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

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 14 hits for monomerid = 50004774   

Target3-hydroxy-3-methylglutaryl-coenzyme A reductase(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50004774((S)-2-Methyl-butyric acid (1S,3R,7S,8S,8aR)-8-[2-(...)
Affinity DataKi:  0.600nMAssay Description:Inhibition of human HMGCoA reductaseMore data for this Ligand-Target Pair
In DepthDetails Article
Target3-hydroxy-3-methylglutaryl-coenzyme A reductase(Rattus norvegicus (rat))
Hoechst

Curated by ChEMBL
LigandPNGBDBM50004774((S)-2-Methyl-butyric acid (1S,3R,7S,8S,8aR)-8-[2-(...)
Affinity DataIC50:  8nMAssay Description:In vitro inhibition of HMG-CoA reductase of rat liverMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target3-hydroxy-3-methylglutaryl-coenzyme A reductase(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50004774((S)-2-Methyl-butyric acid (1S,3R,7S,8S,8aR)-8-[2-(...)
Affinity DataIC50:  0.0500nMAssay Description:Inhibition of cellular HMG-CoA reductase in cultures of hepatic cells (HEP G2, a human hepatoma cell line)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target3-hydroxy-3-methylglutaryl-coenzyme A reductase(Rattus norvegicus (rat))
Hoechst

Curated by ChEMBL
LigandPNGBDBM50004774((S)-2-Methyl-butyric acid (1S,3R,7S,8S,8aR)-8-[2-(...)
Affinity DataIC50:  7nMAssay Description:Tested for inhibition of rat liver microsomal HMG-CoA reductaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target3-hydroxy-3-methylglutaryl-coenzyme A reductase(Rattus norvegicus (rat))
Hoechst

Curated by ChEMBL
LigandPNGBDBM50004774((S)-2-Methyl-butyric acid (1S,3R,7S,8S,8aR)-8-[2-(...)
Affinity DataIC50:  3nMAssay Description:Inhibition of rat liver microsomal HMG-CoA reductaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAcyl-CoA:cholesterol acyltransferase(Oryctolagus cuniculus)
Università

Curated by ChEMBL
LigandPNGBDBM50004774((S)-2-Methyl-butyric acid (1S,3R,7S,8S,8aR)-8-[2-(...)
Affinity DataIC50:  1.68E+4nMAssay Description:Inhibition of ACAT in Albino rabbit intestinal mucosaMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetIntegrin alpha-L/Integrin beta-2/Intercellular adhesion molecule 1(Homo sapiens (Human))
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM50004774((S)-2-Methyl-butyric acid (1S,3R,7S,8S,8aR)-8-[2-(...)
Affinity DataIC50:  3.78E+3nMAssay Description:Inhibition of HUT78 cell adhesion to immobilized ICAM-1 proteinMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target3-hydroxy-3-methylglutaryl-coenzyme A reductase(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50004774((S)-2-Methyl-butyric acid (1S,3R,7S,8S,8aR)-8-[2-(...)
Affinity DataIC50:  39nMAssay Description:Compound was evaluated for inhibitory activity against HMG-CoA reductase in HepG2 cellsMore data for this Ligand-Target Pair
In DepthDetails Article
LigandPNGBDBM50004774((S)-2-Methyl-butyric acid (1S,3R,7S,8S,8aR)-8-[2-(...)
Affinity DataIC50:  27nMAssay Description:Compound was evaluated in vitro for inhibitory activity against isolated enzyme HMG-CoA reductaseMore data for this Ligand-Target Pair
In DepthDetails Article
Target3-hydroxy-3-methylglutaryl-coenzyme A reductase(Rattus norvegicus (rat))
Hoechst

Curated by ChEMBL
LigandPNGBDBM50004774((S)-2-Methyl-butyric acid (1S,3R,7S,8S,8aR)-8-[2-(...)
Affinity DataIC50:  11nMAssay Description:Inhibition of microsomal rat liver HMG-CoA reductaseMore data for this Ligand-Target Pair
In DepthDetails Article
Target3-hydroxy-3-methylglutaryl-coenzyme A reductase(Rattus norvegicus (rat))
Hoechst

Curated by ChEMBL
LigandPNGBDBM50004774((S)-2-Methyl-butyric acid (1S,3R,7S,8S,8aR)-8-[2-(...)
Affinity DataIC50:  530nMAssay Description:Tested in vitro for the HMG-CoA reductase inhibitory activity in a microsomal preparationMore data for this Ligand-Target Pair
In DepthDetails Article
Target3-hydroxy-3-methylglutaryl-coenzyme A reductase(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50004774((S)-2-Methyl-butyric acid (1S,3R,7S,8S,8aR)-8-[2-(...)
Affinity DataIC50:  2nMAssay Description:Inhibition of human HMGCoA reductaseMore data for this Ligand-Target Pair
In DepthDetails Article
Target3-hydroxy-3-methylglutaryl-coenzyme A reductase(Rattus norvegicus (rat))
Hoechst

Curated by ChEMBL
LigandPNGBDBM50004774((S)-2-Methyl-butyric acid (1S,3R,7S,8S,8aR)-8-[2-(...)
Affinity DataIC50:  28nMAssay Description:Compound was evaluated for the inhibition of HMG-CoA reductase (COR) in rats.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target3-hydroxy-3-methylglutaryl-coenzyme A reductase(Rattus norvegicus (rat))
Hoechst

Curated by ChEMBL
LigandPNGBDBM50004774((S)-2-Methyl-butyric acid (1S,3R,7S,8S,8aR)-8-[2-(...)
Affinity DataIC50:  32nMAssay Description:Compound was evaluated for inhibitory activity against HMG-CoA reductase from rat hepatocyteMore data for this Ligand-Target Pair
In DepthDetails Article