BDBM50011036 (S)-((1S,7S,8S,8aR)-8-(2-((2R,4R)-4-hydroxy-6-oxo-tetrahydro-2H-pyran-2-yl)ethyl)-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl) 2-methylbutanoate::(S)-2-Methyl-butyric acid (1S,7S,8S,8aR)-8-[2-((2R,4R)-4-hydroxy-6-oxo-tetrahydro-pyran-2-yl)-ethyl]-7-methyl-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]-7-methyl-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]-7-methyl-1,2,3,7,8,8a-hexahydro-naphthalen-1-yl ester((+)-compactin)::2-Methyl-butyric acid 8-[2-(4-hydroxy-6-oxo-tetrahydro-pyran-2-yl)-ethyl]-7-methyl-1,2,3,7,8,8a-hexahydro-naphthalen-1-yl ester(Compactin)::CHEMBL54440::MEVASTATIN::cid_64715::compactin

SMILES CC[C@H](C)C(=O)O[C@H]1CCC=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@@H]3C[C@H](CC(=O)O3)O

InChI Key InChIKey=AJLFOPYRIVGYMJ-UHFFFAOYSA-N

Data  1 KI  18 IC50  1 EC50

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 20 hits for monomerid = 50011036   

Target3-hydroxy-3-methylglutaryl-coenzyme A reductase(Rat)
University of California

Curated by ChEMBL
LigandPNGBDBM50011036(2-Methyl-butyric acid 8-[2-(4-hydroxy-6-oxo-tetrah...)
Affinity DataKi:  1.40nMAssay Description:Binding affinity against HMG-CoA reductase in rat liver microsomesMore 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)
University of California

Curated by ChEMBL
LigandPNGBDBM50011036(2-Methyl-butyric acid 8-[2-(4-hydroxy-6-oxo-tetrah...)
Affinity DataIC50: 10nMAssay Description:In vitro inhibitory activity against 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(Human)
National Institute of Pharmaceutical Education and Research (NIPER)

Curated by ChEMBL
LigandPNGBDBM50011036(2-Methyl-butyric acid 8-[2-(4-hydroxy-6-oxo-tetrah...)
Affinity DataIC50: 23nMAssay Description:Inhibitory concentration against 3-hydroxy-3-methylglutaryl-CoA reductaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/2/2012
Entry Details Article
PubMed
Target3-hydroxy-3-methylglutaryl-coenzyme A reductase(Human)
National Institute of Pharmaceutical Education and Research (NIPER)

Curated by ChEMBL
LigandPNGBDBM50011036(2-Methyl-butyric acid 8-[2-(4-hydroxy-6-oxo-tetrah...)
Affinity DataIC50: 23nMAssay Description:Inhibition of HMG-CoA Reductase (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMed
Target3-hydroxy-3-methylglutaryl-coenzyme A reductase(Rat)
University of California

Curated by ChEMBL
LigandPNGBDBM50011036(2-Methyl-butyric acid 8-[2-(4-hydroxy-6-oxo-tetrah...)
Affinity DataIC50: 25nMAssay Description:Ability to inhibit HMG-CoA reductase (HMGR) by CoA reductase inhibition screen (COR) in ratsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/19/2012
Entry Details Article
PubMed
Target3-hydroxy-3-methylglutaryl-coenzyme A reductase(Rat)
University of California

Curated by ChEMBL
LigandPNGBDBM50011036(2-Methyl-butyric acid 8-[2-(4-hydroxy-6-oxo-tetrah...)
Affinity DataIC50: 25nMAssay 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)
University of California

Curated by ChEMBL
LigandPNGBDBM50011036(2-Methyl-butyric acid 8-[2-(4-hydroxy-6-oxo-tetrah...)
Affinity DataIC50: 25nMAssay Description:Ability to inhibit HMG-CoA reductase (HMGR) by cholesterol synthesis inhibition screen (CSI) in ratsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/19/2012
Entry Details Article
PubMed
Target3-hydroxy-3-methylglutaryl-coenzyme A reductase(Rat)
University of California

Curated by ChEMBL
LigandPNGBDBM50011036(2-Methyl-butyric acid 8-[2-(4-hydroxy-6-oxo-tetrah...)
Affinity DataIC50: 25nMAssay Description:Ability to inhibit HMG-CoA reductase (HMGR) by CoA reductase inhibition screen (COR) in ratsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/19/2012
Entry Details Article
PubMed
Target3-hydroxy-3-methylglutaryl-coenzyme A reductase(Rat)
University of California

Curated by ChEMBL
LigandPNGBDBM50011036(2-Methyl-butyric acid 8-[2-(4-hydroxy-6-oxo-tetrah...)
Affinity DataIC50: 26nMAssay Description:Ability to inhibit HMG-CoA reductase (HMGR) by cholesterol synthesis inhibition screen (CSI) in ratsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/19/2012
Entry Details Article
PubMed
Target3-hydroxy-3-methylglutaryl-coenzyme A reductase(Human)
National Institute of Pharmaceutical Education and Research (NIPER)

Curated by ChEMBL
LigandPNGBDBM50011036(2-Methyl-butyric acid 8-[2-(4-hydroxy-6-oxo-tetrah...)
Affinity DataIC50: 28nMAssay Description:The compound was tested in vitro for inhibitory activity against 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)
University of California

Curated by ChEMBL
LigandPNGBDBM50011036(2-Methyl-butyric acid 8-[2-(4-hydroxy-6-oxo-tetrah...)
Affinity DataIC50: 30nMAssay Description:Inhibition of HMG-CoA reductase activity in partially purified rat liverMore 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)
University of California

Curated by ChEMBL
LigandPNGBDBM50011036(2-Methyl-butyric acid 8-[2-(4-hydroxy-6-oxo-tetrah...)
Affinity DataIC50: 40nMAssay Description:Inhibition of rat HMG-CoA reductase using 0.37 MBq DL-[3-14C]HMG-CoAMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/24/2012
Entry Details Article
PubMed
Target3-hydroxy-3-methylglutaryl-coenzyme A reductase(Rat)
University of California

Curated by ChEMBL
LigandPNGBDBM50011036(2-Methyl-butyric acid 8-[2-(4-hydroxy-6-oxo-tetrah...)
Affinity DataIC50: 1.00E+3nMAssay Description:Inhibition of HMG-CoA reductase from rat liverMore 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)
University of California

Curated by ChEMBL
LigandPNGBDBM50011036(2-Methyl-butyric acid 8-[2-(4-hydroxy-6-oxo-tetrah...)
Affinity DataIC50: 1.15E+3nMAssay 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

TargetBile salt export pump(Human)
Amgen

Curated by ChEMBL
LigandPNGBDBM50011036(2-Methyl-butyric acid 8-[2-(4-hydroxy-6-oxo-tetrah...)
Affinity DataIC50: 2.70E+4nMAssay Description:Inhibition of human BSEP overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-taurocholate in presence of ATP measured after 15 to ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/3/2019
Entry Details Article
PubMed
TargetCystic fibrosis transmembrane conductance regulator(Human)
Southern Research Institute

Curated by PubChem BioAssay
LigandPNGBDBM50011036(2-Methyl-butyric acid 8-[2-(4-hydroxy-6-oxo-tetrah...)
Affinity DataEC50: >5.00E+4nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/9/2016
Entry Details
PCBioAssay
LigandPNGBDBM50011036(2-Methyl-butyric acid 8-[2-(4-hydroxy-6-oxo-tetrah...)
Affinity DataIC50: 1.33E+5nMAssay Description:Inhibition of human MRP3 overexpressed in Sf9 insect cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/3/2019
Entry Details Article
PubMed
LigandPNGBDBM50011036(2-Methyl-butyric acid 8-[2-(4-hydroxy-6-oxo-tetrah...)
Affinity DataIC50: 1.33E+5nMAssay Description:Inhibition of human MRP2 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/3/2019
Entry Details Article
PubMed
LigandPNGBDBM50011036(2-Methyl-butyric acid 8-[2-(4-hydroxy-6-oxo-tetrah...)
Affinity DataIC50: 1.33E+5nMAssay Description:Inhibition of human MRP4 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/3/2019
Entry Details Article
PubMed
TargetPotassium channel subfamily K member 9(Human)
Universidad De Talca

Curated by ChEMBL
LigandPNGBDBM50011036(2-Methyl-butyric acid 8-[2-(4-hydroxy-6-oxo-tetrah...)
Affinity DataIC50: 1.59E+5nMAssay Description:Inhibition of human TASK3 expressed in HEK293 cells by Ti+ flux assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMed