BDBM50191348 (3alpha,5beta)-3-hydroxyandrostan-17-one::3alpha-etiocholanolone::3alpha-hydroxy-5beta-androstan-17-one::5-isoandrosterone::5beta-androstan-3alpha-ol-17-one::5beta-androsterone::CHEMBL85799::Etiocholanolone

SMILES C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@H](O)CC[C@]34C)[C@@H]1CCC2=O

InChI Key InChIKey=QGXBDMJGAMFCBF-BNSUEQOYSA-N

Data  1 KI  4 IC50  1 Kd  1 EC50

PDB links: 1 PDB ID matches this monomer.

  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 7 hits for monomerid = 50191348   

TargetCorticosteroid-binding globulin(Homo sapiens)
Nippon Zoki Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50191348((3alpha,5beta)-3-hydroxyandrostan-17-one | 3alpha-...)
Affinity DataKi:  5.89E+3nMAssay Description:Binding affinity to human CBG receptor (corticosteroid-binding globulins)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target17-beta-hydroxysteroid dehydrogenase type 3(Homo sapiens (Human))
Centre Hospitalier Universitaire De Qu£Bec And Universit£

Curated by ChEMBL
LigandPNGBDBM50191348((3alpha,5beta)-3-hydroxyandrostan-17-one | 3alpha-...)
Affinity DataIC50:  330nMAssay Description:The ability to inhibit the Type-3 17-beta- hydroxysteroid dehydrogenase activity in transfected human embryonic kidney (HEK)-293 cells experiment 1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target17-beta-hydroxysteroid dehydrogenase type 3(Homo sapiens (Human))
Centre Hospitalier Universitaire De Qu£Bec And Universit£

Curated by ChEMBL
LigandPNGBDBM50191348((3alpha,5beta)-3-hydroxyandrostan-17-one | 3alpha-...)
Affinity DataIC50:  182nMAssay Description:The ability to inhibit the Type-3 17-beta- hydroxysteroid dehydrogenase activity in transfected human embryonic kidney (HEK)-293 cells experiment 3More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSex hormone-binding globulin(Homo sapiens (Human))
University Of British Columbia

Curated by ChEMBL
LigandPNGBDBM50191348((3alpha,5beta)-3-hydroxyandrostan-17-one | 3alpha-...)
Affinity DataKd:  708nMAssay Description:Displacement of [3H]5alpha dihydrotestosterone from human sex hormone binding globulinMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetG-protein coupled bile acid receptor 1(Homo sapiens (Human))
Centre National de la Recherche Scientifique/INSERM/ULP

Curated by ChEMBL
LigandPNGBDBM50191348((3alpha,5beta)-3-hydroxyandrostan-17-one | 3alpha-...)
Affinity DataEC50:  3.76E+3nMAssay Description:Agonist activity at human TGR5 expressed in CHO cells by luciferase assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target17-beta-hydroxysteroid dehydrogenase type 3(Homo sapiens (Human))
Centre Hospitalier Universitaire De Qu£Bec And Universit£

Curated by ChEMBL
LigandPNGBDBM50191348((3alpha,5beta)-3-hydroxyandrostan-17-one | 3alpha-...)
Affinity DataIC50:  330nMAssay Description:Inhibitory concentration against type-3 17-beta-HSD expressed in HEK293 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target17-beta-hydroxysteroid dehydrogenase type 3(Homo sapiens (Human))
Centre Hospitalier Universitaire De Qu£Bec And Universit£

Curated by ChEMBL
LigandPNGBDBM50191348((3alpha,5beta)-3-hydroxyandrostan-17-one | 3alpha-...)
Affinity DataIC50:  330nMAssay Description:Inhibition of type-3 17 beta-hydroxysteroid dehydrogenase expressed in HEK293 cells at 37 degree C pH7.4 More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed