labeled HMG-CoA to mevalonic acid using rat liver microsomes as enzyme...				J Med Chem 51: 2722-33 (2008) Article DOI: 10.1021/jm800001n BindingDB Entry DOI: 10.7270/Q2FT8JB2
					More data for this Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase (Rattus norvegicus (rat))	BDBM22155 ((3R,5S,6E)-7-[4-(4-fluorophenyl)-2-[methyl(1-methy...) Show SMILES CC(C)c1nc(nc(-c2ccc(F)cc2)c1\C=C\[C@@H](O)C[C@@H](O)CC(O)=O)N(C)c1ccn(C)n1 |r| Show InChI InChI=1S/C25H30FN5O4/c1-15(2)23-20(10-9-18(32)13-19(33)14-22(34)35)24(16-5-7-17(26)8-6-16)28-25(27-23)31(4)21-11-12-30(3)29-21/h5-12,15,18-19,32-33H,13-14H2,1-4H3,(H,34,35)/b10-9+/t18-,19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.5	n/a	1.20	n/a	n/a	7.0	37
Bristol-Myers Squibb Company					Assay Description Enzyme Assay for HMG-CoA reductase was based on the conversion of isotopically labeled HMG-CoA to mevalonic acid using rat liver microsomes as enzyme...				J Med Chem 51: 2722-33 (2008) Article DOI: 10.1021/jm800001n BindingDB Entry DOI: 10.7270/Q2FT8JB2
					More data for this Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase (Rattus norvegicus (rat))	BDBM22151 ((3R,5S,6E)-7-[4-(4-fluorophenyl)-2-[methyl(1-methy...) Show SMILES CC(C)c1nc(nc(-c2ccc(F)cc2)c1\C=C\[C@@H](O)C[C@@H](O)CC(O)=O)N(C)c1ccnn1C |r| Show InChI InChI=1S/C25H30FN5O4/c1-15(2)23-20(10-9-18(32)13-19(33)14-22(34)35)24(16-5-7-17(26)8-6-16)29-25(28-23)30(3)21-11-12-27-31(21)4/h5-12,15,18-19,32-33H,13-14H2,1-4H3,(H,34,35)/b10-9+/t18-,19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.5	n/a	2.5	n/a	n/a	7.0	37
Bristol-Myers Squibb Company					Assay Description Enzyme Assay for HMG-CoA reductase was based on the conversion of isotopically labeled HMG-CoA to mevalonic acid using rat liver microsomes as enzyme...				J Med Chem 51: 2722-33 (2008) Article DOI: 10.1021/jm800001n BindingDB Entry DOI: 10.7270/Q2FT8JB2
					More data for this Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase (Rattus norvegicus (rat))	BDBM22162 (sodium (3R,5S,6E)-7-[4-(4-fluorophenyl)-2-[N-(1-me...) Show SMILES CC(C)c1nc(nc(-c2ccc(F)cc2)c1\C=C\[C@@H](O)C[C@@H](O)CC(O)=O)N(c1ncnn1C)S(C)(=O)=O |r| Show InChI InChI=1S/C24H29FN6O6S/c1-14(2)21-19(10-9-17(32)11-18(33)12-20(34)35)22(15-5-7-16(25)8-6-15)29-23(28-21)31(38(4,36)37)24-26-13-27-30(24)3/h5-10,13-14,17-18,32-33H,11-12H2,1-4H3,(H,34,35)/b10-9+/t17-,18-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.90	n/a	7.5	n/a	n/a	7.0	37
Bristol-Myers Squibb Company					Assay Description Enzyme Assay for HMG-CoA reductase was based on the conversion of isotopically labeled HMG-CoA to mevalonic acid using rat liver microsomes as enzyme...				J Med Chem 51: 2722-33 (2008) Article DOI: 10.1021/jm800001n BindingDB Entry DOI: 10.7270/Q2FT8JB2
					More data for this Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase (Rattus norvegicus (rat))	BDBM22161 (sodium (3R,5S,6E)-7-[4-(4-fluorophenyl)-2-[(1-meth...) Show SMILES CC(C)c1nc(Nc2ncnn2C)nc(-c2ccc(F)cc2)c1\C=C\[C@@H](O)C[C@@H](O)CC(O)=O |r| Show InChI InChI=1S/C23H27FN6O4/c1-13(2)20-18(9-8-16(31)10-17(32)11-19(33)34)21(14-4-6-15(24)7-5-14)28-22(27-20)29-23-25-12-26-30(23)3/h4-9,12-13,16-17,31-32H,10-11H2,1-3H3,(H,33,34)(H,25,26,27,28,29)/b9-8+/t16-,17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3	n/a	3.70	n/a	n/a	7.0	37
Bristol-Myers Squibb Company					Assay Description Enzyme Assay for HMG-CoA reductase was based on the conversion of isotopically labeled HMG-CoA to mevalonic acid using rat liver microsomes as enzyme...				J Med Chem 51: 2722-33 (2008) Article DOI: 10.1021/jm800001n BindingDB Entry DOI: 10.7270/Q2FT8JB2
					More data for this Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase (Rattus norvegicus (rat))	BDBM18372 ((3R,5S,6E)-7-[4-(4-fluorophenyl)-2-(N-methylmethan...) Show SMILES CC(C)c1nc(nc(-c2ccc(F)cc2)c1\C=C\[C@@H](O)C[C@@H](O)CC(O)=O)N(C)S(C)(=O)=O |r| Show InChI InChI=1S/C22H28FN3O6S/c1-13(2)20-18(10-9-16(27)11-17(28)12-19(29)30)21(14-5-7-15(23)8-6-14)25-22(24-20)26(3)33(4,31)32/h5-10,13,16-17,27-28H,11-12H2,1-4H3,(H,29,30)/b10-9+/t16-,17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	3.10	n/a	0.600	n/a	n/a	7.0	37
Bristol-Myers Squibb Company					Assay Description Enzyme Assay for HMG-CoA reductase was based on the conversion of isotopically labeled HMG-CoA to mevalonic acid using rat liver microsomes as enzyme...				J Med Chem 51: 2722-33 (2008) Article DOI: 10.1021/jm800001n BindingDB Entry DOI: 10.7270/Q2FT8JB2
					More data for this Ligand-Target Pair				3D Structure (crystal)
3-hydroxy-3-methylglutaryl-coenzyme A reductase (Rattus norvegicus (rat))	BDBM22156 ((3R,5S,6E)-7-[4-(4-fluorophenyl)-2-[N-(1-methyl-1H...) Show SMILES CC(C)c1nc(nc(-c2ccc(F)cc2)c1\C=C\[C@@H](O)C[C@@H](O)CC(O)=O)N(c1ccn(C)n1)S(C)(=O)=O |r| Show InChI InChI=1S/C25H30FN5O6S/c1-15(2)23-20(10-9-18(32)13-19(33)14-22(34)35)24(16-5-7-17(26)8-6-16)28-25(27-23)31(38(4,36)37)21-11-12-30(3)29-21/h5-12,15,18-19,32-33H,13-14H2,1-4H3,(H,34,35)/b10-9+/t18-,19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.70	n/a	7.70	n/a	n/a	7.0	37
Bristol-Myers Squibb Company					Assay Description Enzyme Assay for HMG-CoA reductase was based on the conversion of isotopically labeled HMG-CoA to mevalonic acid using rat liver microsomes as enzyme...				J Med Chem 51: 2722-33 (2008) Article DOI: 10.1021/jm800001n BindingDB Entry DOI: 10.7270/Q2FT8JB2
					More data for this Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase (Rattus norvegicus (rat))	BDBM22159 ((3R,5S,6E)-7-[4-(4-fluorophenyl)-2-[N-(1-methyl-1H...) Show SMILES CC(C)c1nc(nc(-c2ccc(F)cc2)c1\C=C\[C@@H](O)C[C@@H](O)CC(O)=O)N(c1nnnn1C)S(C)(=O)=O |r| Show InChI InChI=1S/C23H28FN7O6S/c1-13(2)20-18(10-9-16(32)11-17(33)12-19(34)35)21(14-5-7-15(24)8-6-14)26-22(25-20)31(38(4,36)37)23-27-28-29-30(23)3/h5-10,13,16-17,32-33H,11-12H2,1-4H3,(H,34,35)/b10-9+/t16-,17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.20	n/a	1	n/a	n/a	7.0	37
Bristol-Myers Squibb Company					Assay Description Enzyme Assay for HMG-CoA reductase was based on the conversion of isotopically labeled HMG-CoA to mevalonic acid using rat liver microsomes as enzyme...				J Med Chem 51: 2722-33 (2008) Article DOI: 10.1021/jm800001n BindingDB Entry DOI: 10.7270/Q2FT8JB2
					More data for this Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase (Rattus norvegicus (rat))	BDBM18375 ((3R,5R)-7-[(1S,2S,6R,8S,8aR)-8-[(2,2-dimethylbutan...) Show SMILES [H][C@]12[C@H](C[C@@H](C)C=C1C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(O)=O)OC(=O)C(C)(C)CC |r,c:6,9| Show InChI InChI=1S/C25H40O6/c1-6-25(4,5)24(30)31-21-12-15(2)11-17-8-7-16(3)20(23(17)21)10-9-18(26)13-19(27)14-22(28)29/h7-8,11,15-16,18-21,23,26-27H,6,9-10,12-14H2,1-5H3,(H,28,29)/t15-,16-,18+,19+,20-,21-,23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	4.30	n/a	6.20	n/a	n/a	7.0	37
Bristol-Myers Squibb Company					Assay Description Enzyme Assay for HMG-CoA reductase was based on the conversion of isotopically labeled HMG-CoA to mevalonic acid using rat liver microsomes as enzyme...				J Med Chem 51: 2722-33 (2008) Article DOI: 10.1021/jm800001n BindingDB Entry DOI: 10.7270/Q2FT8JB2
					More data for this Ligand-Target Pair				3D Structure (crystal)
3-hydroxy-3-methylglutaryl-coenzyme A reductase (Rattus norvegicus (rat))	BDBM22164 ((3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylca...) Show SMILES CC(C)c1c(C(=O)Nc2ccccc2)c(c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(O)=O)-c1ccccc1 |r| Show InChI InChI=1S/C33H35FN2O5/c1-21(2)31-30(33(41)35-25-11-7-4-8-12-25)29(22-9-5-3-6-10-22)32(23-13-15-24(34)16-14-23)36(31)18-17-26(37)19-27(38)20-28(39)40/h3-16,21,26-27,37-38H,17-20H2,1-2H3,(H,35,41)(H,39,40)/t26-,27-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	6.20	n/a	2.5	n/a	n/a	7.0	37
Bristol-Myers Squibb Company					Assay Description Enzyme Assay for HMG-CoA reductase was based on the conversion of isotopically labeled HMG-CoA to mevalonic acid using rat liver microsomes as enzyme...				J Med Chem 51: 2722-33 (2008) Article DOI: 10.1021/jm800001n BindingDB Entry DOI: 10.7270/Q2FT8JB2
					More data for this Ligand-Target Pair				3D Structure (crystal)
3-hydroxy-3-methylglutaryl-coenzyme A reductase (Rattus norvegicus (rat))	BDBM22146 ((3R,5S,6E)-7-[4-(4-fluorophenyl)-2-[(5-phenyl-1,2,...) Show SMILES CC(C)c1nc(Nc2nsc(n2)-c2ccccc2)nc(-c2ccc(F)cc2)c1\C=C\[C@@H](O)C[C@@H](O)CC(O)=O |r| Show InChI InChI=1S/C28H28FN5O4S/c1-16(2)24-22(13-12-20(35)14-21(36)15-23(37)38)25(17-8-10-19(29)11-9-17)31-27(30-24)33-28-32-26(39-34-28)18-6-4-3-5-7-18/h3-13,16,20-21,35-36H,14-15H2,1-2H3,(H,37,38)(H,30,31,33,34)/b13-12+/t20-,21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	6.90	n/a	7.70	n/a	n/a	7.0	37
Bristol-Myers Squibb Company					Assay Description Enzyme Assay for HMG-CoA reductase was based on the conversion of isotopically labeled HMG-CoA to mevalonic acid using rat liver microsomes as enzyme...				J Med Chem 51: 2722-33 (2008) Article DOI: 10.1021/jm800001n BindingDB Entry DOI: 10.7270/Q2FT8JB2
					More data for this Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase (Rattus norvegicus (rat))	BDBM22148 ((3R,5S,6E)-7-[4-(4-fluorophenyl)-2-[methyl(1,2-oxa...) Show SMILES CC(C)c1nc(nc(-c2ccc(F)cc2)c1\C=C\[C@@H](O)C[C@@H](O)CC(O)=O)N(C)c1ccon1 |r| Show InChI InChI=1S/C24H27FN4O5/c1-14(2)22-19(9-8-17(30)12-18(31)13-21(32)33)23(15-4-6-16(25)7-5-15)27-24(26-22)29(3)20-10-11-34-28-20/h4-11,14,17-18,30-31H,12-13H2,1-3H3,(H,32,33)/b9-8+/t17-,18-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	9	n/a	n/a	7.0	37
Bristol-Myers Squibb Company					Assay Description Enzyme Assay for HMG-CoA reductase was based on the conversion of isotopically labeled HMG-CoA to mevalonic acid using rat liver microsomes as enzyme...				J Med Chem 51: 2722-33 (2008) Article DOI: 10.1021/jm800001n BindingDB Entry DOI: 10.7270/Q2FT8JB2
					More data for this Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase (Rattus norvegicus (rat))	BDBM18376 ((3R,5S,6E)-7-[4-(4-fluorophenyl)-5-(methoxymethyl)...) Show SMILES COCc1c(nc(C(C)C)c(\C=C\[C@@H](O)C[C@@H](O)CC(O)=O)c1-c1ccc(F)cc1)C(C)C |r| Show InChI InChI=1S/C26H34FNO5/c1-15(2)25-21(11-10-19(29)12-20(30)13-23(31)32)24(17-6-8-18(27)9-7-17)22(14-33-5)26(28-25)16(3)4/h6-11,15-16,19-20,29-30H,12-14H2,1-5H3,(H,31,32)/b11-10+/t19-,20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	9.80	n/a	2.30	n/a	n/a	7.0	37
Bristol-Myers Squibb Company					Assay Description Enzyme Assay for HMG-CoA reductase was based on the conversion of isotopically labeled HMG-CoA to mevalonic acid using rat liver microsomes as enzyme...				J Med Chem 51: 2722-33 (2008) Article DOI: 10.1021/jm800001n BindingDB Entry DOI: 10.7270/Q2FT8JB2
					More data for this Ligand-Target Pair				3D Structure (crystal)
3-hydroxy-3-methylglutaryl-coenzyme A reductase (Rattus norvegicus (rat))	BDBM22153 ((3R,5S,6E)-7-{2-[(3-tert-butyl-1-methyl-1H-pyrazol...) Show SMILES CC(C)c1nc(Nc2cc(nn2C)C(C)(C)C)nc(-c2ccc(F)cc2)c1\C=C\[C@@H](O)C[C@@H](O)CC(O)=O |r| Show InChI InChI=1S/C28H36FN5O4/c1-16(2)25-21(12-11-19(35)13-20(36)14-24(37)38)26(17-7-9-18(29)10-8-17)32-27(31-25)30-23-15-22(28(3,4)5)33-34(23)6/h7-12,15-16,19-20,35-36H,13-14H2,1-6H3,(H,37,38)(H,30,31,32)/b12-11+/t19-,20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	12.4	n/a	1.90	n/a	n/a	7.0	37
Bristol-Myers Squibb Company					Assay Description Enzyme Assay for HMG-CoA reductase was based on the conversion of isotopically labeled HMG-CoA to mevalonic acid using rat liver microsomes as enzyme...				J Med Chem 51: 2722-33 (2008) Article DOI: 10.1021/jm800001n BindingDB Entry DOI: 10.7270/Q2FT8JB2
					More data for this Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase (Rattus norvegicus (rat))	BDBM20688 ((3R,5R)-7-[(1S,2S,6S,8S,8aR)-6-hydroxy-2-methyl-8-...) Show SMILES [H][C@]12[C@H](C[C@H](O)C=C1C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(O)=O)OC(=O)[C@@H](C)CC |r,c:6,9| Show InChI InChI=1S/C23H36O7/c1-4-13(2)23(29)30-20-11-17(25)9-15-6-5-14(3)19(22(15)20)8-7-16(24)10-18(26)12-21(27)28/h5-6,9,13-14,16-20,22,24-26H,4,7-8,10-12H2,1-3H3,(H,27,28)/t13-,14-,16+,17+,18+,19-,20-,22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	31.6	n/a	29	n/a	n/a	7.0	37
Bristol-Myers Squibb Company					Assay Description Enzyme Assay for HMG-CoA reductase was based on the conversion of isotopically labeled HMG-CoA to mevalonic acid using rat liver microsomes as enzyme...				J Med Chem 51: 2722-33 (2008) Article DOI: 10.1021/jm800001n BindingDB Entry DOI: 10.7270/Q2FT8JB2
					More data for this Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase (Rattus norvegicus (rat))	BDBM22149 ((3R,5S,6E)-7-[4-(4-fluorophenyl)-2-[N-(1,2-oxazol-...) Show SMILES CC(C)c1nc(nc(-c2ccc(F)cc2)c1\C=C\[C@@H](O)C[C@@H](O)CC(O)=O)N(c1ccon1)S(C)(=O)=O |r| Show InChI InChI=1S/C24H27FN4O7S/c1-14(2)22-19(9-8-17(30)12-18(31)13-21(32)33)23(15-4-6-16(25)7-5-15)27-24(26-22)29(37(3,34)35)20-10-11-36-28-20/h4-11,14,17-18,30-31H,12-13H2,1-3H3,(H,32,33)/b9-8+/t17-,18-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	33	n/a	5.5	n/a	n/a	7.0	37
Bristol-Myers Squibb Company					Assay Description Enzyme Assay for HMG-CoA reductase was based on the conversion of isotopically labeled HMG-CoA to mevalonic acid using rat liver microsomes as enzyme...				J Med Chem 51: 2722-33 (2008) Article DOI: 10.1021/jm800001n BindingDB Entry DOI: 10.7270/Q2FT8JB2
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 5 (Homo sapiens (Human))	BDBM50430217 (CHEMBL2331989) Show SMILES CC1=Nc2ccnn2[C@@H](C1c1ncnn1C1CCCC1)c1ccc(Cl)c(Cl)c1 |r,t:1| Show InChI InChI=1S/C20H20Cl2N6/c1-12-18(20-23-11-25-27(20)14-4-2-3-5-14)19(28-17(26-12)8-9-24-28)13-6-7-15(21)16(22)10-13/h6-11,14,18-19H,2-5H2,1H3/t18?,19-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Antagonist activity at human Kv1.5 expressed in mouse L929 cells assessed as inhibition of delayed rectifier repolarization current by patch clamp as...				Bioorg Med Chem Lett 23: 1743-7 (2013) Article DOI: 10.1016/j.bmcl.2013.01.064 BindingDB Entry DOI: 10.7270/Q2QN685H
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 5 (Homo sapiens (Human))	BDBM50430216 (CHEMBL2331990) Show SMILES CC1=Nc2ccnn2[C@@H](C1c1ncnn1C1CCC1)c1ccc(Cl)c(Cl)c1 |r,t:1| Show InChI InChI=1S/C19H18Cl2N6/c1-11-17(19-22-10-24-26(19)13-3-2-4-13)18(27-16(25-11)7-8-23-27)12-5-6-14(20)15(21)9-12/h5-10,13,17-18H,2-4H2,1H3/t17?,18-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	48	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Antagonist activity at human Kv1.5 expressed in mouse L929 cells assessed as inhibition of delayed rectifier repolarization current by patch clamp as...				Bioorg Med Chem Lett 23: 1743-7 (2013) Article DOI: 10.1016/j.bmcl.2013.01.064 BindingDB Entry DOI: 10.7270/Q2QN685H
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 5 (Homo sapiens (Human))	BDBM50430219 (CHEMBL2331987) Show SMILES CC1=Nc2ccnn2[C@@H](C1c1ncnn1C1CCCCC1)c1ccc(Cl)c(Cl)c1 |r,t:1| Show InChI InChI=1S/C21H22Cl2N6/c1-13-19(21-24-12-26-28(21)15-5-3-2-4-6-15)20(29-18(27-13)9-10-25-29)14-7-8-16(22)17(23)11-14/h7-12,15,19-20H,2-6H2,1H3/t19?,20-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	59	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Antagonist activity at human Kv1.5 expressed in mouse L929 cells assessed as inhibition of delayed rectifier repolarization current by patch clamp as...				Bioorg Med Chem Lett 23: 1743-7 (2013) Article DOI: 10.1016/j.bmcl.2013.01.064 BindingDB Entry DOI: 10.7270/Q2QN685H
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 5 (Homo sapiens (Human))	BDBM50385935 (CHEMBL2042152) Show SMILES COCC1=Nc2ccnn2[C@@H](C1C(=O)N1CCC[C@H]1c1cc(C)no1)c1ccc(Cl)c(Cl)c1 |r,t:3| Show InChI InChI=1S/C23H23Cl2N5O3/c1-13-10-19(33-28-13)18-4-3-9-29(18)23(31)21-17(12-32-2)27-20-7-8-26-30(20)22(21)14-5-6-15(24)16(25)11-14/h5-8,10-11,18,21-22H,3-4,9,12H2,1-2H3/t18-,21?,22+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of human KV1.5 ion channel expressed in mouse L929 cells by whole cell patch clamp assay				J Med Chem 55: 3036-48 (2012) Article DOI: 10.1021/jm201386u BindingDB Entry DOI: 10.7270/Q2KK9CTG
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 5 (Homo sapiens (Human))	BDBM50385942 (CHEMBL2042162) Show SMILES Cc1cc(on1)[C@@H]1CCCN1C(=O)C1[C@@H](c2cc3ccccc3n2C)n2nc(cc2N=C1C)C(F)(F)F |r,c:35| Show InChI InChI=1S/C26H25F3N6O2/c1-14-11-20(37-32-14)18-9-6-10-34(18)25(36)23-15(2)30-22-13-21(26(27,28)29)31-35(22)24(23)19-12-16-7-4-5-8-17(16)33(19)3/h4-5,7-8,11-13,18,23-24H,6,9-10H2,1-3H3/t18-,23?,24+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	72	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of human KV1.5 ion channel expressed in mouse L929 cells by whole cell patch clamp assay				J Med Chem 55: 3036-48 (2012) Article DOI: 10.1021/jm201386u BindingDB Entry DOI: 10.7270/Q2KK9CTG
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 5 (Homo sapiens (Human))	BDBM50430227 (CHEMBL2332455) Show SMILES CC1=Nc2ccnn2[C@@H](C1c1ncnn1-c1ccccc1F)c1ccc(Cl)c(Cl)c1 |r,t:1| Show InChI InChI=1S/C21H15Cl2FN6/c1-12-19(21-25-11-27-29(21)17-5-3-2-4-16(17)24)20(30-18(28-12)8-9-26-30)13-6-7-14(22)15(23)10-13/h2-11,19-20H,1H3/t19?,20-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	74	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Antagonist activity at human Kv1.5 expressed in mouse L929 cells assessed as inhibition of delayed rectifier repolarization current by patch clamp as...				Bioorg Med Chem Lett 23: 1743-7 (2013) Article DOI: 10.1016/j.bmcl.2013.01.064 BindingDB Entry DOI: 10.7270/Q2QN685H
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 5 (Homo sapiens (Human))	BDBM50430225 (CHEMBL2332457) Show SMILES CC1=Nc2ccnn2[C@@H](C1c1ncnn1-c1ccc(C)cc1)c1ccc(Cl)c(Cl)c1 |r,t:1| Show InChI InChI=1S/C22H18Cl2N6/c1-13-3-6-16(7-4-13)29-22(25-12-27-29)20-14(2)28-19-9-10-26-30(19)21(20)15-5-8-17(23)18(24)11-15/h3-12,20-21H,1-2H3/t20?,21-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Antagonist activity at human Kv1.5 expressed in mouse L929 cells assessed as inhibition of delayed rectifier repolarization current by patch clamp as...				Bioorg Med Chem Lett 23: 1743-7 (2013) Article DOI: 10.1016/j.bmcl.2013.01.064 BindingDB Entry DOI: 10.7270/Q2QN685H
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 5 (Homo sapiens (Human))	BDBM50385937 (CHEMBL2042156) Show SMILES Cc1cc(on1)[C@@H]1CCCN1C(=O)C1[C@@H](c2ccc(Cl)c(Cl)c2)n2nccc2N=C1C |r,c:32| Show InChI InChI=1S/C22H21Cl2N5O2/c1-12-10-18(31-27-12)17-4-3-9-28(17)22(30)20-13(2)26-19-7-8-25-29(19)21(20)14-5-6-15(23)16(24)11-14/h5-8,10-11,17,20-21H,3-4,9H2,1-2H3/t17-,20?,21+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	83	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of human KV1.5 ion channel expressed in mouse L929 cells by whole cell patch clamp assay				J Med Chem 55: 3036-48 (2012) Article DOI: 10.1021/jm201386u BindingDB Entry DOI: 10.7270/Q2KK9CTG
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 5 (Homo sapiens (Human))	BDBM50430201 (CHEMBL2332448) Show SMILES COc1cccc(n1)-n1ncnc1C1[C@@H](c2ccc(Cl)c(Cl)c2)n2nc(cc2N=C1C)C(F)(F)F |r,c:32| Show InChI InChI=1S/C22H16Cl2F3N7O/c1-11-19(21-28-10-29-34(21)16-4-3-5-18(31-16)35-2)20(12-6-7-13(23)14(24)8-12)33-17(30-11)9-15(32-33)22(25,26)27/h3-10,19-20H,1-2H3/t19?,20-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	87	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Antagonist activity at human Kv1.5 expressed in mouse L929 cells assessed as inhibition of delayed rectifier repolarization current by patch clamp as...				Bioorg Med Chem Lett 23: 1743-7 (2013) Article DOI: 10.1016/j.bmcl.2013.01.064 BindingDB Entry DOI: 10.7270/Q2QN685H
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 5 (Homo sapiens (Human))	BDBM50430220 (CHEMBL2331986) Show SMILES CC(C)n1ncnc1C1[C@@H](c2ccc(Cl)c(Cl)c2)n2nccc2N=C1C |r,c:26| Show InChI InChI=1S/C18H18Cl2N6/c1-10(2)25-18(21-9-23-25)16-11(3)24-15-6-7-22-26(15)17(16)12-4-5-13(19)14(20)8-12/h4-10,16-17H,1-3H3/t16?,17-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	89	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Antagonist activity at human Kv1.5 expressed in mouse L929 cells assessed as inhibition of delayed rectifier repolarization current by patch clamp as...				Bioorg Med Chem Lett 23: 1743-7 (2013) Article DOI: 10.1016/j.bmcl.2013.01.064 BindingDB Entry DOI: 10.7270/Q2QN685H
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 5 (Homo sapiens (Human))	BDBM50430211 (CHEMBL2331996) Show SMILES Cc1cc2N=C(C)C([C@@H](c3ccc(Cl)c(Cl)c3)n2n1)c1ncnn1C1CCC1 |r,t:4| Show InChI InChI=1S/C20H20Cl2N6/c1-11-8-17-25-12(2)18(20-23-10-24-27(20)14-4-3-5-14)19(28(17)26-11)13-6-7-15(21)16(22)9-13/h6-10,14,18-19H,3-5H2,1-2H3/t18?,19-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	94	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Antagonist activity at human Kv1.5 expressed in mouse L929 cells assessed as inhibition of delayed rectifier repolarization current by patch clamp as...				Bioorg Med Chem Lett 23: 1743-7 (2013) Article DOI: 10.1016/j.bmcl.2013.01.064 BindingDB Entry DOI: 10.7270/Q2QN685H
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 5 (Homo sapiens (Human))	BDBM50430206 (CHEMBL2332443) Show SMILES CC1=Nc2cc(nn2[C@@H](C1c1ncnn1-c1cccc(n1)C(F)(F)F)c1ccc(Cl)c(Cl)c1)C(F)(F)F |r,t:1| Show InChI InChI=1S/C22H13Cl2F6N7/c1-10-18(20-31-9-32-37(20)16-4-2-3-14(34-16)21(25,26)27)19(11-5-6-12(23)13(24)7-11)36-17(33-10)8-15(35-36)22(28,29)30/h2-9,18-19H,1H3/t18?,19-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	96	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Antagonist activity at human Kv1.5 expressed in mouse L929 cells assessed as inhibition of delayed rectifier repolarization current by patch clamp as...				Bioorg Med Chem Lett 23: 1743-7 (2013) Article DOI: 10.1016/j.bmcl.2013.01.064 BindingDB Entry DOI: 10.7270/Q2QN685H
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 5 (Homo sapiens (Human))	BDBM50430228 (CHEMBL2332454) Show SMILES CC1=Nc2ccnn2[C@@H](C1c1ncnn1-c1cccc(F)c1)c1ccc(Cl)c(Cl)c1 |r,t:1| Show InChI InChI=1S/C21H15Cl2FN6/c1-12-19(21-25-11-27-29(21)15-4-2-3-14(24)10-15)20(30-18(28-12)7-8-26-30)13-5-6-16(22)17(23)9-13/h2-11,19-20H,1H3/t19?,20-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	97	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Antagonist activity at human Kv1.5 expressed in mouse L929 cells assessed as inhibition of delayed rectifier repolarization current by patch clamp as...				Bioorg Med Chem Lett 23: 1743-7 (2013) Article DOI: 10.1016/j.bmcl.2013.01.064 BindingDB Entry DOI: 10.7270/Q2QN685H
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM28802 (2-{[(5-{[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-...) Show SMILES COC(=O)N(CC(O)=O)Cc1cc(OCc2nc(oc2C)-c2ccc(Cl)cc2)ccc1F Show InChI InChI=1S/C22H20ClFN2O6/c1-13-19(25-21(32-13)14-3-5-16(23)6-4-14)12-31-17-7-8-18(24)15(9-17)10-26(11-20(27)28)22(29)30-2/h3-9H,10-12H2,1-2H3,(H,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	97	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Binding affinity to human GST-tagged PPAR-alpha LBD expressed in Escherichia coli BL21 (DE3) PlysS after 30 mins in presence of fluorescein ligand FL...				ACS Med Chem Lett 7: 590-4 (2016) Article DOI: 10.1021/acsmedchemlett.6b00033 BindingDB Entry DOI: 10.7270/Q2CR5W99
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM28802 (2-{[(5-{[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-...) Show SMILES COC(=O)N(CC(O)=O)Cc1cc(OCc2nc(oc2C)-c2ccc(Cl)cc2)ccc1F Show InChI InChI=1S/C22H20ClFN2O6/c1-13-19(25-21(32-13)14-3-5-16(23)6-4-14)12-31-17-7-8-18(24)15(9-17)10-26(11-20(27)28)22(29)30-2/h3-9H,10-12H2,1-2H3,(H,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	97	n/a	4	n/a	n/a	8.0	22
Bristol-Myers Squibb Company					Assay Description For hPPAR alpha, percentage inhibition was calculated relative to unlabeled GW2331, which was used as the active site-specific competitive binder. Fl...				J Pharmacol Exp Ther 327: 716-26 (2008) Article DOI: 10.1124/jpet.108.143271 BindingDB Entry DOI: 10.7270/Q2VD6WT9
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 5 (Homo sapiens (Human))	BDBM50430197 (CHEMBL2332452) Show SMILES CCOCCn1ccnc1C1[C@@H](c2ccc(Cl)c(Cl)c2)n2nc(cc2N=C1C)C(F)(F)F |r,c:28| Show InChI InChI=1S/C21H20Cl2F3N5O/c1-3-32-9-8-30-7-6-27-20(30)18-12(2)28-17-11-16(21(24,25)26)29-31(17)19(18)13-4-5-14(22)15(23)10-13/h4-7,10-11,18-19H,3,8-9H2,1-2H3/t18?,19-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	98	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Antagonist activity at human Kv1.5 expressed in mouse L929 cells assessed as inhibition of delayed rectifier repolarization current by patch clamp as...				Bioorg Med Chem Lett 23: 1743-7 (2013) Article DOI: 10.1016/j.bmcl.2013.01.064 BindingDB Entry DOI: 10.7270/Q2QN685H
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 5 (Homo sapiens (Human))	BDBM50385936 (CHEMBL2042154) Show SMILES Cc1cc2N=C(C)C([C@@H](c3ccc(Cl)c(Cl)c3)n2n1)C(=O)N1CCC[C@H]1c1ccc(F)cc1 |r,t:4| Show InChI InChI=1S/C25H23Cl2FN4O/c1-14-12-22-29-15(2)23(24(32(22)30-14)17-7-10-19(26)20(27)13-17)25(33)31-11-3-4-21(31)16-5-8-18(28)9-6-16/h5-10,12-13,21,23-24H,3-4,11H2,1-2H3/t21-,23?,24+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of human KV1.5 ion channel expressed in mouse L929 cells by whole cell patch clamp assay				J Med Chem 55: 3036-48 (2012) Article DOI: 10.1021/jm201386u BindingDB Entry DOI: 10.7270/Q2KK9CTG
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 5 (Homo sapiens (Human))	BDBM50385939 (CHEMBL2042158) Show SMILES Cc1cc(on1)[C@@H]1CCCN1C(=O)C1[C@@H](c2ccc(Cl)c(Cl)c2)n2nc(cc2N=C1C)C(F)(F)F |r,c:32| Show InChI InChI=1S/C23H20Cl2F3N5O2/c1-11-8-17(35-31-11)16-4-3-7-32(16)22(34)20-12(2)29-19-10-18(23(26,27)28)30-33(19)21(20)13-5-6-14(24)15(25)9-13/h5-6,8-10,16,20-21H,3-4,7H2,1-2H3/t16-,20?,21+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	101	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of human KV1.5 ion channel expressed in mouse L929 cells by whole cell patch clamp assay				J Med Chem 55: 3036-48 (2012) Article DOI: 10.1021/jm201386u BindingDB Entry DOI: 10.7270/Q2KK9CTG
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 5 (Homo sapiens (Human))	BDBM50430221 (CHEMBL2331985) Show SMILES CCCn1ncnc1C1[C@@H](c2ccc(Cl)c(Cl)c2)n2nccc2N=C1C |r,c:26| Show InChI InChI=1S/C18H18Cl2N6/c1-3-8-25-18(21-10-23-25)16-11(2)24-15-6-7-22-26(15)17(16)12-4-5-13(19)14(20)9-12/h4-7,9-10,16-17H,3,8H2,1-2H3/t16?,17-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	102	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Antagonist activity at human Kv1.5 expressed in mouse L929 cells assessed as inhibition of delayed rectifier repolarization current by patch clamp as...				Bioorg Med Chem Lett 23: 1743-7 (2013) Article DOI: 10.1016/j.bmcl.2013.01.064 BindingDB Entry DOI: 10.7270/Q2QN685H
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 5 (Homo sapiens (Human))	BDBM50430212 (CHEMBL2331994) Show SMILES CC1=Nc2ccnn2[C@@H](C1c1ncnn1CCCC(F)(F)F)c1ccc(Cl)c(Cl)c1 |r,t:1| Show InChI InChI=1S/C19H17Cl2F3N6/c1-11-16(18-25-10-27-29(18)8-2-6-19(22,23)24)17(30-15(28-11)5-7-26-30)12-3-4-13(20)14(21)9-12/h3-5,7,9-10,16-17H,2,6,8H2,1H3/t16?,17-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	103	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Antagonist activity at human Kv1.5 expressed in mouse L929 cells assessed as inhibition of delayed rectifier repolarization current by patch clamp as...				Bioorg Med Chem Lett 23: 1743-7 (2013) Article DOI: 10.1016/j.bmcl.2013.01.064 BindingDB Entry DOI: 10.7270/Q2QN685H
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 5 (Homo sapiens (Human))	BDBM50430229 (CHEMBL2332453) Show SMILES CC1=Nc2ccnn2[C@@H](C1c1ncnn1-c1ccc(F)cc1)c1ccc(Cl)c(Cl)c1 |r,t:1| Show InChI InChI=1S/C21H15Cl2FN6/c1-12-19(21-25-11-27-29(21)15-5-3-14(24)4-6-15)20(30-18(28-12)8-9-26-30)13-2-7-16(22)17(23)10-13/h2-11,19-20H,1H3/t19?,20-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	115	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Antagonist activity at human Kv1.5 expressed in mouse L929 cells assessed as inhibition of delayed rectifier repolarization current by patch clamp as...				Bioorg Med Chem Lett 23: 1743-7 (2013) Article DOI: 10.1016/j.bmcl.2013.01.064 BindingDB Entry DOI: 10.7270/Q2QN685H
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 5 (Homo sapiens (Human))	BDBM50430226 (CHEMBL2332456) Show SMILES COc1ccccc1-n1ncnc1C1[C@@H](c2ccc(Cl)c(Cl)c2)n2nccc2N=C1C |r,c:32| Show InChI InChI=1S/C22H18Cl2N6O/c1-13-20(22-25-12-27-29(22)17-5-3-4-6-18(17)31-2)21(30-19(28-13)9-10-26-30)14-7-8-15(23)16(24)11-14/h3-12,20-21H,1-2H3/t20?,21-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	116	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Antagonist activity at human Kv1.5 expressed in mouse L929 cells assessed as inhibition of delayed rectifier repolarization current by patch clamp as...				Bioorg Med Chem Lett 23: 1743-7 (2013) Article DOI: 10.1016/j.bmcl.2013.01.064 BindingDB Entry DOI: 10.7270/Q2QN685H
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 5 (Homo sapiens (Human))	BDBM50385931 (CHEMBL2042147) Show SMILES Cc1cc2N=C(C)C(C(c3ccc(Cl)c(Cl)c3)n2n1)C(=O)N1CCN(CC1)c1ccc(F)cc1 |t:4| Show InChI InChI=1S/C25H24Cl2FN5O/c1-15-13-22-29-16(2)23(24(33(22)30-15)17-3-8-20(26)21(27)14-17)25(34)32-11-9-31(10-12-32)19-6-4-18(28)5-7-19/h3-8,13-14,23-24H,9-12H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	124	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of human KV1.5 ion channel expressed in mouse L929 cells by whole cell patch clamp assay				J Med Chem 55: 3036-48 (2012) Article DOI: 10.1021/jm201386u BindingDB Entry DOI: 10.7270/Q2KK9CTG
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 5 (Homo sapiens (Human))	BDBM50430210 (CHEMBL2331997) Show SMILES Cc1cc2N=C(C)C([C@@H](c3ccc(Cl)c(Cl)c3)n2n1)c1ncnn1C1CCCCC1 |r,t:4| Show InChI InChI=1S/C22H24Cl2N6/c1-13-10-19-27-14(2)20(22-25-12-26-29(22)16-6-4-3-5-7-16)21(30(19)28-13)15-8-9-17(23)18(24)11-15/h8-12,16,20-21H,3-7H2,1-2H3/t20?,21-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	127	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Antagonist activity at human Kv1.5 expressed in mouse L929 cells assessed as inhibition of delayed rectifier repolarization current by patch clamp as...				Bioorg Med Chem Lett 23: 1743-7 (2013) Article DOI: 10.1016/j.bmcl.2013.01.064 BindingDB Entry DOI: 10.7270/Q2QN685H
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 5 (Homo sapiens (Human))	BDBM50430199 (CHEMBL2332450) Show SMILES CCn1ccnc1C1[C@@H](c2ccc(Cl)c(Cl)c2)n2nc(cc2N=C1C)C(F)(F)F |r,c:25| Show InChI InChI=1S/C19H16Cl2F3N5/c1-3-28-7-6-25-18(28)16-10(2)26-15-9-14(19(22,23)24)27-29(15)17(16)11-4-5-12(20)13(21)8-11/h4-9,16-17H,3H2,1-2H3/t16?,17-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	128	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Antagonist activity at human Kv1.5 expressed in mouse L929 cells assessed as inhibition of delayed rectifier repolarization current by patch clamp as...				Bioorg Med Chem Lett 23: 1743-7 (2013) Article DOI: 10.1016/j.bmcl.2013.01.064 BindingDB Entry DOI: 10.7270/Q2QN685H
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 5 (Homo sapiens (Human))	BDBM50430223 (CHEMBL2332465) Show SMILES CC1=Nc2ccnn2[C@@H](C1c1ncnn1Cc1ccccc1)c1ccc(Cl)c(Cl)c1 |r,t:1| Show InChI InChI=1S/C22H18Cl2N6/c1-14-20(22-25-13-27-29(22)12-15-5-3-2-4-6-15)21(30-19(28-14)9-10-26-30)16-7-8-17(23)18(24)11-16/h2-11,13,20-21H,12H2,1H3/t20?,21-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	135	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Antagonist activity at human Kv1.5 expressed in mouse L929 cells assessed as inhibition of delayed rectifier repolarization current by patch clamp as...				Bioorg Med Chem Lett 23: 1743-7 (2013) Article DOI: 10.1016/j.bmcl.2013.01.064 BindingDB Entry DOI: 10.7270/Q2QN685H
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50314811 (2-((4-(2-(2-(4-chlorophenyl)-5-methyloxazol-4-yl)e...) Show SMILES Cc1oc(nc1CCOc1ccc(CN(CC(O)=O)C(=O)Oc2ccc(C)cc2)cc1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C29H27ClN2O6/c1-19-3-11-25(12-4-19)38-29(35)32(18-27(33)34)17-21-5-13-24(14-6-21)36-16-15-26-20(2)37-28(31-26)22-7-9-23(30)10-8-22/h3-14H,15-18H2,1-2H3,(H,33,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	141	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Binding affinity to human His-tagged PPARgamma LBD (Q203-Y477) expressed in Escherichia coli BL21 (DE3) by fluorescence polarization assay				J Med Chem 53: 2854-64 (2010) Article DOI: 10.1021/jm9016812 BindingDB Entry DOI: 10.7270/Q2B56JW0
					More data for this Ligand-Target Pair

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