Compile Data Set for Download or QSAR

Found 152 hits with Last Name = 'bartmann' and Initial = 'w'   

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 (Homo sapiens (Human))	BDBM50013216 ((racemic)Sodium salt of7-[4-(4-Fluoro-phenyl)-1,2-...) Show SMILES CC(C)c1c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)c(cn1C(C)C)-c1ccc(F)cc1 Show InChI InChI=1S/C23H32FNO4/c1-14(2)23-20(10-9-18(26)11-19(27)12-22(28)29)21(13-25(23)15(3)4)16-5-7-17(24)8-6-16/h5-8,13-15,18-19,26-27H,9-12H2,1-4H3,(H,28,29)/p-1/t18-,19-/m1/s1	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.00200	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst AG Curated by ChEMBL					Assay Description Inhibition of cellular HMG-CoA reductase in cultures of hepatic cells (HEP G2, a human hepatoma cell line)				J Med Chem 33: 61-70 (1990) BindingDB Entry DOI: 10.7270/Q22V2F4S
					More data for this Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase (Homo sapiens (Human))	BDBM50007261 (CHEMBL102091 | Sodium; 7-[4-(4-fluoro-phenyl)-2-is...) Show SMILES CC(C)c1c(CCC(O)C[C@@H](O)CC([O-])=O)c(cn1-c1ccccc1)-c1ccc(F)cc1 Show InChI InChI=1S/C26H30FNO4/c1-17(2)26-23(13-12-21(29)14-22(30)15-25(31)32)24(18-8-10-19(27)11-9-18)16-28(26)20-6-4-3-5-7-20/h3-11,16-17,21-22,29-30H,12-15H2,1-2H3,(H,31,32)/p-1/t21?,22-/m1/s1	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	<0.0100	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst AG Curated by ChEMBL					Assay Description In vitro inhibition of HMG-CoA reductase of rat liver				J Med Chem 33: 61-70 (1990) BindingDB Entry DOI: 10.7270/Q22V2F4S
					More data for this Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase (Homo sapiens (Human))	BDBM50013210 (CHEMBL162642 | Sodium salt of 7-[4-(4-Fluoro-pheny...) Show SMILES CC(C)c1c(\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)c(cn1-c1ccccc1)-c1ccc(F)cc1 Show InChI InChI=1S/C26H28FNO4/c1-17(2)26-23(13-12-21(29)14-22(30)15-25(31)32)24(18-8-10-19(27)11-9-18)16-28(26)20-6-4-3-5-7-20/h3-13,16-17,21-22,29-30H,14-15H2,1-2H3,(H,31,32)/p-1/b13-12+/t21-,22-/m1/s1	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.0140	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst AG Curated by ChEMBL					Assay Description Inhibition of cellular HMG-CoA reductase in cultures of hepatic cells (HEP G2, a human hepatoma cell line)				J Med Chem 33: 61-70 (1990) BindingDB Entry DOI: 10.7270/Q22V2F4S
					More data for this Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase (Homo sapiens (Human))	BDBM50013217 (CHEMBL159951 | Sodium salt of7-[1-Cyclohexyl-4-(4-...) Show SMILES CC(C)c1c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)c(cn1C1CCCCC1)-c1ccc(F)cc1 Show InChI InChI=1S/C26H36FNO4/c1-17(2)26-23(13-12-21(29)14-22(30)15-25(31)32)24(18-8-10-19(27)11-9-18)16-28(26)20-6-4-3-5-7-20/h8-11,16-17,20-22,29-30H,3-7,12-15H2,1-2H3,(H,31,32)/p-1/t21-,22-/m1/s1	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.0180	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst AG Curated by ChEMBL					Assay Description Inhibition of cellular HMG-CoA reductase in cultures of hepatic cells (HEP G2, a human hepatoma cell line)				J Med Chem 33: 61-70 (1990) BindingDB Entry DOI: 10.7270/Q22V2F4S
					More data for this Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase (Homo sapiens (Human))	BDBM50013212 (CHEMBL160102 | Sodium salt of7-[4-(4-Fluoro-phenyl...) Show SMILES CC(C)c1c(\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)c(cn1C(C)C)-c1ccc(F)cc1 Show InChI InChI=1S/C23H30FNO4/c1-14(2)23-20(10-9-18(26)11-19(27)12-22(28)29)21(13-25(23)15(3)4)16-5-7-17(24)8-6-16/h5-10,13-15,18-19,26-27H,11-12H2,1-4H3,(H,28,29)/p-1/b10-9+/t18-,19-/m1/s1	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.0500	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst AG Curated by ChEMBL					Assay Description Inhibition of cellular HMG-CoA reductase in cultures of hepatic cells (HEP G2, a human hepatoma cell line)				J Med Chem 33: 61-70 (1990) BindingDB Entry DOI: 10.7270/Q22V2F4S
					More data for this Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase (Homo sapiens (Human))	BDBM50004774 ((S)-2-Methyl-butyric acid (1S,3R,7S,8S,8aR)-8-[2-(...) Show SMILES CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CCC3C[C@@H](O)CC(=O)O3)[C@@H]12 |c:13,t:11| Show InChI InChI=1S/C24H36O5/c1-5-15(3)24(27)29-21-11-14(2)10-17-7-6-16(4)20(23(17)21)9-8-19-12-18(25)13-22(26)28-19/h6-7,10,14-16,18-21,23,25H,5,8-9,11-13H2,1-4H3/t14-,15-,16-,18+,19?,20-,21-,23-/m0/s1	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.0500	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst AG Curated by ChEMBL					Assay Description Inhibition of cellular HMG-CoA reductase in cultures of hepatic cells (HEP G2, a human hepatoma cell line)				J Med Chem 33: 61-70 (1990) BindingDB Entry DOI: 10.7270/Q22V2F4S
					More data for this Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase (Rattus norvegicus (rat))	BDBM50013219 (CHEMBL2375155 | Sodium salt of7-[1-Cyclohexyl-4-(4...) Show SMILES [Na+].CC(C)c1c(\C=C\[C@H](O)C[C@@H](O)CC([O-])=O)c(cn1C1CCCCC1)-c1ccc(F)cc1 Show InChI InChI=1S/C26H34FNO4.Na/c1-17(2)26-23(13-12-21(29)14-22(30)15-25(31)32)24(18-8-10-19(27)11-9-18)16-28(26)20-6-4-3-5-7-20;/h8-13,16-17,20-22,29-30H,3-7,14-15H2,1-2H3,(H,31,32);/q;+1/p-1/b13-12+;/t21-,22+;/m0./s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.106	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst AG Curated by ChEMBL					Assay Description In vitro inhibition of HMG-CoA reductase of rat liver				J Med Chem 33: 61-70 (1990) BindingDB Entry DOI: 10.7270/Q22V2F4S
					More data for this Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase (Homo sapiens (Human))	BDBM50013219 (CHEMBL2375155 | Sodium salt of7-[1-Cyclohexyl-4-(4...) Show SMILES [Na+].CC(C)c1c(\C=C\[C@H](O)C[C@@H](O)CC([O-])=O)c(cn1C1CCCCC1)-c1ccc(F)cc1 Show InChI InChI=1S/C26H34FNO4.Na/c1-17(2)26-23(13-12-21(29)14-22(30)15-25(31)32)24(18-8-10-19(27)11-9-18)16-28(26)20-6-4-3-5-7-20;/h8-13,16-17,20-22,29-30H,3-7,14-15H2,1-2H3,(H,31,32);/q;+1/p-1/b13-12+;/t21-,22+;/m0./s1	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.106	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst AG Curated by ChEMBL					Assay Description Inhibition of cellular HMG-CoA reductase in cultures of hepatic cells (HEP G2, a human hepatoma cell line)				J Med Chem 33: 61-70 (1990) BindingDB Entry DOI: 10.7270/Q22V2F4S
					More data for this Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase (Homo sapiens (Human))	BDBM50013221 (CHEMBL163277 | Sodium salt of7-[4-(4-Fluoro-phenyl...) Show SMILES CC(C)n1cc(c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)c1C)-c1ccc(F)cc1 Show InChI InChI=1S/C21H28FNO4/c1-13(2)23-12-20(15-4-6-16(22)7-5-15)19(14(23)3)9-8-17(24)10-18(25)11-21(26)27/h4-7,12-13,17-18,24-25H,8-11H2,1-3H3,(H,26,27)/p-1/t17-,18-/m1/s1	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.270	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst AG Curated by ChEMBL					Assay Description Inhibition of cellular HMG-CoA reductase in cultures of hepatic cells (HEP G2, a human hepatoma cell line)				J Med Chem 33: 61-70 (1990) BindingDB Entry DOI: 10.7270/Q22V2F4S
					More data for this Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase (Homo sapiens (Human))	BDBM50007272 (CHEMBL102168 | Sodium; 6-[4'-fluoro-5-(4-fluoro-ph...) Show SMILES CC(C)c1cc(Sc2ccc(F)cc2)cc(-c2ccc(F)cc2)c1OCC(O)C[C@@H](O)CC([O-])=O Show InChI InChI=1S/C27H28F2O5S/c1-16(2)24-13-23(35-22-9-7-19(29)8-10-22)14-25(17-3-5-18(28)6-4-17)27(24)34-15-21(31)11-20(30)12-26(32)33/h3-10,13-14,16,20-21,30-31H,11-12,15H2,1-2H3,(H,32,33)/p-1/t20-,21?/m1/s1	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst AG Curated by ChEMBL					Assay Description Inhibition of the incorporation of sodium [14C]acetate into cholesterol in HEP G2 cells.				J Med Chem 34: 2962-83 (1991) BindingDB Entry DOI: 10.7270/Q2C829WX
					More data for this Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase (Homo sapiens (Human))	BDBM50013220 (CHEMBL161829 | Sodium salt of7-[4-(4-Fluoro-phenyl...) Show SMILES Cc1c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)c(c(C)n1-c1ccccc1)-c1ccc(F)cc1 Show InChI InChI=1S/C25H28FNO4/c1-16-23(13-12-21(28)14-22(29)15-24(30)31)25(18-8-10-19(26)11-9-18)17(2)27(16)20-6-4-3-5-7-20/h3-11,21-22,28-29H,12-15H2,1-2H3,(H,30,31)/p-1/t21-,22-/m1/s1	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.570	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst AG Curated by ChEMBL					Assay Description Inhibition of cellular HMG-CoA reductase in cultures of hepatic cells (HEP G2, a human hepatoma cell line)				J Med Chem 33: 61-70 (1990) BindingDB Entry DOI: 10.7270/Q22V2F4S
					More data for this Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase (Rattus norvegicus (rat))	BDBM50014820 ((E)-6-{2-[2-Cyclohexyl-4-(4-fluoro-phenyl)-6-isopr...) Show SMILES CC(C)c1nc(nc(-c2ccc(F)cc2)c1\C=C\[C@@H]1C[C@@H](O)CC(=O)O1)C1CCCCC1 Show InChI InChI=1S/C26H31FN2O3/c1-16(2)24-22(13-12-21-14-20(30)15-23(31)32-21)25(17-8-10-19(27)11-9-17)29-26(28-24)18-6-4-3-5-7-18/h8-13,16,18,20-21,30H,3-7,14-15H2,1-2H3/b13-12+/t20-,21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst AG Curated by ChEMBL					Assay Description In vitro inhibition of rat liver HMG-CoA reductase				J Med Chem 33: 52-60 (1990) BindingDB Entry DOI: 10.7270/Q22N5177
					More data for this Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase (Homo sapiens (Human))	BDBM50014820 ((E)-6-{2-[2-Cyclohexyl-4-(4-fluoro-phenyl)-6-isopr...) Show SMILES CC(C)c1nc(nc(-c2ccc(F)cc2)c1\C=C\[C@@H]1C[C@@H](O)CC(=O)O1)C1CCCCC1 Show InChI InChI=1S/C26H31FN2O3/c1-16(2)24-22(13-12-21-14-20(30)15-23(31)32-21)25(17-8-10-19(27)11-9-17)29-26(28-24)18-6-4-3-5-7-18/h8-13,16,18,20-21,30H,3-7,14-15H2,1-2H3/b13-12+/t20-,21-/m1/s1	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst AG Curated by ChEMBL					Assay Description Inhibition of cellular HMG-CoA reductase in cultures of human HEP G2 cells, determined by decreased incorporation of sodium [14C]-acetate into choles...				J Med Chem 33: 52-60 (1990) BindingDB Entry DOI: 10.7270/Q22N5177
					More data for this Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase (Rattus norvegicus (rat))	BDBM50007295 (CHEMBL2367823 | Sodium; 7-[4-(4-fluoro-phenyl)-2,6...) Show SMILES [Na+].CC(C)c1nc(cc(-c2ccc(F)cc2)c1\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)C(C)(C)C Show InChI InChI=1S/C25H32FNO4.Na/c1-15(2)24-20(11-10-18(28)12-19(29)13-23(30)31)21(14-22(27-24)25(3,4)5)16-6-8-17(26)9-7-16;/h6-11,14-15,18-19,28-29H,12-13H2,1-5H3,(H,30,31);/q;+1/p-1/b11-10+;/t18-,19-;/m1./s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst AG Curated by ChEMBL					Assay Description In vitro inhibition of solubilized HMG-CoA reductase in rat liver.				J Med Chem 34: 2962-83 (1991) BindingDB Entry DOI: 10.7270/Q2C829WX
					More data for this Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase (Rattus norvegicus (rat))	BDBM50014828 ((E)-6-{2-[2,4-Bis-(4-fluoro-phenyl)-6-isopropyl-py...) Show SMILES CC(C)c1nc(nc(-c2ccc(F)cc2)c1\C=C\[C@@H]1C[C@@H](O)CC(=O)O1)-c1ccc(F)cc1 Show InChI InChI=1S/C26H24F2N2O3/c1-15(2)24-22(12-11-21-13-20(31)14-23(32)33-21)25(16-3-7-18(27)8-4-16)30-26(29-24)17-5-9-19(28)10-6-17/h3-12,15,20-21,31H,13-14H2,1-2H3/b12-11+/t20-,21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst AG Curated by ChEMBL					Assay Description In vitro inhibition of rat liver HMG-CoA reductase				J Med Chem 33: 52-60 (1990) BindingDB Entry DOI: 10.7270/Q22N5177
					More data for this Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase (Homo sapiens (Human))	BDBM50014828 ((E)-6-{2-[2,4-Bis-(4-fluoro-phenyl)-6-isopropyl-py...) Show SMILES CC(C)c1nc(nc(-c2ccc(F)cc2)c1\C=C\[C@@H]1C[C@@H](O)CC(=O)O1)-c1ccc(F)cc1 Show InChI InChI=1S/C26H24F2N2O3/c1-15(2)24-22(12-11-21-13-20(31)14-23(32)33-21)25(16-3-7-18(27)8-4-16)30-26(29-24)17-5-9-19(28)10-6-17/h3-12,15,20-21,31H,13-14H2,1-2H3/b12-11+/t20-,21-/m1/s1	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst AG Curated by ChEMBL					Assay Description Inhibition of cellular HMG-CoA reductase in cultures of human HEP G2 cells, determined by decreased incorporation of sodium [14C]-acetate into choles...				J Med Chem 33: 52-60 (1990) BindingDB Entry DOI: 10.7270/Q22N5177
					More data for this Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase (Rattus norvegicus (rat))	BDBM50014840 ((E)-6-{2-[4-(4-Fluoro-phenyl)-2,6-diisopropyl-pyri...) Show SMILES CC(C)c1nc(cc(-c2ccc(F)cc2)c1\C=C\[C@@H]1C[C@@H](O)CC(=O)O1)C(C)(C)C Show InChI InChI=1S/C25H30FNO3/c1-15(2)24-20(11-10-19-12-18(28)13-23(29)30-19)21(14-22(27-24)25(3,4)5)16-6-8-17(26)9-7-16/h6-11,14-15,18-19,28H,12-13H2,1-5H3/b11-10+/t18-,19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst AG Curated by ChEMBL					Assay Description In vitro inhibition of rat liver HMG-CoA reductase				J Med Chem 33: 52-60 (1990) BindingDB Entry DOI: 10.7270/Q22N5177
					More data for this Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase (Homo sapiens (Human))	BDBM50007303 (6-(4'-Fluoro-3,5-diisopropyl-biphenyl-2-yloxymethy...) Show SMILES CC(C)c1cc(C(C)C)c(OCC2C[C@@H](O)CC(=O)O2)c(c1)-c1ccc(F)cc1 Show InChI InChI=1S/C24H29FO4/c1-14(2)17-9-21(15(3)4)24(22(10-17)16-5-7-18(25)8-6-16)28-13-20-11-19(26)12-23(27)29-20/h5-10,14-15,19-20,26H,11-13H2,1-4H3/t19-,20?/m1/s1	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst AG Curated by ChEMBL					Assay Description Inhibition of the incorporation of sodium [14C]acetate into cholesterol in HEP G2 cells.				J Med Chem 34: 2962-83 (1991) BindingDB Entry DOI: 10.7270/Q2C829WX
					More data for this Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase (Homo sapiens (Human))	BDBM50014826 ((E)-6-{2-[4,6-Bis-(4-fluoro-phenyl)-2-isopropyl-py...) Show SMILES CC(C)c1nc(cc(-c2ccc(F)cc2)c1\C=C\[C@@H]1C[C@@H](O)CC(=O)O1)-c1ccc(F)cc1 Show InChI InChI=1S/C27H25F2NO3/c1-16(2)27-23(12-11-22-13-21(31)14-26(32)33-22)24(17-3-7-19(28)8-4-17)15-25(30-27)18-5-9-20(29)10-6-18/h3-12,15-16,21-22,31H,13-14H2,1-2H3/b12-11+/t21-,22-/m1/s1	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst AG Curated by ChEMBL					Assay Description Inhibition of cellular HMG-CoA reductase in cultures of human HEP G2 cells, determined by decreased incorporation of sodium [14C]-acetate into choles...				J Med Chem 33: 52-60 (1990) BindingDB Entry DOI: 10.7270/Q22N5177
					More data for this Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase (Rattus norvegicus (rat))	BDBM50014826 ((E)-6-{2-[4,6-Bis-(4-fluoro-phenyl)-2-isopropyl-py...) Show SMILES CC(C)c1nc(cc(-c2ccc(F)cc2)c1\C=C\[C@@H]1C[C@@H](O)CC(=O)O1)-c1ccc(F)cc1 Show InChI InChI=1S/C27H25F2NO3/c1-16(2)27-23(12-11-22-13-21(31)14-26(32)33-22)24(17-3-7-19(28)8-4-17)15-25(30-27)18-5-9-20(29)10-6-18/h3-12,15-16,21-22,31H,13-14H2,1-2H3/b12-11+/t21-,22-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst AG Curated by ChEMBL					Assay Description In vitro inhibition of rat liver HMG-CoA reductase				J Med Chem 33: 52-60 (1990) BindingDB Entry DOI: 10.7270/Q22N5177
					More data for this Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase (Rattus norvegicus (rat))	BDBM50368147 ((+)-(3R,5S)-fluvastatin | (3R,5S)-fluvastatin | (3...) Show SMILES CC(C)n1c(\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)c(-c2ccc(F)cc2)c2ccccc12 |r| Show InChI InChI=1S/C24H26FNO4/c1-15(2)26-21-6-4-3-5-20(21)24(16-7-9-17(25)10-8-16)22(26)12-11-18(27)13-19(28)14-23(29)30/h3-12,15,18-19,27-28H,13-14H2,1-2H3,(H,29,30)/p-1/b12-11+/t18-,19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Similars	PDB PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst AG Curated by ChEMBL					Assay Description In vitro inhibition of solubilized HMG-CoA reductase in rat liver.				J Med Chem 34: 2962-83 (1991) BindingDB Entry DOI: 10.7270/Q2C829WX
					More data for this Ligand-Target Pair				3D Structure (crystal)
3-hydroxy-3-methylglutaryl-coenzyme A reductase (Rattus norvegicus (rat))	BDBM50007255 (CHEMBL100165 | Sodium; 6-(4'-fluoro-3,5-diisopropy...) Show SMILES CC(C)c1cc(C(C)C)c(OCC(O)C[C@@H](O)CC([O-])=O)c(c1)-c1ccc(F)cc1 Show InChI InChI=1S/C24H31FO5/c1-14(2)17-9-21(15(3)4)24(22(10-17)16-5-7-18(25)8-6-16)30-13-20(27)11-19(26)12-23(28)29/h5-10,14-15,19-20,26-27H,11-13H2,1-4H3,(H,28,29)/p-1/t19-,20?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.70	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst AG Curated by ChEMBL					Assay Description In vitro inhibition of HMG-CoA reductase in solubilized rat liver.				J Med Chem 34: 2962-83 (1991) BindingDB Entry DOI: 10.7270/Q2C829WX
					More data for this Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase (Rattus norvegicus (rat))	BDBM50014819 ((E)-6-{2-[6-tert-Butyl-4-(4-fluoro-phenyl)-2-isopr...) Show SMILES CC(C)c1cc(-c2ccc(F)cc2)c(\C=C\[C@@H]2C[C@@H](O)CC(=O)O2)c(n1)C(C)C Show InChI InChI=1S/C24H28FNO3/c1-14(2)22-13-21(16-5-7-17(25)8-6-16)20(24(26-22)15(3)4)10-9-19-11-18(27)12-23(28)29-19/h5-10,13-15,18-19,27H,11-12H2,1-4H3/b10-9+/t18-,19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst AG Curated by ChEMBL					Assay Description In vitro inhibition of rat liver HMG-CoA reductase				J Med Chem 33: 52-60 (1990) BindingDB Entry DOI: 10.7270/Q22N5177
					More data for this Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase (Rattus norvegicus (rat))	BDBM50013211 ((racemic)Sodium salt of7-[4-(4-Fluoro-phenyl)-2-is...) Show SMILES CC(C)c1c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)c(cn1-c1ccccc1)-c1ccc(F)cc1 Show InChI InChI=1S/C26H30FNO4/c1-17(2)26-23(13-12-21(29)14-22(30)15-25(31)32)24(18-8-10-19(27)11-9-18)16-28(26)20-6-4-3-5-7-20/h3-11,16-17,21-22,29-30H,12-15H2,1-2H3,(H,31,32)/p-1/t21-,22-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst AG Curated by ChEMBL					Assay Description In vitro inhibition of HMG-CoA reductase of rat liver				J Med Chem 33: 61-70 (1990) BindingDB Entry DOI: 10.7270/Q22V2F4S
					More data for this Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase (Rattus norvegicus (rat))	BDBM50014816 (6-{2-[2-Ethyl-4-(4-fluoro-phenyl)-6-phenyl-pyridin...) Show SMILES CCc1nc(cc(-c2ccc(F)cc2)c1CCC1C[C@@H](O)CC(=O)O1)-c1ccccc1 Show InChI InChI=1S/C26H26FNO3/c1-2-24-22(13-12-21-14-20(29)15-26(30)31-21)23(17-8-10-19(27)11-9-17)16-25(28-24)18-6-4-3-5-7-18/h3-11,16,20-21,29H,2,12-15H2,1H3/t20-,21?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst AG Curated by ChEMBL					Assay Description In vitro inhibition of rat liver HMG-CoA reductase				J Med Chem 33: 52-60 (1990) BindingDB Entry DOI: 10.7270/Q22N5177
					More data for this Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase (Rattus norvegicus (rat))	BDBM50007261 (CHEMBL102091 | Sodium; 7-[4-(4-fluoro-phenyl)-2-is...) Show SMILES CC(C)c1c(CCC(O)C[C@@H](O)CC([O-])=O)c(cn1-c1ccccc1)-c1ccc(F)cc1 Show InChI InChI=1S/C26H30FNO4/c1-17(2)26-23(13-12-21(29)14-22(30)15-25(31)32)24(18-8-10-19(27)11-9-18)16-28(26)20-6-4-3-5-7-20/h3-11,16-17,21-22,29-30H,12-15H2,1-2H3,(H,31,32)/p-1/t21?,22-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst AG Curated by ChEMBL					Assay Description In vitro inhibition of solubilized HMG-CoA reductase in rat liver.				J Med Chem 34: 2962-83 (1991) BindingDB Entry DOI: 10.7270/Q2C829WX
					More data for this Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase (Rattus norvegicus (rat))	BDBM50007281 (CHEMBL2367819 | Sodium; 7-[6-tert-butyl-4-(4-fluor...) Show SMILES [Na+].CC(C)c1cc(-c2ccc(F)cc2)c(\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)c(n1)C(C)C Show InChI InChI=1S/C24H30FNO4.Na/c1-14(2)22-13-21(16-5-7-17(25)8-6-16)20(24(26-22)15(3)4)10-9-18(27)11-19(28)12-23(29)30;/h5-10,13-15,18-19,27-28H,11-12H2,1-4H3,(H,29,30);/q;+1/p-1/b10-9+;/t18-,19-;/m1./s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst AG Curated by ChEMBL					Assay Description In vitro inhibition of solubilized HMG-CoA reductase in rat liver.				J Med Chem 34: 2962-83 (1991) BindingDB Entry DOI: 10.7270/Q2C829WX
					More data for this Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase (Rattus norvegicus (rat))	BDBM50007293 (CHEMBL2367826 | Sodium; 7-[2-(4-fluoro-phenyl)-4-i...) Show SMILES [Na+].CC(C)c1cc(nc(-c2ccc(F)cc2)c1\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)-c1ccccc1 Show InChI InChI=1S/C27H28FNO4.Na/c1-17(2)24-16-25(18-6-4-3-5-7-18)29-27(19-8-10-20(28)11-9-19)23(24)13-12-21(30)14-22(31)15-26(32)33;/h3-13,16-17,21-22,30-31H,14-15H2,1-2H3,(H,32,33);/q;+1/p-1/b13-12+;/t21-,22-;/m1./s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst AG Curated by ChEMBL					Assay Description In vitro inhibition of solubilized HMG-CoA reductase in rat liver.				J Med Chem 34: 2962-83 (1991) BindingDB Entry DOI: 10.7270/Q2C829WX
					More data for this Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase (Rattus norvegicus (rat))	BDBM50014841 ((E)-6-{2-[2-tert-Butyl-4-(4-fluoro-phenyl)-6-pheny...) Show SMILES CC(C)c1nc(cc(-c2ccc(F)cc2)c1\C=C\[C@@H]1C[C@@H](O)CC(=O)O1)-c1ccccc1 Show InChI InChI=1S/C27H26FNO3/c1-17(2)27-23(13-12-22-14-21(30)15-26(31)32-22)24(18-8-10-20(28)11-9-18)16-25(29-27)19-6-4-3-5-7-19/h3-13,16-17,21-22,30H,14-15H2,1-2H3/b13-12+/t21-,22-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst AG Curated by ChEMBL					Assay Description In vitro inhibition of rat liver HMG-CoA reductase				J Med Chem 33: 52-60 (1990) BindingDB Entry DOI: 10.7270/Q22N5177
					More data for this Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase (Rattus norvegicus (rat))	BDBM50007277 (CHEMBL177545 | Sodium;6-(4'-Fluoro-6-hydroxy-2,4,5...) Show SMILES CC(C)c1c(O)c(-c2ccc(F)cc2)c(C(C)C)c(OC[C@@H](O)C[C@@H](O)CC([O-])=O)c1C(C)C Show InChI InChI=1S/C27H37FO6/c1-14(2)22-23(15(3)4)27(34-13-20(30)11-19(29)12-21(31)32)24(16(5)6)25(26(22)33)17-7-9-18(28)10-8-17/h7-10,14-16,19-20,29-30,33H,11-13H2,1-6H3,(H,31,32)/p-1/t19-,20+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst AG Curated by ChEMBL					Assay Description In vitro inhibition of HMG-CoA reductase in solubilized rat liver.				J Med Chem 34: 2962-83 (1991) BindingDB Entry DOI: 10.7270/Q2C829WX
					More data for this Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase (Rattus norvegicus (rat))	BDBM50014831 ((E)-6-{2-[6-Cyclohexyl-4-(4-fluoro-phenyl)-2-isopr...) Show SMILES CC(C)c1nc(cc(-c2ccc(F)cc2)c1\C=C\[C@@H]1C[C@@H](O)CC(=O)O1)C1CCCCC1 Show InChI InChI=1S/C27H32FNO3/c1-17(2)27-23(13-12-22-14-21(30)15-26(31)32-22)24(18-8-10-20(28)11-9-18)16-25(29-27)19-6-4-3-5-7-19/h8-13,16-17,19,21-22,30H,3-7,14-15H2,1-2H3/b13-12+/t21-,22-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst AG Curated by ChEMBL					Assay Description In vitro inhibition of rat liver HMG-CoA reductase				J Med Chem 33: 52-60 (1990) BindingDB Entry DOI: 10.7270/Q22N5177
					More data for this Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase (Homo sapiens (Human))	BDBM50014831 ((E)-6-{2-[6-Cyclohexyl-4-(4-fluoro-phenyl)-2-isopr...) Show SMILES CC(C)c1nc(cc(-c2ccc(F)cc2)c1\C=C\[C@@H]1C[C@@H](O)CC(=O)O1)C1CCCCC1 Show InChI InChI=1S/C27H32FNO3/c1-17(2)27-23(13-12-22-14-21(30)15-26(31)32-22)24(18-8-10-20(28)11-9-18)16-25(29-27)19-6-4-3-5-7-19/h8-13,16-17,19,21-22,30H,3-7,14-15H2,1-2H3/b13-12+/t21-,22-/m1/s1	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst AG Curated by ChEMBL					Assay Description Inhibition of cellular HMG-CoA reductase in cultures of human HEP G2 cells, determined by decreased incorporation of sodium [14C]-acetate into choles...				J Med Chem 33: 52-60 (1990) BindingDB Entry DOI: 10.7270/Q22N5177
					More data for this Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase (Homo sapiens (Human))	BDBM50007277 (CHEMBL177545 | Sodium;6-(4'-Fluoro-6-hydroxy-2,4,5...) Show SMILES CC(C)c1c(O)c(-c2ccc(F)cc2)c(C(C)C)c(OC[C@@H](O)C[C@@H](O)CC([O-])=O)c1C(C)C Show InChI InChI=1S/C27H37FO6/c1-14(2)22-23(15(3)4)27(34-13-20(30)11-19(29)12-21(31)32)24(16(5)6)25(26(22)33)17-7-9-18(28)10-8-17/h7-10,14-16,19-20,29-30,33H,11-13H2,1-6H3,(H,31,32)/p-1/t19-,20+/m1/s1	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.10	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst AG Curated by ChEMBL					Assay Description Inhibition of the incorporation of sodium [14C]acetate into cholesterol in HEP G2 cells.				J Med Chem 34: 2962-83 (1991) BindingDB Entry DOI: 10.7270/Q2C829WX
					More data for this Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase (Rattus norvegicus (rat))	BDBM50007297 (CHEMBL2367825 | Sodium; 7-(3,5-dichloro-4'-fluoro-...) Show SMILES [Na+].O[C@H](C[C@H](O)\C=C\c1c(Cl)cc(Cl)cc1-c1ccc(F)cc1)CC([O-])=O Show InChI InChI=1S/C19H17Cl2FO4.Na/c20-12-7-17(11-1-3-13(22)4-2-11)16(18(21)8-12)6-5-14(23)9-15(24)10-19(25)26;/h1-8,14-15,23-24H,9-10H2,(H,25,26);/q;+1/p-1/b6-5+;/t14-,15-;/m1./s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.5	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst AG Curated by ChEMBL					Assay Description In vitro inhibition of solubilized HMG-CoA reductase in rat liver.				J Med Chem 34: 2962-83 (1991) BindingDB Entry DOI: 10.7270/Q2C829WX
					More data for this Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase (Homo sapiens (Human))	BDBM50014837 ((E)-6-{2-[4-(4-Fluoro-phenyl)-2,6-diisopropyl-pyri...) Show SMILES CC(C)c1nc(C(C)C)c(\C=C\[C@@H]2C[C@@H](O)CC(=O)O2)c(n1)-c1ccc(F)cc1 Show InChI InChI=1S/C23H27FN2O3/c1-13(2)21-19(10-9-18-11-17(27)12-20(28)29-18)22(26-23(25-21)14(3)4)15-5-7-16(24)8-6-15/h5-10,13-14,17-18,27H,11-12H2,1-4H3/b10-9+/t17-,18-/m1/s1	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.80	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst AG Curated by ChEMBL					Assay Description Inhibition of cellular HMG-CoA reductase in cultures of human HEP G2 cells, determined by decreased incorporation of sodium [14C]-acetate into choles...				J Med Chem 33: 52-60 (1990) BindingDB Entry DOI: 10.7270/Q22N5177
					More data for this Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase (Rattus norvegicus (rat))	BDBM50014837 ((E)-6-{2-[4-(4-Fluoro-phenyl)-2,6-diisopropyl-pyri...) Show SMILES CC(C)c1nc(C(C)C)c(\C=C\[C@@H]2C[C@@H](O)CC(=O)O2)c(n1)-c1ccc(F)cc1 Show InChI InChI=1S/C23H27FN2O3/c1-13(2)21-19(10-9-18-11-17(27)12-20(28)29-18)22(26-23(25-21)14(3)4)15-5-7-16(24)8-6-15/h5-10,13-14,17-18,27H,11-12H2,1-4H3/b10-9+/t17-,18-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.80	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst AG Curated by ChEMBL					Assay Description In vitro inhibition of rat liver HMG-CoA reductase				J Med Chem 33: 52-60 (1990) BindingDB Entry DOI: 10.7270/Q22N5177
					More data for this Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase (Homo sapiens (Human))	BDBM50014821 ((E)-6-{2-[4-(4-Fluoro-phenyl)-6-isopropyl-2-phenyl...) Show SMILES CC(C)c1nc(nc(-c2ccc(F)cc2)c1\C=C\[C@@H]1C[C@@H](O)CC(=O)O1)-c1ccccc1 Show InChI InChI=1S/C26H25FN2O3/c1-16(2)24-22(13-12-21-14-20(30)15-23(31)32-21)25(17-8-10-19(27)11-9-17)29-26(28-24)18-6-4-3-5-7-18/h3-13,16,20-21,30H,14-15H2,1-2H3/b13-12+/t20-,21-/m1/s1	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst AG Curated by ChEMBL					Assay Description Inhibition of cellular HMG-CoA reductase in cultures of human HEP G2 cells, determined by decreased incorporation of sodium [14C]-acetate into choles...				J Med Chem 33: 52-60 (1990) BindingDB Entry DOI: 10.7270/Q22N5177
					More data for this Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase (Rattus norvegicus (rat))	BDBM50014821 ((E)-6-{2-[4-(4-Fluoro-phenyl)-6-isopropyl-2-phenyl...) Show SMILES CC(C)c1nc(nc(-c2ccc(F)cc2)c1\C=C\[C@@H]1C[C@@H](O)CC(=O)O1)-c1ccccc1 Show InChI InChI=1S/C26H25FN2O3/c1-16(2)24-22(13-12-21-14-20(30)15-23(31)32-21)25(17-8-10-19(27)11-9-17)29-26(28-24)18-6-4-3-5-7-18/h3-13,16,20-21,30H,14-15H2,1-2H3/b13-12+/t20-,21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst AG Curated by ChEMBL					Assay Description In vitro inhibition of rat liver HMG-CoA reductase				J Med Chem 33: 52-60 (1990) BindingDB Entry DOI: 10.7270/Q22N5177
					More data for this Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase (Homo sapiens (Human))	BDBM50013222 (CHEMBL159103 | Sodium salt of7-[4-(4-Fluoro-phenyl...) Show SMILES Cc1c(\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)c(c(C)n1-c1ccccc1)-c1ccc(F)cc1 Show InChI InChI=1S/C25H26FNO4/c1-16-23(13-12-21(28)14-22(29)15-24(30)31)25(18-8-10-19(26)11-9-18)17(2)27(16)20-6-4-3-5-7-20/h3-13,21-22,28-29H,14-15H2,1-2H3,(H,30,31)/p-1/b13-12+/t21-,22-/m1/s1	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst AG Curated by ChEMBL					Assay Description Inhibition of cellular HMG-CoA reductase in cultures of hepatic cells (HEP G2, a human hepatoma cell line)				J Med Chem 33: 61-70 (1990) BindingDB Entry DOI: 10.7270/Q22V2F4S
					More data for this Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase (Rattus norvegicus (rat))	BDBM50013214 ((racemic)Sodium salt of7-[4-(4-Fluoro-phenyl)-2-is...) Show SMILES CC(C)c1c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)c(c(C)n1-c1ccccc1)-c1ccc(F)cc1 Show InChI InChI=1S/C27H32FNO4/c1-17(2)27-24(14-13-22(30)15-23(31)16-25(32)33)26(19-9-11-20(28)12-10-19)18(3)29(27)21-7-5-4-6-8-21/h4-12,17,22-23,30-31H,13-16H2,1-3H3,(H,32,33)/p-1/t22-,23-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst AG Curated by ChEMBL					Assay Description In vitro inhibition of HMG-CoA reductase of rat liver				J Med Chem 33: 61-70 (1990) BindingDB Entry DOI: 10.7270/Q22V2F4S
					More data for this Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase (Homo sapiens (Human))	BDBM50014841 ((E)-6-{2-[2-tert-Butyl-4-(4-fluoro-phenyl)-6-pheny...) Show SMILES CC(C)c1nc(cc(-c2ccc(F)cc2)c1\C=C\[C@@H]1C[C@@H](O)CC(=O)O1)-c1ccccc1 Show InChI InChI=1S/C27H26FNO3/c1-17(2)27-23(13-12-22-14-21(30)15-26(31)32-22)24(18-8-10-20(28)11-9-18)16-25(29-27)19-6-4-3-5-7-19/h3-13,16-17,21-22,30H,14-15H2,1-2H3/b13-12+/t21-,22-/m1/s1	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst AG Curated by ChEMBL					Assay Description Inhibition of cellular HMG-CoA reductase in cultures of human HEP G2 cells, determined by decreased incorporation of sodium [14C]-acetate into choles...				J Med Chem 33: 52-60 (1990) BindingDB Entry DOI: 10.7270/Q22N5177
					More data for this Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase (Rattus norvegicus (rat))	BDBM50014835 ((E)-6-{2-[6-(2,5-Dimethyl-phenyl)-4-(4-fluoro-phen...) Show SMILES CC(C)c1nc(cc(-c2ccc(F)cc2)c1\C=C\[C@@H]1C[C@@H](O)CC(=O)O1)-c1cc(C)ccc1C Show InChI InChI=1S/C29H30FNO3/c1-17(2)29-24(12-11-23-14-22(32)15-28(33)34-23)26(20-7-9-21(30)10-8-20)16-27(31-29)25-13-18(3)5-6-19(25)4/h5-13,16-17,22-23,32H,14-15H2,1-4H3/b12-11+/t22-,23-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst AG Curated by ChEMBL					Assay Description In vitro inhibition of rat liver HMG-CoA reductase				J Med Chem 33: 52-60 (1990) BindingDB Entry DOI: 10.7270/Q22N5177
					More data for this Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase (Rattus norvegicus (rat))	BDBM50013214 ((racemic)Sodium salt of7-[4-(4-Fluoro-phenyl)-2-is...) Show SMILES CC(C)c1c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)c(c(C)n1-c1ccccc1)-c1ccc(F)cc1 Show InChI InChI=1S/C27H32FNO4/c1-17(2)27-24(14-13-22(30)15-23(31)16-25(32)33)26(19-9-11-20(28)12-10-19)18(3)29(27)21-7-5-4-6-8-21/h4-12,17,22-23,30-31H,13-16H2,1-3H3,(H,32,33)/p-1/t22-,23-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst AG Curated by ChEMBL					Assay Description In vitro inhibition of HMG-CoA reductase of rat liver				J Med Chem 33: 61-70 (1990) BindingDB Entry DOI: 10.7270/Q22V2F4S
					More data for this Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase (Homo sapiens (Human))	BDBM50014835 ((E)-6-{2-[6-(2,5-Dimethyl-phenyl)-4-(4-fluoro-phen...) Show SMILES CC(C)c1nc(cc(-c2ccc(F)cc2)c1\C=C\[C@@H]1C[C@@H](O)CC(=O)O1)-c1cc(C)ccc1C Show InChI InChI=1S/C29H30FNO3/c1-17(2)29-24(12-11-23-14-22(32)15-28(33)34-23)26(20-7-9-21(30)10-8-20)16-27(31-29)25-13-18(3)5-6-19(25)4/h5-13,16-17,22-23,32H,14-15H2,1-4H3/b12-11+/t22-,23-/m1/s1	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst AG Curated by ChEMBL					Assay Description Inhibition of cellular HMG-CoA reductase in cultures of human HEP G2 cells, determined by decreased incorporation of sodium [14C]-acetate into choles...				J Med Chem 33: 52-60 (1990) BindingDB Entry DOI: 10.7270/Q22N5177
					More data for this Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase (Homo sapiens (Human))	BDBM50007267 (CHEMBL321768 | Sodium; 6-(4'-fluoro-5-hydroxy-3,4,...) Show SMILES CC(C)c1c(O)c(C(C)C)c(-c2ccc(F)cc2)c(OCC(O)C[C@@H](O)CC([O-])=O)c1C(C)C Show InChI InChI=1S/C27H37FO6/c1-14(2)22-24(16(5)6)27(34-13-20(30)11-19(29)12-21(31)32)25(23(15(3)4)26(22)33)17-7-9-18(28)10-8-17/h7-10,14-16,19-20,29-30,33H,11-13H2,1-6H3,(H,31,32)/p-1/t19-,20?/m1/s1	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.60	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst AG Curated by ChEMBL					Assay Description Inhibition of the incorporation of sodium [14C]acetate into cholesterol in HEP G2 cells.				J Med Chem 34: 2962-83 (1991) BindingDB Entry DOI: 10.7270/Q2C829WX
					More data for this Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase (Rattus norvegicus (rat))	BDBM50007261 (CHEMBL102091 | Sodium; 7-[4-(4-fluoro-phenyl)-2-is...) Show SMILES CC(C)c1c(CCC(O)C[C@@H](O)CC([O-])=O)c(cn1-c1ccccc1)-c1ccc(F)cc1 Show InChI InChI=1S/C26H30FNO4/c1-17(2)26-23(13-12-21(29)14-22(30)15-25(31)32)24(18-8-10-19(27)11-9-18)16-28(26)20-6-4-3-5-7-20/h3-11,16-17,21-22,29-30H,12-15H2,1-2H3,(H,31,32)/p-1/t21?,22-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst AG Curated by ChEMBL					Assay Description In vitro inhibition of HMG-CoA reductase of rat liver				J Med Chem 33: 61-70 (1990) BindingDB Entry DOI: 10.7270/Q22V2F4S
					More data for this Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase (Homo sapiens (Human))	BDBM50013218 (CHEMBL345375 | Sodium salt of7-[4-(4-Fluoro-phenyl...) Show SMILES CC(C)n1cc(c(\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)c1C)-c1ccc(F)cc1 Show InChI InChI=1S/C21H26FNO4/c1-13(2)23-12-20(15-4-6-16(22)7-5-15)19(14(23)3)9-8-17(24)10-18(25)11-21(26)27/h4-9,12-13,17-18,24-25H,10-11H2,1-3H3,(H,26,27)/p-1/b9-8+/t17-,18-/m1/s1	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst AG Curated by ChEMBL					Assay Description Inhibition of cellular HMG-CoA reductase in cultures of hepatic cells (HEP G2, a human hepatoma cell line)				J Med Chem 33: 61-70 (1990) BindingDB Entry DOI: 10.7270/Q22V2F4S
					More data for this Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase (Rattus norvegicus (rat))	BDBM50007272 (CHEMBL102168 | Sodium; 6-[4'-fluoro-5-(4-fluoro-ph...) Show SMILES CC(C)c1cc(Sc2ccc(F)cc2)cc(-c2ccc(F)cc2)c1OCC(O)C[C@@H](O)CC([O-])=O Show InChI InChI=1S/C27H28F2O5S/c1-16(2)24-13-23(35-22-9-7-19(29)8-10-22)14-25(17-3-5-18(28)6-4-17)27(24)34-15-21(31)11-20(30)12-26(32)33/h3-10,13-14,16,20-21,30-31H,11-12,15H2,1-2H3,(H,32,33)/p-1/t20-,21?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst AG Curated by ChEMBL					Assay Description In vitro inhibition of HMG-CoA reductase in solubilized rat liver.				J Med Chem 34: 2962-83 (1991) BindingDB Entry DOI: 10.7270/Q2C829WX
					More data for this Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase (Rattus norvegicus (rat))	BDBM50013213 (CHEMBL350103 | Sodium salt of7-[4-(4-Fluoro-phenyl...) Show SMILES CC(C)c1c(\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)c(c(C)n1-c1ccccc1)-c1ccc(F)cc1 Show InChI InChI=1S/C27H30FNO4/c1-17(2)27-24(14-13-22(30)15-23(31)16-25(32)33)26(19-9-11-20(28)12-10-19)18(3)29(27)21-7-5-4-6-8-21/h4-14,17,22-23,30-31H,15-16H2,1-3H3,(H,32,33)/p-1/b14-13+/t22-,23-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst AG Curated by ChEMBL					Assay Description In vitro inhibition of HMG-CoA reductase of rat liver				J Med Chem 33: 61-70 (1990) BindingDB Entry DOI: 10.7270/Q22V2F4S
					More data for this Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase (Rattus norvegicus (rat))	BDBM50013210 (CHEMBL162642 | Sodium salt of 7-[4-(4-Fluoro-pheny...) Show SMILES CC(C)c1c(\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)c(cn1-c1ccccc1)-c1ccc(F)cc1 Show InChI InChI=1S/C26H28FNO4/c1-17(2)26-23(13-12-21(29)14-22(30)15-25(31)32)24(18-8-10-19(27)11-9-18)16-28(26)20-6-4-3-5-7-20/h3-13,16-17,21-22,29-30H,14-15H2,1-2H3,(H,31,32)/p-1/b13-12+/t21-,22-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst AG Curated by ChEMBL					Assay Description In vitro inhibition of HMG-CoA reductase of rat liver				J Med Chem 33: 61-70 (1990) BindingDB Entry DOI: 10.7270/Q22V2F4S
					More data for this Ligand-Target Pair

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