null

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

  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(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50004774((S)-2-Methyl-butyric acid (1S,3R,7S,8S,8aR)-8-[2-(...)copy SMILEScopy InChI
Affinity DataKi:  0.600nMAssay Description:Inhibition of human HMGCoA reductaseMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q28052MW
Target3-hydroxy-3-methylglutaryl-coenzyme A reductase(Rattus norvegicus (rat))
Hoechst AG

Curated by ChEMBL
LigandPNGBDBM50004774((S)-2-Methyl-butyric acid (1S,3R,7S,8S,8aR)-8-[2-(...)copy SMILEScopy InChI
Affinity DataIC50: 8nMAssay Description:In vitro inhibition of HMG-CoA reductase of rat liverMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q22V2F4SPubMed
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-(...)copy SMILEScopy InChI
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
BindingDB Entry DOI: 10.7270/Q22V2F4SPubMed
Target3-hydroxy-3-methylglutaryl-coenzyme A reductase(Rattus norvegicus (rat))
Hoechst AG

Curated by ChEMBL
LigandPNGBDBM50004774((S)-2-Methyl-butyric acid (1S,3R,7S,8S,8aR)-8-[2-(...)copy SMILEScopy InChI
Affinity DataIC50: 7nMAssay Description:Tested for inhibition of rat liver microsomal HMG-CoA reductaseMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q25H7F9DPubMed
Target3-hydroxy-3-methylglutaryl-coenzyme A reductase(Rattus norvegicus (rat))
Hoechst AG

Curated by ChEMBL
LigandPNGBDBM50004774((S)-2-Methyl-butyric acid (1S,3R,7S,8S,8aR)-8-[2-(...)copy SMILEScopy InChI
Affinity DataIC50: 3nMAssay Description:Inhibition of rat liver microsomal HMG-CoA reductaseMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2SJ1JP7PubMed
TargetAcyl-CoA:cholesterol acyltransferase(Oryctolagus cuniculus)
Università di Bologna

Curated by ChEMBL
LigandPNGBDBM50004774((S)-2-Methyl-butyric acid (1S,3R,7S,8S,8aR)-8-[2-(...)copy SMILEScopy InChI
Affinity DataIC50: 1.68E+4nMAssay Description:Inhibition of ACAT in Albino rabbit intestinal mucosaMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q23J3CMTPubMed
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-(...)copy SMILEScopy InChI
Affinity DataIC50: 3.78E+3nMAssay Description:Inhibition of HUT78 cell adhesion to immobilized ICAM-1 proteinMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2N58KT2PubMed
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-(...)copy SMILEScopy InChI
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
BindingDB Entry DOI: 10.7270/Q2NG4QJQ
LigandPNGBDBM50004774((S)-2-Methyl-butyric acid (1S,3R,7S,8S,8aR)-8-[2-(...)copy SMILEScopy InChI
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
BindingDB Entry DOI: 10.7270/Q2NG4QJQ
Target3-hydroxy-3-methylglutaryl-coenzyme A reductase(Rattus norvegicus (rat))
Hoechst AG

Curated by ChEMBL
LigandPNGBDBM50004774((S)-2-Methyl-butyric acid (1S,3R,7S,8S,8aR)-8-[2-(...)copy SMILEScopy InChI
Affinity DataIC50: 11nMAssay Description:Inhibition of microsomal rat liver HMG-CoA reductaseMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q28C9W59
Target3-hydroxy-3-methylglutaryl-coenzyme A reductase(Rattus norvegicus (rat))
Hoechst AG

Curated by ChEMBL
LigandPNGBDBM50004774((S)-2-Methyl-butyric acid (1S,3R,7S,8S,8aR)-8-[2-(...)copy SMILEScopy InChI
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
BindingDB Entry DOI: 10.7270/Q2RB74NQ
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-(...)copy SMILEScopy InChI
Affinity DataIC50: 2nMAssay Description:Inhibition of human HMGCoA reductaseMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q28052MW
Target3-hydroxy-3-methylglutaryl-coenzyme A reductase(Rattus norvegicus (rat))
Hoechst AG

Curated by ChEMBL
LigandPNGBDBM50004774((S)-2-Methyl-butyric acid (1S,3R,7S,8S,8aR)-8-[2-(...)copy SMILEScopy InChI
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
BindingDB Entry DOI: 10.7270/Q2J38RHGPubMed
Target3-hydroxy-3-methylglutaryl-coenzyme A reductase(Rattus norvegicus (rat))
Hoechst AG

Curated by ChEMBL
LigandPNGBDBM50004774((S)-2-Methyl-butyric acid (1S,3R,7S,8S,8aR)-8-[2-(...)copy SMILEScopy InChI
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
BindingDB Entry DOI: 10.7270/Q2NG4QJQ