BindingDB PrimarySearch

BDBM50004774 (S)-2-Methyl-butyric acid (1S,3R,7S,8S,8aR)-8-[2-((R)-4-hydroxy-6-oxo-tetrahydro-pyran-2-yl)-ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydro-naphthalen-1-yl ester::(lovastatin)2-Methyl-butyric acid 8-[2-(4-hydroxy-6-oxo-tetrahydro-pyran-2-yl)-ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydro-naphthalen-1-yl ester::2-Methyl-butyric acid 8-[2-(4-hydroxy-6-oxo-tetrahydro-pyran-2-yl)-ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydro-naphthalen-1-yl ester::2-Methyl-butyric acid 8-[2-(4-hydroxy-6-oxo-tetrahydro-pyran-2-yl)-ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydro-naphthalen-1-yl ester(mevinolin)::CHEMBL503

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

InChI Key: InChIKey=PCZOHLXUXFIOCF-KVVRZSONSA-N

Data: 1 KI 13 IC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 14 hits for monomerid = 50004774
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
3-hydroxy-3-methylglutaryl-coenzyme A reductase (HMG-CoA) (Homo sapiens (Human))	BDBM50004774 ((S)-2-Methyl-butyric acid (1S,3R,7S,8S,8aR)-8-[2-(...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid UniChem Patents Similars	Article	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human HMGCoA reductase				J Nat Prod 52: 153-161 (1989) Article DOI: 10.1021/np50061a020 BindingDB Entry DOI: 10.7270/Q28052MW
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
HMG-CoA reductase (Rattus norvegicus (rat))	BDBM50004774 ((S)-2-Methyl-butyric acid (1S,3R,7S,8S,8aR)-8-[2-(...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	8	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
Hoechst AG Curated by ChEMBL					More data for this Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase (HMG-CoA) (Homo sapiens (Human))	BDBM50004774 ((S)-2-Methyl-butyric acid (1S,3R,7S,8S,8aR)-8-[2-(...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL 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
Hoechst AG Curated by ChEMBL					More data for this Ligand-Target Pair
HMG-CoA reductase (Rattus norvegicus (rat))	BDBM50004774 ((S)-2-Methyl-butyric acid (1S,3R,7S,8S,8aR)-8-[2-(...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid UniChem Patents 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 Tested for inhibition of rat liver microsomal HMG-CoA reductase				J Med Chem 37: 3240-6 (1994) BindingDB Entry DOI: 10.7270/Q25H7F9D
Hoechst AG Curated by ChEMBL					More data for this Ligand-Target Pair
HMG-CoA reductase (Rattus norvegicus (rat))	BDBM50004774 ((S)-2-Methyl-butyric acid (1S,3R,7S,8S,8aR)-8-[2-(...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Group Research Ltd. Curated by ChEMBL					Assay Description Inhibition of rat liver microsomal HMG-CoA reductase				J Med Chem 36: 3658-62 (1994) BindingDB Entry DOI: 10.7270/Q2SJ1JP7
Glaxo Group Research Ltd. Curated by ChEMBL					More data for this Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase (Oryctolagus cuniculus)	BDBM50004774 ((S)-2-Methyl-butyric acid (1S,3R,7S,8S,8aR)-8-[2-(...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.68E+4	n/a	n/a	n/a	n/a	n/a	n/a
Università di Bologna Curated by ChEMBL					Assay Description Inhibition of ACAT in Albino rabbit intestinal mucosa				Bioorg Med Chem Lett 17: 1946-50 (2007) Article DOI: 10.1016/j.bmcl.2007.01.027 BindingDB Entry DOI: 10.7270/Q23J3CMT
Università di Bologna Curated by ChEMBL					More data for this Ligand-Target Pair
Integrin beta-2/Intercellular adhesion molecule-1 /Leukocyte adhesion glycoprotein LFA-1 alpha (Homo sapiens (Human))	BDBM50004774 ((S)-2-Methyl-butyric acid (1S,3R,7S,8S,8aR)-8-[2-(...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.78E+3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of HUT78 cell adhesion to immobilized ICAM-1 protein				Bioorg Med Chem Lett 14: 2483-7 (2004) Article DOI: 10.1016/j.bmcl.2004.03.006 BindingDB Entry DOI: 10.7270/Q2N58KT2
					More data for this Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase (HMG-CoA) (Homo sapiens (Human))	BDBM50004774 ((S)-2-Methyl-butyric acid (1S,3R,7S,8S,8aR)-8-[2-(...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	39	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for inhibitory activity against HMG-CoA reductase in HepG2 cells				Bioorg Med Chem Lett 2: 1085-1088 (1992) Article DOI: 10.1016/S0960-894X(00)80623-X BindingDB Entry DOI: 10.7270/Q2NG4QJQ
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
HMG-CoA reductase (Mus musculus)	BDBM50004774 ((S)-2-Methyl-butyric acid (1S,3R,7S,8S,8aR)-8-[2-(...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated in vitro for inhibitory activity against isolated enzyme HMG-CoA reductase				Bioorg Med Chem Lett 2: 1085-1088 (1992) Article DOI: 10.1016/S0960-894X(00)80623-X BindingDB Entry DOI: 10.7270/Q2NG4QJQ
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
HMG-CoA reductase (Rattus norvegicus (rat))	BDBM50004774 ((S)-2-Methyl-butyric acid (1S,3R,7S,8S,8aR)-8-[2-(...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of microsomal rat liver HMG-CoA reductase				Bioorg Med Chem Lett 2: 223-228 (1992) Article DOI: 10.1016/S0960-894X(01)81069-6 BindingDB Entry DOI: 10.7270/Q28C9W59
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
HMG-CoA reductase (Rattus norvegicus (rat))	BDBM50004774 ((S)-2-Methyl-butyric acid (1S,3R,7S,8S,8aR)-8-[2-(...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	530	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested in vitro for the HMG-CoA reductase inhibitory activity in a microsomal preparation				Bioorg Med Chem Lett 7: 549-554 (1997) Article DOI: 10.1016/S0960-894X(97)00065-6 BindingDB Entry DOI: 10.7270/Q2RB74NQ
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase (HMG-CoA) (Homo sapiens (Human))	BDBM50004774 ((S)-2-Methyl-butyric acid (1S,3R,7S,8S,8aR)-8-[2-(...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human HMGCoA reductase				J Nat Prod 52: 153-161 (1989) Article DOI: 10.1021/np50061a020 BindingDB Entry DOI: 10.7270/Q28052MW
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
HMG-CoA reductase (Rattus norvegicus (rat))	BDBM50004774 ((S)-2-Methyl-butyric acid (1S,3R,7S,8S,8aR)-8-[2-(...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Compound was evaluated for the inhibition of HMG-CoA reductase (COR) in rats.				J Med Chem 34: 367-73 (1991) BindingDB Entry DOI: 10.7270/Q2J38RHG
Warner-Lambert Company Curated by ChEMBL					More data for this Ligand-Target Pair
HMG-CoA reductase (Rattus norvegicus (rat))	BDBM50004774 ((S)-2-Methyl-butyric acid (1S,3R,7S,8S,8aR)-8-[2-(...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for inhibitory activity against HMG-CoA reductase from rat hepatocyte				Bioorg Med Chem Lett 2: 1085-1088 (1992) Article DOI: 10.1016/S0960-894X(00)80623-X BindingDB Entry DOI: 10.7270/Q2NG4QJQ
TBA Curated by ChEMBL					More data for this Ligand-Target Pair