BDBM50188385 (2S,4aS,6aS,6bR,8aR,10S,12aS,12bR,14bR)-10-acetoxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-2-carboxylic acid::(3beta,18beta,20beta)-3-(Acetyloxy)-11-oxo-olean-12-en-29-oic acid::CHEMBL207413

SMILES CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2C(=O)C=C2[C@@H]4C[C@](C)(CC[C@]4(C)CC[C@@]32C)C(O)=O)C1(C)C

InChI Key InChIKey=FTQDJVZNPJRVPG-XWEVEMRCSA-N

Data  12 IC50

  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 12 hits for monomerid = 50188385   

Target17-beta-hydroxysteroid dehydrogenase type 1(Homo sapiens (Human))
University Of Innsbruck

Curated by ChEMBL
LigandPNGBDBM50188385((2S,4aS,6aS,6bR,8aR,10S,12aS,12bR,14bR)-10-acetoxy...)
Affinity DataIC50:  1.88E+4nMAssay Description:Inhibition of human recombinant 17betaHSD1 expressed in HEK293 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target11-beta-hydroxysteroid dehydrogenase 1(Homo sapiens (Human))
University Of Innsbruck

Curated by ChEMBL
LigandPNGBDBM50188385((2S,4aS,6aS,6bR,8aR,10S,12aS,12bR,14bR)-10-acetoxy...)
Affinity DataIC50:  3.45E+3nMAssay Description:Inhibition of human recombinant 11-beta-HSD1 transfected in intact HEK293 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedMMDB

Target11-beta-hydroxysteroid dehydrogenase type 2(Homo sapiens (Human))
University Of Innsbruck

Curated by ChEMBL
LigandPNGBDBM50188385((2S,4aS,6aS,6bR,8aR,10S,12aS,12bR,14bR)-10-acetoxy...)
Affinity DataIC50:  6.43E+3nMAssay Description:Inhibition of human recombinant 11betaHSD2 transfected in intact HEK293 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target11-beta-hydroxysteroid dehydrogenase type 2(Homo sapiens (Human))
University Of Innsbruck

Curated by ChEMBL
LigandPNGBDBM50188385((2S,4aS,6aS,6bR,8aR,10S,12aS,12bR,14bR)-10-acetoxy...)
Affinity DataIC50:  201nMAssay Description:Inhibition of human recombinant 11betaHSD2 transfected in intact HEK293 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target17-beta-hydroxysteroid dehydrogenase type 2(Homo sapiens (Human))
University Of Innsbruck

Curated by ChEMBL
LigandPNGBDBM50188385((2S,4aS,6aS,6bR,8aR,10S,12aS,12bR,14bR)-10-acetoxy...)
Affinity DataIC50:  3.78E+3nMAssay Description:Inhibition of human recombinant 17-beta-HSD2 expressed in HEK293 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target11-beta-hydroxysteroid dehydrogenase type 2(Homo sapiens (Human))
University Of Innsbruck

Curated by ChEMBL
LigandPNGBDBM50188385((2S,4aS,6aS,6bR,8aR,10S,12aS,12bR,14bR)-10-acetoxy...)
Affinity DataIC50:  750nMAssay Description:Inhibition of human 11beta-HSD2 expressed in HEK293 cells assessed as conversion of [1,2,6,7-[3H]cortisol to cortisone after 10 mins by scintillation...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetLiver carboxylesterase 1(Homo sapiens (Human))
Dalian Institute Of Chemical Physics

Curated by ChEMBL
LigandPNGBDBM50188385((2S,4aS,6aS,6bR,8aR,10S,12aS,12bR,14bR)-10-acetoxy...)
Affinity DataIC50:  4.99E+4nMAssay Description:Inhibition of CE1 in human liver microsomes using 2-(2-Benzoyl-3-methoxyphenyl) benzothiazole as substrate preincubated for 10 mins followed by subst...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCocaine esterase(Homo sapiens (Human))
Dalian Institute Of Chemical Physics

Curated by ChEMBL
LigandPNGBDBM50188385((2S,4aS,6aS,6bR,8aR,10S,12aS,12bR,14bR)-10-acetoxy...)
Affinity DataIC50:  4.05E+4nMAssay Description:Inhibition of CE2 in human liver microsomes using fluorescein diacetate as substrate preincubated for 10 mins followed by substrate addition measured...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target11-beta-hydroxysteroid dehydrogenase type 2(Homo sapiens (Human))
University Of Innsbruck

Curated by ChEMBL
LigandPNGBDBM50188385((2S,4aS,6aS,6bR,8aR,10S,12aS,12bR,14bR)-10-acetoxy...)
Affinity DataIC50:  750nMAssay Description:Inhibition of human recombinant 11beta-HSD2 expressed in HEK293 cells assessed as conversion of [1,2,6,7-3H]-cortisol to cortisone by scintillation c...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target11-beta-hydroxysteroid dehydrogenase 1(Homo sapiens (Human))
University Of Innsbruck

Curated by ChEMBL
LigandPNGBDBM50188385((2S,4aS,6aS,6bR,8aR,10S,12aS,12bR,14bR)-10-acetoxy...)
Affinity DataIC50:  7.14E+3nMAssay Description:Inhibition of human recombinant 11beta-HSD1 expressed in HEK293 cells assessed as conversion of [1,2-3H]-cortisone to cortisol by scintillation count...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedMMDB

Target11-beta-hydroxysteroid dehydrogenase 1(Homo sapiens (Human))
University Of Innsbruck

Curated by ChEMBL
LigandPNGBDBM50188385((2S,4aS,6aS,6bR,8aR,10S,12aS,12bR,14bR)-10-acetoxy...)
Affinity DataIC50:  7.10E+3nMAssay Description:Inhibition of human recombinant 11beta-HSD1 expressed in HEK293 cells assessed as conversion of [1,2-[3H]cortisone to cortisol after 10 mins by scint...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedMMDB

Target11-beta-hydroxysteroid dehydrogenase 1(Homo sapiens (Human))
University Of Innsbruck

Curated by ChEMBL
LigandPNGBDBM50188385((2S,4aS,6aS,6bR,8aR,10S,12aS,12bR,14bR)-10-acetoxy...)
Affinity DataIC50:  800nMAssay Description:Inhibition of human recombinant 11betaHSD1 expressed in HEK293 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedMMDB