BDBM18375 (3R,5R)-7-[(1S,2S,6R,8S,8aR)-8-[(2,2-dimethylbutanoyl)oxy]-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoic acid::Simvastatin::Simvastatin acid

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

InChI Key InChIKey=XWLXKKNPFMNSFA-UHFFFAOYSA-N

Data  2 KI  3 IC50  1 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 5 hits for monomerid = 18375   

LigandPNGBDBM18375(Simvastatin acid | (3R,5R)-7-[(1S,2S,6R,8S,8aR)-8-...)
Affinity DataIC50: 18nMpH: 7.2 T: 2°CAssay Description:Assay for HMG-CoA reductase was based on the conversion of isotopically labeled HMG-CoA to mevalonic acid using rat liver microsomes as enzyme source...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
LigandPNGBDBM18375(Simvastatin acid | (3R,5R)-7-[(1S,2S,6R,8S,8aR)-8-...)
Affinity DataIC50: 4.30nM EC50:  6.20nMpH: 7.0 T: 2°CAssay Description:Enzyme Assay for HMG-CoA reductase was based on the conversion of isotopically labeled HMG-CoA to mevalonic acid using rat liver microsomes as enzyme...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
LigandPNGBDBM18375(Simvastatin acid | (3R,5R)-7-[(1S,2S,6R,8S,8aR)-8-...)
Affinity DataIC50: 3.60E+3nMAssay Description:TP_TRANSPORTER: inhibition of estradiol-17beta-glucuronide uptake(estradiol-17beta-glucuronide:0.02uM) in OATP1B1-expressing HEK293 cellsMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetBile salt export pump(Human)
University of Tokyo

Curated by PDSP Ki Database
LigandPNGBDBM18375(Simvastatin acid | (3R,5R)-7-[(1S,2S,6R,8S,8aR)-8-...)
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetBile salt export pump(Rat)
University of Tokyo

Curated by PDSP Ki Database
LigandPNGBDBM18375(Simvastatin acid | (3R,5R)-7-[(1S,2S,6R,8S,8aR)-8-...)
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed