null

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

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 11 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...)copy SMILEScopy InChI
Affinity DataKi:  2.60nMAssay Description:Inhibitory constant against HMG-CoA reductaseMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2BC3Z1PPubMed
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...)copy SMILEScopy InChI
Affinity DataKi:  6.80E+4nMAssay Description:Inhibitory constant against HMG-CoA reductase with alpha asaroneMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2BC3Z1PPubMed
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...)copy SMILEScopy InChI
Affinity DataIC50: 49nMAssay Description:Inhibition of HMGCoA reductaseMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2X929Z4PubMed
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...)copy SMILEScopy InChI
Affinity DataIC50: 49nMAssay Description:Inhibition of HMG-CoA reductaseMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2SJ1K9QPubMed
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...)copy SMILEScopy InChI
Affinity DataIC50: 11nMAssay 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))TBA
LigandPNGBDBM50139181((1S,3R,7S,8S,8aR)-8-{2-[(2R,4R)-4-hydroxy-6-oxotet...)copy SMILEScopy InChI
Affinity DataIC50: 0.900nMMore data for this Ligand-Target Pair
In DepthDetails
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...)copy SMILEScopy InChI
Affinity DataIC50: 9.52E+4nMAssay Description:Inhibition of Schizosaccharomyces pombe HMG-CoA reductase by spectrophotometryMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2KW5H0ZPubMed
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...)copy SMILEScopy InChI
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 Article
BindingDB Entry DOI: 10.7270/Q2B56N68PubMed
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...)copy SMILEScopy InChI
Affinity DataIC50: 11.2nMAssay Description:Inhibitory concentration against HMG-CoA reductaseMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2BC3Z1PPubMed
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...)copy SMILEScopy InChI
Affinity DataIC50: 40nMAssay Description:Inhibition of human HMG-CoA reductase after 30 minsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2833TM8PubMed
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...)copy SMILEScopy InChI
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 Article
BindingDB Entry DOI: 10.7270/Q2833TM8PubMed