BDBM50043604 (8S,9S,10R,13S,14S,17S)-17-(tert-butylcarbamoyl)-10,13-dimethyl-2,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3-carboxylic acid::17-tert-Butylcarbamoyl-10,13-dimethyl-2,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3-carboxylic acid::CHEMBL138225::Epristeride

SMILES CC(C)(C)NC(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C=C(CC[C@]4(C)[C@H]3CC[C@]12C)C(O)=O

InChI Key InChIKey=VAPSMQAHNAZRKC-PQWRYPMOSA-N

Data  8 KI  11 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 19 hits for monomerid = 50043604   

Target3-oxo-5-alpha-steroid 4-dehydrogenase 2(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50043604((8S,9S,10R,13S,14S,17S)-17-(tert-butylcarbamoyl)-1...)
Affinity DataKi:  0.200nMAssay Description:Apparent inhibition constant towards human Steroid 5-alpha-reductase type 2More data for this Ligand-Target Pair
In DepthDetails Article
Target3-oxo-5-alpha-steroid 4-dehydrogenase 2(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50043604((8S,9S,10R,13S,14S,17S)-17-(tert-butylcarbamoyl)-1...)
Affinity DataKi:  0.200nMAssay Description:Inhibition of type-2 human steroid 5-alpha-reductase.More data for this Ligand-Target Pair
In DepthDetails Article
Target3-oxo-5-alpha-steroid 4-dehydrogenase 1/2(Rattus norvegicus)
Smith Kline & French Laboratories

Curated by ChEMBL
LigandPNGBDBM50043604((8S,9S,10R,13S,14S,17S)-17-(tert-butylcarbamoyl)-1...)
Affinity DataKi:  20nMAssay Description:In vitro inhibitory activity against Steroid 5-alpha-reductase was determined in rat ventral prostates expressed as apparent inhibition constant; Ran...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target3-oxo-5-alpha-steroid 4-dehydrogenase 2(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50043604((8S,9S,10R,13S,14S,17S)-17-(tert-butylcarbamoyl)-1...)
Affinity DataKi:  30nMAssay Description:In vitro inhibitory activity against Steroid 5-alpha-reductase was determined in human prostatic tissue expressed as apparent inhibition constant; Ra...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target3-oxo-5-alpha-steroid 4-dehydrogenase 1(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50043604((8S,9S,10R,13S,14S,17S)-17-(tert-butylcarbamoyl)-1...)
Affinity DataKi:  410nMAssay Description:Apparent inhibition constant towards human Steroid 5-alpha-reductase type IMore data for this Ligand-Target Pair
In DepthDetails Article
Target3-oxo-5-alpha-steroid 4-dehydrogenase 1(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50043604((8S,9S,10R,13S,14S,17S)-17-(tert-butylcarbamoyl)-1...)
Affinity DataKi:  410nMAssay Description:Inhibition of type-1 human steroid 5-alpha-reductaseMore data for this Ligand-Target Pair
In DepthDetails Article
Target3-oxo-5-alpha-steroid 4-dehydrogenase 1(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50043604((8S,9S,10R,13S,14S,17S)-17-(tert-butylcarbamoyl)-1...)
Affinity DataKi:  1.60E+3nMAssay Description:In vitro inhibitory activity against human type 1 5-alpha reductaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target3-oxo-5-alpha-steroid 4-dehydrogenase 1(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50043604((8S,9S,10R,13S,14S,17S)-17-(tert-butylcarbamoyl)-1...)
Affinity DataKi: >5.00E+3nMAssay Description:Inhibition of recombinant human 5-alpha reductase-1 at a concentration of 5 microL after preincubation for 10 minutesMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target3-oxo-5-alpha-steroid 4-dehydrogenase 2(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50043604((8S,9S,10R,13S,14S,17S)-17-(tert-butylcarbamoyl)-1...)
Affinity DataIC50:  0.180nMAssay Description:In vitro inhibitory activity against human type 2 5-alpha reductaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target3-oxo-5-alpha-steroid 4-dehydrogenase 1(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50043604((8S,9S,10R,13S,14S,17S)-17-(tert-butylcarbamoyl)-1...)
Affinity DataIC50:  1.10E+3nMAssay Description:Inhibitory concentration of the compound against human Steroid 5-alpha-reductase type I in DU 145 cell culture using 3H androstenedione 5 nM as subs...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target3-oxo-5-alpha-steroid 4-dehydrogenase 1(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50043604((8S,9S,10R,13S,14S,17S)-17-(tert-butylcarbamoyl)-1...)
Affinity DataIC50:  1.60E+3nMAssay Description:Inhibition of recombinant Steroid 5-alpha-reductase type I was evaluated as binding affinity of the compoundMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target3-oxo-5-alpha-steroid 4-dehydrogenase 2(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50043604((8S,9S,10R,13S,14S,17S)-17-(tert-butylcarbamoyl)-1...)
Affinity DataIC50:  0.180nMAssay Description:Inhibitory activity measured on human steroid 5-alpha-reductase type 2More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target3-oxo-5-alpha-steroid 4-dehydrogenase 2(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50043604((8S,9S,10R,13S,14S,17S)-17-(tert-butylcarbamoyl)-1...)
Affinity DataIC50:  0.600nMAssay Description:Inhibition of type 2 steroid-5-alpha-reductaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target3-oxo-5-alpha-steroid 4-dehydrogenase 1(Rattus norvegicus)
UniversitäT Des Saarlandes

Curated by ChEMBL
LigandPNGBDBM50043604((8S,9S,10R,13S,14S,17S)-17-(tert-butylcarbamoyl)-1...)
Affinity DataIC50:  45nMAssay Description:Inhibitory activity against rat Steroid 5-alpha-reductase type I using 18213 3H testosterone 210 nM as substrateMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target3-oxo-5-alpha-steroid 4-dehydrogenase 1(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50043604((8S,9S,10R,13S,14S,17S)-17-(tert-butylcarbamoyl)-1...)
Affinity DataIC50: >1.00E+3nMAssay Description:Inhibition of recombinant human Steroid 5-alpha-reductase type IMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target3-oxo-5-alpha-steroid 4-dehydrogenase 2(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50043604((8S,9S,10R,13S,14S,17S)-17-(tert-butylcarbamoyl)-1...)
Affinity DataIC50:  0.600nMAssay Description:Inhibition of recombinant human Steroid 5-alpha-reductase type 2More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target3-oxo-5-alpha-steroid 4-dehydrogenase 2(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50043604((8S,9S,10R,13S,14S,17S)-17-(tert-butylcarbamoyl)-1...)
Affinity DataIC50:  30nMAssay Description:Inhibition of recombinant human 5-alpha reductase-2 at a concentration of 5 microL after preincubation for 10 minutesMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target3-oxo-5-alpha-steroid 4-dehydrogenase 2(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50043604((8S,9S,10R,13S,14S,17S)-17-(tert-butylcarbamoyl)-1...)
Affinity DataIC50:  3nMAssay Description:Inhibitory activity against human Steroid 5-alpha-reductase type 2 using 18213 3H testosterone 210 nM as substrateMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target3-oxo-5-alpha-steroid 4-dehydrogenase 1(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50043604((8S,9S,10R,13S,14S,17S)-17-(tert-butylcarbamoyl)-1...)
Affinity DataIC50: >1.00E+3nMAssay Description:Inhibition of type 1 steroid-5-alpha-reductaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed