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-UHFFFAOYSA-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:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 14 hits for monomerid = 50004774   

Target3-hydroxy-3-methylglutaryl-coenzyme A reductase(Rat)
Warner-Lambert

Curated by ChEMBL
LigandPNGBDBM50004774(2-Methyl-butyric acid 8-[2-(4-hydroxy-6-oxo-tetrah...)
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 Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
Target3-hydroxy-3-methylglutaryl-coenzyme A reductase(Rat)
Warner-Lambert

Curated by ChEMBL
LigandPNGBDBM50004774(2-Methyl-butyric acid 8-[2-(4-hydroxy-6-oxo-tetrah...)
Affinity DataIC50: 8nMAssay Description:In vitro inhibition of HMG-CoA reductase of rat liverMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
LigandPNGBDBM50004774(2-Methyl-butyric acid 8-[2-(4-hydroxy-6-oxo-tetrah...)
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 Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
Target3-hydroxy-3-methylglutaryl-coenzyme A reductase(Rat)
Warner-Lambert

Curated by ChEMBL
LigandPNGBDBM50004774(2-Methyl-butyric acid 8-[2-(4-hydroxy-6-oxo-tetrah...)
Affinity DataIC50: 7nMAssay Description:Tested for inhibition of rat liver microsomal HMG-CoA reductaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
Target3-hydroxy-3-methylglutaryl-coenzyme A reductase(Rat)
Warner-Lambert

Curated by ChEMBL
LigandPNGBDBM50004774(2-Methyl-butyric acid 8-[2-(4-hydroxy-6-oxo-tetrah...)
Affinity DataIC50: 3nMAssay Description:Inhibition of rat liver microsomal HMG-CoA reductaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetAcyl-CoA:cholesterol acyltransferase(Rabbit)
Università

Curated by ChEMBL
LigandPNGBDBM50004774(2-Methyl-butyric acid 8-[2-(4-hydroxy-6-oxo-tetrah...)
Affinity DataIC50: 1.68E+4nMAssay Description:Inhibition of ACAT in Albino rabbit intestinal mucosaMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
Target3-hydroxy-3-methylglutaryl-coenzyme A reductase(Rat)
Warner-Lambert

Curated by ChEMBL
LigandPNGBDBM50004774(2-Methyl-butyric acid 8-[2-(4-hydroxy-6-oxo-tetrah...)
Affinity DataIC50: 32nMAssay Description:Compound was evaluated for inhibitory activity against HMG-CoA reductase from rat hepatocyteMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/17/2010
Entry Details Article

LigandPNGBDBM50004774(2-Methyl-butyric acid 8-[2-(4-hydroxy-6-oxo-tetrah...)
Affinity DataIC50: 39nMAssay Description:Compound was evaluated for inhibitory activity against HMG-CoA reductase in adrenal cell preparationMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/17/2010
Entry Details Article

LigandPNGBDBM50004774(2-Methyl-butyric acid 8-[2-(4-hydroxy-6-oxo-tetrah...)
Affinity DataIC50: 27nMAssay Description:In vitro inhibitory activity against isolated enzyme HMG-CoA reductaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/17/2010
Entry Details Article

Target3-hydroxy-3-methylglutaryl-coenzyme A reductase(Rat)
Warner-Lambert

Curated by ChEMBL
LigandPNGBDBM50004774(2-Methyl-butyric acid 8-[2-(4-hydroxy-6-oxo-tetrah...)
Affinity DataIC50: 11nMAssay Description:Inhibition of microsomal rat liver HMG-CoA reductaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/17/2010
Entry Details Article

Target3-hydroxy-3-methylglutaryl-coenzyme A reductase(Rat)
Warner-Lambert

Curated by ChEMBL
LigandPNGBDBM50004774(2-Methyl-butyric acid 8-[2-(4-hydroxy-6-oxo-tetrah...)
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 Depth
Date in BDB:
8/22/2010
Entry Details Article

LigandPNGBDBM50004774(2-Methyl-butyric acid 8-[2-(4-hydroxy-6-oxo-tetrah...)
Affinity DataIC50: 2nMAssay Description:Inhibition of human HMGCoA reductaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/25/2010
Entry Details Article

TargetIntegrin alpha-L/Integrin beta-2/Intercellular adhesion molecule 1(Human)
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM50004774(2-Methyl-butyric acid 8-[2-(4-hydroxy-6-oxo-tetrah...)
Affinity DataIC50: 3.78E+3nMAssay Description:In vitro inhibition of recombinant ICAM-1 binding to purified immobilized LFA-1 using cell-free assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
LigandPNGBDBM50004774(2-Methyl-butyric acid 8-[2-(4-hydroxy-6-oxo-tetrah...)
Affinity DataKi:  0.600nMAssay Description:Inhibition of human HMGCoA reductaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/25/2010
Entry Details Article