null

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

InChI Key InChIKey=AJLFOPYRIVGYMJ-INTXDZFKSA-N

PDB links: 1 PDB ID matches this monomer.

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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 20 hits for monomerid = 50011036   

Target3-hydroxy-3-methylglutaryl-coenzyme A reductase(Rattus norvegicus (rat))
University of California

Curated by ChEMBL
LigandPNGBDBM50011036((S)-((1S,7S,8S,8aR)-8-(2-((2R,4R)-4-hydroxy-6-oxo-...)copy SMILEScopy InChI
Affinity DataKi:  1.40nMAssay Description:Inhibition of purified human kidney renin, fluorometric assay using a synthetic tetradecapeptide renin substrate at 10e-9 M concentrationMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2TX3DCDPubMed
TargetPotassium channel subfamily K member 9(Homo sapiens (Human))
Universidad de Talca

Curated by ChEMBL
LigandPNGBDBM50011036((S)-((1S,7S,8S,8aR)-8-(2-((2R,4R)-4-hydroxy-6-oxo-...)copy SMILEScopy InChI
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 DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2TT4V7BPubMed
Target3-hydroxy-3-methylglutaryl-coenzyme A reductase(Rattus norvegicus (rat))
University of California

Curated by ChEMBL
LigandPNGBDBM50011036((S)-((1S,7S,8S,8aR)-8-(2-((2R,4R)-4-hydroxy-6-oxo-...)copy SMILEScopy InChI
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 DepthDetails
BindingDB Entry DOI: 10.7270/Q2J38RHGPubMed
Target3-hydroxy-3-methylglutaryl-coenzyme A reductase(Rattus norvegicus (rat))
University of California

Curated by ChEMBL
LigandPNGBDBM50011036((S)-((1S,7S,8S,8aR)-8-(2-((2R,4R)-4-hydroxy-6-oxo-...)copy SMILEScopy InChI
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 DepthDetails
BindingDB Entry DOI: 10.7270/Q2XG9RR6PubMed
Target3-hydroxy-3-methylglutaryl-coenzyme A reductase(Rattus norvegicus (rat))
University of California

Curated by ChEMBL
LigandPNGBDBM50011036((S)-((1S,7S,8S,8aR)-8-(2-((2R,4R)-4-hydroxy-6-oxo-...)copy SMILEScopy InChI
Affinity DataIC50: 10nMAssay Description:In vitro inhibitory activity against HMG CoA reductaseMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2VM4B8TPubMed
Target3-hydroxy-3-methylglutaryl-coenzyme A reductase(Rattus norvegicus (rat))
University of California

Curated by ChEMBL
LigandPNGBDBM50011036((S)-((1S,7S,8S,8aR)-8-(2-((2R,4R)-4-hydroxy-6-oxo-...)copy SMILEScopy InChI
Affinity DataIC50: 1.00E+3nMAssay Description:Inhibition of HMG-CoA reductase from rat liverMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2QV3KHNPubMed
Target3-hydroxy-3-methylglutaryl-coenzyme A reductase(Rattus norvegicus (rat))
University of California

Curated by ChEMBL
LigandPNGBDBM50011036((S)-((1S,7S,8S,8aR)-8-(2-((2R,4R)-4-hydroxy-6-oxo-...)copy SMILEScopy InChI
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 DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2RB74NQ
Target3-hydroxy-3-methylglutaryl-coenzyme A reductase(Homo sapiens (Human))
National Institute of Pharmaceutical Education and Research (NIPER)

Curated by ChEMBL
LigandPNGBDBM50011036((S)-((1S,7S,8S,8aR)-8-(2-((2R,4R)-4-hydroxy-6-oxo-...)copy SMILEScopy InChI
Affinity DataIC50: 23nMAssay Description:Inhibitory concentration against 3-hydroxy-3-methylglutaryl-CoA reductaseMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2TB17N9PubMed
Target3-hydroxy-3-methylglutaryl-coenzyme A reductase(Rattus norvegicus (rat))
University of California

Curated by ChEMBL
LigandPNGBDBM50011036((S)-((1S,7S,8S,8aR)-8-(2-((2R,4R)-4-hydroxy-6-oxo-...)copy SMILEScopy InChI
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 DepthDetails Article
BindingDB Entry DOI: 10.7270/Q22F7PCKPubMed
Target3-hydroxy-3-methylglutaryl-coenzyme A reductase(Homo sapiens (Human))
National Institute of Pharmaceutical Education and Research (NIPER)

Curated by ChEMBL
LigandPNGBDBM50011036((S)-((1S,7S,8S,8aR)-8-(2-((2R,4R)-4-hydroxy-6-oxo-...)copy SMILEScopy InChI
Affinity DataIC50: 28nMAssay Description:The compound was tested in vitro for inhibitory activity against HMG-CoA reductaseMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q27M06VPPubMed
Target3-hydroxy-3-methylglutaryl-coenzyme A reductase(Rattus norvegicus (rat))
University of California

Curated by ChEMBL
LigandPNGBDBM50011036((S)-((1S,7S,8S,8aR)-8-(2-((2R,4R)-4-hydroxy-6-oxo-...)copy SMILEScopy InChI
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 DepthDetails
BindingDB Entry DOI: 10.7270/Q2XG9RR6PubMed
Target3-hydroxy-3-methylglutaryl-coenzyme A reductase(Rattus norvegicus (rat))
University of California

Curated by ChEMBL
LigandPNGBDBM50011036((S)-((1S,7S,8S,8aR)-8-(2-((2R,4R)-4-hydroxy-6-oxo-...)copy SMILEScopy InChI
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 DepthDetails
BindingDB Entry DOI: 10.7270/Q2XG9RR6PubMed
Target3-hydroxy-3-methylglutaryl-coenzyme A reductase(Rattus norvegicus (rat))
University of California

Curated by ChEMBL
LigandPNGBDBM50011036((S)-((1S,7S,8S,8aR)-8-(2-((2R,4R)-4-hydroxy-6-oxo-...)copy SMILEScopy InChI
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 DepthDetails
BindingDB Entry DOI: 10.7270/Q2XG9RR6PubMed
TargetBile salt export pump(Homo sapiens (Human))
Amgen Inc

Curated by ChEMBL
LigandPNGBDBM50011036((S)-((1S,7S,8S,8aR)-8-(2-((2R,4R)-4-hydroxy-6-oxo-...)copy SMILEScopy InChI
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 DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2JM2D2DPubMed
TargetATP-binding cassette sub-family C member 4(Homo sapiens (Human))
Amgen Inc

Curated by ChEMBL
LigandPNGBDBM50011036((S)-((1S,7S,8S,8aR)-8-(2-((2R,4R)-4-hydroxy-6-oxo-...)copy SMILEScopy InChI
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 DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2JM2D2DPubMed
TargetATP-binding cassette sub-family C member 3(Homo sapiens (Human))
Amgen Inc

Curated by ChEMBL
LigandPNGBDBM50011036((S)-((1S,7S,8S,8aR)-8-(2-((2R,4R)-4-hydroxy-6-oxo-...)copy SMILEScopy InChI
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 DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2JM2D2DPubMed
TargetATP-binding cassette sub-family C member 2(Homo sapiens (Human))
Amgen Inc

Curated by ChEMBL
LigandPNGBDBM50011036((S)-((1S,7S,8S,8aR)-8-(2-((2R,4R)-4-hydroxy-6-oxo-...)copy SMILEScopy InChI
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 DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2JM2D2DPubMed
Target3-hydroxy-3-methylglutaryl-coenzyme A reductase(Homo sapiens (Human))
National Institute of Pharmaceutical Education and Research (NIPER)

Curated by ChEMBL
LigandPNGBDBM50011036((S)-((1S,7S,8S,8aR)-8-(2-((2R,4R)-4-hydroxy-6-oxo-...)copy SMILEScopy InChI
Affinity DataIC50: 23nMAssay Description:Inhibition of HMG-CoA Reductase (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2ZG6WHWPubMed
TargetCystic fibrosis transmembrane conductance regulator(Homo sapiens (Human))
Southern Research Institute

Curated by PubChem BioAssay
LigandPNGBDBM50011036((S)-((1S,7S,8S,8aR)-8-(2-((2R,4R)-4-hydroxy-6-oxo-...)copy SMILEScopy InChI
Affinity DataEC50: >5.00E+4nMMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2CZ35ZFPCBioAssay
Target3-hydroxy-3-methylglutaryl-coenzyme A reductase(Rattus norvegicus (rat))
University of California

Curated by ChEMBL
LigandPNGBDBM50011036((S)-((1S,7S,8S,8aR)-8-(2-((2R,4R)-4-hydroxy-6-oxo-...)copy SMILEScopy InChI
Affinity DataIC50: 30nMAssay Description:Inhibition of HMG-CoA reductase activity in partially purified rat liverMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2NV9H6FPubMed