BDBM50170651 (3S,8R,9S,10R,13S,14S)-3-(2-Diethylamino-ethoxy)-10,13-dimethyl-1,2,3,4,7,8,9,10,11,12,13,14,15,16-tetradecahydro-cyclopenta[a]phenanthren-17-one::CHEMBL365141

SMILES CCN(CC)CCO[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CCC4=O)[C@@H]3CC=C2C1

InChI Key InChIKey=DMZCCFMMPHJWQY-UHFFFAOYSA-N

Data  5 KI

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50170651   

TargetC-8 sterol isomerase ERG2(Baker's yeast)
University of Innsbruck

Curated by ChEMBL
LigandPNGBDBM50170651((3S,8R,9S,10R,13S,14S)-3-(2-Diethylamino-ethoxy)-1...)
Affinity DataKi:  0.200nMAssay Description:Affinity for ERG2 of Saccharomyces cerevisiae using [3H]ifenprodil or (+)-[3H]pentazocine radioligandMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetSigma non-opioid intracellular receptor 1(Human)
University of Innsbruck

Curated by ChEMBL
LigandPNGBDBM50170651((3S,8R,9S,10R,13S,14S)-3-(2-Diethylamino-ethoxy)-1...)
Affinity DataKi:  1nMAssay Description:Affinity for sigma receptor type 1 of guinea pig using [3H]ifenprodil or (+)-[3H]pentazocine radioligandMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
Target3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase(Human)
University of Innsbruck

Curated by ChEMBL
LigandPNGBDBM50170651((3S,8R,9S,10R,13S,14S)-3-(2-Diethylamino-ethoxy)-1...)
Affinity DataKi:  2nMAssay Description:Affinity for human EMP expressed in ERG2 deficient strain of Saccharomyces cerevisiae using [3H]ifenprodil or (+)-[3H]pentazocine as radioligandMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetOxysterol-binding protein 2(Human)
University of Oklahoma

Curated by ChEMBL
LigandPNGBDBM50170651((3S,8R,9S,10R,13S,14S)-3-(2-Diethylamino-ethoxy)-1...)
Affinity DataKi: >5.00E+4nMAssay Description:Displacement of [3H]-25-OHC from human ORP4 overexpressed in HEK293T cell lysate assessed as inhibition constant by competitive binding assayMore data for this Ligand-Target Pair
In DepthDetails
PubMed
TargetOxysterol-binding protein 1(Homo sapiens)
University of Oklahoma

Curated by ChEMBL
LigandPNGBDBM50170651((3S,8R,9S,10R,13S,14S)-3-(2-Diethylamino-ethoxy)-1...)
Affinity DataKi: >1.00E+5nMAssay Description:Displacement of [3H]-25-OHC from human OSBP overexpressed in HEK293T cell lysate assessed as inhibition constant by competitive binding assayMore data for this Ligand-Target Pair
In DepthDetails
PubMed