BDBM20688 (3R,5R)-7-[(1S,2S,6S,8S,8aR)-6-hydroxy-2-methyl-8-{[(2S)-2-methylbutanoyl]oxy}-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoic acid::CHEMBL1144::Pravastatin

SMILES [H][C@]12[C@H](C[C@H](O)C=C1C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(O)=O)OC(=O)[C@@H](C)CC

InChI Key InChIKey=TUZYXOIXSAXUGO-UHFFFAOYSA-N

Data  9 KI  14 IC50  2 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 23 hits for monomerid = 20688   

LigandPNGBDBM20688((3R,5R)-7-[(1S,2S,6S,8S,8aR)-6-hydroxy-2-methyl-8-...)
Affinity DataIC50: 6.20E+4nMAssay Description:Inhibition of human liver OATP1B3 expressed in HEK293 Flp-In cells assessed as reduction in [3H]E17-betaG uptake incubated for 5 mins by scintillatio...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetSolute carrier family 22 member 11(Human)
Kyorin University

Curated by ChEMBL
LigandPNGBDBM20688((3R,5R)-7-[(1S,2S,6S,8S,8aR)-6-hydroxy-2-methyl-8-...)
Affinity DataIC50: 5.91E+5nMAssay Description:TP_TRANSPORTER: inhibition of ES uptake (ES: 50nM) in hOAT4-expressing S2 cellsMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetSolute carrier family 22 member 8(Rat)
Kyorin University

Curated by ChEMBL
LigandPNGBDBM20688((3R,5R)-7-[(1S,2S,6S,8S,8aR)-6-hydroxy-2-methyl-8-...)
Affinity DataIC50: 1.56E+4nMAssay Description:TP_TRANSPORTER: inhibition of ES uptake (ES: 50nM) in rOAT3-expressing S2 cellsMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetSolute carrier family 22 member 8(Human)
Kyorin University

Curated by ChEMBL
LigandPNGBDBM20688((3R,5R)-7-[(1S,2S,6S,8S,8aR)-6-hydroxy-2-methyl-8-...)
Affinity DataIC50: 1.37E+4nMAssay Description:TP_TRANSPORTER: inhibition of ES uptake (ES: 50nM) in hOAT3-expressing S2 cellsMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetSolute carrier family 22 member 7(Rat)
Kyorin University

Curated by ChEMBL
LigandPNGBDBM20688((3R,5R)-7-[(1S,2S,6S,8S,8aR)-6-hydroxy-2-methyl-8-...)
Affinity DataIC50: 4.49E+5nMAssay Description:TP_TRANSPORTER: inhibition of PGF2alpha uptake (PGF2: 50nM) in rOAT2-expressing S2 cellsMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetSolute carrier family 22 member 7(Human)
Kyorin University

Curated by ChEMBL
LigandPNGBDBM20688((3R,5R)-7-[(1S,2S,6S,8S,8aR)-6-hydroxy-2-methyl-8-...)
Affinity DataIC50: 3.52E+5nMAssay Description:TP_TRANSPORTER: inhibition of PGF2alpha uptake (PGF2: 50nM) in hOAT2-expressing S2 cellsMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetSolute carrier family 22 member 6(Human)
Kyorin University

Curated by ChEMBL
LigandPNGBDBM20688((3R,5R)-7-[(1S,2S,6S,8S,8aR)-6-hydroxy-2-methyl-8-...)
Affinity DataIC50: 4.08E+5nMAssay Description:TP_TRANSPORTER: inhibition of PHA uptake (PHA: 5uM) in hOAT1-expressing S2 cellsMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
LigandPNGBDBM20688((3R,5R)-7-[(1S,2S,6S,8S,8aR)-6-hydroxy-2-methyl-8-...)
Affinity DataIC50: 3.60E+3nMAssay Description:Inhibition of human liver OATP1B1 expressed in HEK293 Flp-In cells assessed as reduction in E17-betaG uptake by scintillation countingMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
LigandPNGBDBM20688((3R,5R)-7-[(1S,2S,6S,8S,8aR)-6-hydroxy-2-methyl-8-...)
Affinity DataIC50: 13nM EC50:  17nMpH: 7.2 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
LigandPNGBDBM20688((3R,5R)-7-[(1S,2S,6S,8S,8aR)-6-hydroxy-2-methyl-8-...)
Affinity DataIC50: 1.90E+5nMAssay Description:Inhibition of human liver OATP2B1 expressed in HEK293 Flp-In cells assessed as reduction in [3H]E3S uptake incubated for 5 mins by scintillation coun...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
Target3-hydroxy-3-methylglutaryl-coenzyme A reductase(Human)
Warner-Lambert

Curated by ChEMBL
LigandPNGBDBM20688((3R,5R)-7-[(1S,2S,6S,8S,8aR)-6-hydroxy-2-methyl-8-...)
Affinity DataIC50: 30nMAssay Description:Tested in vitro for the inhibition of HMG-CoA reductase from partially purified microsomal preparations.More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetSqualene monooxygenase(Human)
Centre De Recherche Pierre Fabre

Curated by ChEMBL
LigandPNGBDBM20688((3R,5R)-7-[(1S,2S,6S,8S,8aR)-6-hydroxy-2-methyl-8-...)
Affinity DataIC50: 1.00E+4nMAssay Description:In vitro inhibitory activity against pig liver microsomal squalene epoxidaseMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
Target3-hydroxy-3-methylglutaryl-coenzyme A reductase(Human)
Warner-Lambert

Curated by ChEMBL
LigandPNGBDBM20688((3R,5R)-7-[(1S,2S,6S,8S,8aR)-6-hydroxy-2-methyl-8-...)
Affinity DataIC50: 400nMAssay Description:Inhibition of human HMGR catalytic domain using 800 uM HMG-CoA as substrate measured every 20 secs for 10 minsMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
LigandPNGBDBM20688((3R,5R)-7-[(1S,2S,6S,8S,8aR)-6-hydroxy-2-methyl-8-...)
Affinity DataIC50: 31.6nM EC50:  29nMpH: 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
LigandPNGBDBM20688((3R,5R)-7-[(1S,2S,6S,8S,8aR)-6-hydroxy-2-methyl-8-...)
Affinity DataKi:  3.40E+3nMAssay Description:Inhibition of human liver OATP1B1 expressed in HEK293 Flp-In cells assessed as reduction in E17-betaG uptake by scintillation countingMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetSolute carrier organic anion transporter family member(Zebrafish)
Rudjer Boskovic Institute

LigandPNGBDBM20688((3R,5R)-7-[(1S,2S,6S,8S,8aR)-6-hydroxy-2-methyl-8-...)
Affinity DataKi:  9.27E+3nMAssay Description:In the inhibition experiments, the cells were preincubated for 20 s with test compounds, followed by a 5-min incubation with [3H]E3S (5 nM) or 30-min...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetBile salt export pump(Rat)
University of Tokyo

Curated by PDSP Ki Database
LigandPNGBDBM20688((3R,5R)-7-[(1S,2S,6S,8S,8aR)-6-hydroxy-2-methyl-8-...)
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetBile salt export pump(Human)
University of Tokyo

Curated by PDSP Ki Database
LigandPNGBDBM20688((3R,5R)-7-[(1S,2S,6S,8S,8aR)-6-hydroxy-2-methyl-8-...)
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetSolute carrier family 22 member 6(Rat)
University of California

Curated by ChEMBL
LigandPNGBDBM20688((3R,5R)-7-[(1S,2S,6S,8S,8aR)-6-hydroxy-2-methyl-8-...)
Affinity DataKi:  5.20E+4nMAssay Description:Inhibition of rat Oat1 expressed in pig LLC-PK11 cellsMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
LigandPNGBDBM20688((3R,5R)-7-[(1S,2S,6S,8S,8aR)-6-hydroxy-2-methyl-8-...)
Affinity DataKi:  5.70E+4nMAssay Description:Inhibition of human liver OATP1B3 expressed in HEK293 Flp-In cells assessed as reduction in [3H]E17-betaG uptake incubated for 5 mins by scintillatio...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
LigandPNGBDBM20688((3R,5R)-7-[(1S,2S,6S,8S,8aR)-6-hydroxy-2-methyl-8-...)
Affinity DataKi:  1.80E+5nMAssay Description:Inhibition of human liver OATP2B1 expressed in HEK293 Flp-In cells assessed as reduction in [3H]E3S uptake incubated for 5 mins by scintillation coun...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetSolute carrier family 22 member 6(Rat)
University of California

Curated by ChEMBL
LigandPNGBDBM20688((3R,5R)-7-[(1S,2S,6S,8S,8aR)-6-hydroxy-2-methyl-8-...)
Affinity DataKi:  1.15E+6nMAssay Description:TP_TRANSPORTER: inhibition of PAH uptake in Oat1-expressing LLC-PK1 cellsMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetATP-binding cassette sub-family C member 2(Rat)
Toho University School of Pharmaceutical Sciences

Curated by ChEMBL
LigandPNGBDBM20688((3R,5R)-7-[(1S,2S,6S,8S,8aR)-6-hydroxy-2-methyl-8-...)
Affinity DataKi:  1.72E+5nMAssay Description:TP_TRANSPORTER: inhibition of DNP-SG uptake in bile canalicular membrane vesicles from SD ratMore data for this Ligand-Target Pair
In DepthDetails
PubMed