BDBM50139181 (1S,3R,7S,8S,8aR)-8-{2-[(2R,4R)-4-hydroxy-6-oxotetrahydro-2H-pyran-2-yl]ethyl}-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl 2,2-dimethylbutanoate::2,2-dimethylbutyric acid, 8-ester with (4R,6R)-6-(2-((1S,2S,6R,8S,8aR)-1,2,6,7,8,8a-hexahydro-8-hydroxy-2,6-dimethyl-1-naphthyl)ethyl)tetrahydro-4-hydroxy-2H-pyran-2-one::MK-733::SIMVASTATIN LACTONE::Simvastatin::Zocor::cid_54454

SMILES CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12

InChI Key InChIKey=RYMZZMVNJRMUDD-HGQWONQESA-N

Data  8 KI  32 IC50  2 EC50

  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 10 hits for monomerid = 50139181   

Target3-hydroxy-3-methylglutaryl-coenzyme A reductase(Homo sapiens (Human))
Universidad Nacional AutóNoma De MéXico

Curated by ChEMBL
LigandPNGBDBM50139181((1S,3R,7S,8S,8aR)-8-{2-[(2R,4R)-4-hydroxy-6-oxotet...)
Affinity DataKi:  2.60nMAssay Description:Inhibitory constant against HMG-CoA reductaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target3-hydroxy-3-methylglutaryl-coenzyme A reductase(Homo sapiens (Human))
Universidad Nacional AutóNoma De MéXico

Curated by ChEMBL
LigandPNGBDBM50139181((1S,3R,7S,8S,8aR)-8-{2-[(2R,4R)-4-hydroxy-6-oxotet...)
Affinity DataKi:  6.80E+4nMAssay Description:Inhibitory constant against HMG-CoA reductase with alpha asaroneMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target3-hydroxy-3-methylglutaryl-coenzyme A reductase(Homo sapiens (Human))
Universidad Nacional AutóNoma De MéXico

Curated by ChEMBL
LigandPNGBDBM50139181((1S,3R,7S,8S,8aR)-8-{2-[(2R,4R)-4-hydroxy-6-oxotet...)
Affinity DataIC50:  49nMAssay Description:Inhibition of HMGCoA reductaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target3-hydroxy-3-methylglutaryl-coenzyme A reductase(Homo sapiens (Human))
Universidad Nacional AutóNoma De MéXico

Curated by ChEMBL
LigandPNGBDBM50139181((1S,3R,7S,8S,8aR)-8-{2-[(2R,4R)-4-hydroxy-6-oxotet...)
Affinity DataIC50:  49nMAssay Description:Inhibition of HMG-CoA reductaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target3-hydroxy-3-methylglutaryl-coenzyme A reductase(Homo sapiens (Human))
Universidad Nacional AutóNoma De MéXico

Curated by ChEMBL
LigandPNGBDBM50139181((1S,3R,7S,8S,8aR)-8-{2-[(2R,4R)-4-hydroxy-6-oxotet...)
Affinity DataIC50:  11nMAssay Description:Inhibitory concentration against 3-hydroxy-3-methylglutaryl-CoA reductaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target3-hydroxy-3-methylglutaryl-coenzyme A reductase(Schizosaccharomyces pombe)
Instituto Polit£Cnico Nacional (Ipn)

Curated by ChEMBL
LigandPNGBDBM50139181((1S,3R,7S,8S,8aR)-8-{2-[(2R,4R)-4-hydroxy-6-oxotet...)
Affinity DataIC50:  9.52E+4nMAssay Description:Inhibition of Schizosaccharomyces pombe HMG-CoA reductase by spectrophotometryMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target3-hydroxy-3-methylglutaryl-coenzyme A reductase(Homo sapiens (Human))
Universidad Nacional AutóNoma De MéXico

Curated by ChEMBL
LigandPNGBDBM50139181((1S,3R,7S,8S,8aR)-8-{2-[(2R,4R)-4-hydroxy-6-oxotet...)
Affinity DataIC50:  0.900nMAssay Description:Inhibition of HMG-CoA reductase (unknown origin) using [14C]-HMG-CoA as substrate after 5 mins in presence of NADPHMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target3-hydroxy-3-methylglutaryl-coenzyme A reductase(Homo sapiens (Human))
Universidad Nacional AutóNoma De MéXico

Curated by ChEMBL
LigandPNGBDBM50139181((1S,3R,7S,8S,8aR)-8-{2-[(2R,4R)-4-hydroxy-6-oxotet...)
Affinity DataIC50:  11.2nMAssay Description:Inhibitory concentration against HMG-CoA reductaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target3-hydroxy-3-methylglutaryl-coenzyme A reductase(Homo sapiens (Human))
Universidad Nacional AutóNoma De MéXico

Curated by ChEMBL
LigandPNGBDBM50139181((1S,3R,7S,8S,8aR)-8-{2-[(2R,4R)-4-hydroxy-6-oxotet...)
Affinity DataIC50:  40nMAssay Description:Inhibition of human HMG-CoA reductase after 30 minsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target3-hydroxy-3-methylglutaryl-coenzyme A reductase(Homo sapiens (Human))
Universidad Nacional AutóNoma De MéXico

Curated by ChEMBL
LigandPNGBDBM50139181((1S,3R,7S,8S,8aR)-8-{2-[(2R,4R)-4-hydroxy-6-oxotet...)
Affinity DataIC50:  6.11E+3nMAssay Description:Inhibition of human HMG-CoA reductase activity using NADPH by spectrophotometricallyMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed