BDBM50063478 (10R,13S)-10,13-Dimethyl-17-[1,2,4]triazol-1-yl-1,2,6,7,8,9,10,11,12,13,14,15-dodecahydro-cyclopenta[a]phenanthren-3-one::CHEMBL307729

SMILES C[C@]12CCC3C(CCC4=CC(=O)CC[C@]34C)C1CC=C2n1cncn1

InChI Key InChIKey=OPPZNEHAUJDDQH-CEJNIXRPSA-N

Data  1 KI  3 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50063478   

TargetSteroid 17-alpha-hydroxylase/17,20 lyase(Homo sapiens (Human))
University Of Maryland

Curated by ChEMBL
LigandPNGBDBM50063478((10R,13S)-10,13-Dimethyl-17-[1,2,4]triazol-1-yl-1,...)
Affinity DataKi:  41nMAssay Description:Binding affinity for Cytochrome P450 17A1 (17-alpha-hydroxypregnenolone Km=560 nM)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSteroid 17-alpha-hydroxylase/17,20 lyase(Homo sapiens (Human))
University Of Maryland

Curated by ChEMBL
LigandPNGBDBM50063478((10R,13S)-10,13-Dimethyl-17-[1,2,4]triazol-1-yl-1,...)
Affinity DataIC50:  1.20E+3nMAssay Description:In vitro cytochrome P450 17A1 inhibition was assayed using the rapid acetic acid releasing assay (AARA), utilizing intact P450c17-expressing Escheric...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSteroid 17-alpha-hydroxylase/17,20 lyase(Rattus norvegicus (Rat))
University Of Maryland

Curated by ChEMBL
LigandPNGBDBM50063478((10R,13S)-10,13-Dimethyl-17-[1,2,4]triazol-1-yl-1,...)
Affinity DataIC50:  11nMAssay Description:Inhibition of rat Cytochrome P450 17A1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSteroid 17-alpha-hydroxylase/17,20 lyase(Homo sapiens (Human))
University Of Maryland

Curated by ChEMBL
LigandPNGBDBM50063478((10R,13S)-10,13-Dimethyl-17-[1,2,4]triazol-1-yl-1,...)
Affinity DataIC50:  55nMAssay Description:Inhibition of human testicular microsomal Cytochrome P450 17A1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed