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
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
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Steroid 5-alpha-reductase (Homo sapiens (Human)) | BDBM50043604![]() ((8S,9S,10R,13S,14S,17S)-17-(tert-butylcarbamoyl)-1...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Patents | Article | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Apparent inhibition constant towards human Steroid 5-alpha-reductase type 2 | Bioorg Med Chem Lett 4: 2327-2330 (1994) Article DOI: 10.1016/0960-894X(94)85034-8 BindingDB Entry DOI: 10.7270/Q25Q4X8P | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Steroid 5-alpha-reductase (Homo sapiens (Human)) | BDBM50043604![]() ((8S,9S,10R,13S,14S,17S)-17-(tert-butylcarbamoyl)-1...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Patents | Article | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibition of type-2 human steroid 5-alpha-reductase. | Bioorg Med Chem Lett 6: 481-484 (1996) Article DOI: 10.1016/0960-894X(96)00054-6 BindingDB Entry DOI: 10.7270/Q2BZ661K | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Steroid 5-alpha-reductase (Rattus norvegicus) | BDBM50043604![]() ((8S,9S,10R,13S,14S,17S)-17-(tert-butylcarbamoyl)-1...) | MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Patents | PubMed | 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Smith Kline & French Laboratories Curated by ChEMBL | J Med Chem 33: 943-50 (1990) BindingDB Entry DOI: 10.7270/Q25D8QSB | ||||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Steroid 5-alpha-reductase (Homo sapiens (Human)) | BDBM50043604![]() ((8S,9S,10R,13S,14S,17S)-17-(tert-butylcarbamoyl)-1...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Patents | PubMed | 30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Smith Kline & French Laboratories Curated by ChEMBL | Assay Description In vitro inhibitory activity against Steroid 5-alpha-reductase was determined in human prostatic tissue expressed as apparent inhibition constant; Ra... | J Med Chem 33: 943-50 (1990) BindingDB Entry DOI: 10.7270/Q25D8QSB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
5α-Reductase 1 (5α-R1) (Homo sapiens (Human)) | BDBM50043604![]() ((8S,9S,10R,13S,14S,17S)-17-(tert-butylcarbamoyl)-1...) | UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Patents | Article | 410 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Apparent inhibition constant towards human Steroid 5-alpha-reductase type I | Bioorg Med Chem Lett 4: 2327-2330 (1994) Article DOI: 10.1016/0960-894X(94)85034-8 BindingDB Entry DOI: 10.7270/Q25Q4X8P | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
5α-Reductase 1 (5α-R1) (Homo sapiens (Human)) | BDBM50043604![]() ((8S,9S,10R,13S,14S,17S)-17-(tert-butylcarbamoyl)-1...) | UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Patents | Article | 410 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibition of type-1 human steroid 5-alpha-reductase | Bioorg Med Chem Lett 6: 481-484 (1996) Article DOI: 10.1016/0960-894X(96)00054-6 BindingDB Entry DOI: 10.7270/Q2BZ661K | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
5α-Reductase 1 (5α-R1) (Homo sapiens (Human)) | BDBM50043604![]() ((8S,9S,10R,13S,14S,17S)-17-(tert-butylcarbamoyl)-1...) | UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Patents | PubMed | 1.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Inc. Research Institute Curated by ChEMBL | Assay Description In vitro inhibitory activity against human type 1 5-alpha reductase | J Med Chem 37: 2352-60 (1994) BindingDB Entry DOI: 10.7270/Q228088W | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
5α-Reductase 1 (5α-R1) (Homo sapiens (Human)) | BDBM50043604![]() ((8S,9S,10R,13S,14S,17S)-17-(tert-butylcarbamoyl)-1...) | UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Patents | PubMed | >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Inc. Research Institute Curated by ChEMBL | Assay Description Inhibition of recombinant human 5-alpha reductase-1 at a concentration of 5 microL after preincubation for 10 minutes | J Med Chem 36: 4313-5 (1994) BindingDB Entry DOI: 10.7270/Q2PK0F76 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Steroid 5-alpha-reductase (Homo sapiens (Human)) | BDBM50043604![]() ((8S,9S,10R,13S,14S,17S)-17-(tert-butylcarbamoyl)-1...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Patents | PubMed | n/a | n/a | 0.180 | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Inc. Research Institute Curated by ChEMBL | Assay Description In vitro inhibitory activity against human type 2 5-alpha reductase | J Med Chem 37: 2352-60 (1994) BindingDB Entry DOI: 10.7270/Q228088W | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
5α-Reductase 1 (5α-R1) (Homo sapiens (Human)) | BDBM50043604![]() ((8S,9S,10R,13S,14S,17S)-17-(tert-butylcarbamoyl)-1...) | UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Patents | PubMed | n/a | n/a | 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universität des Saarlandes Curated by ChEMBL | Assay 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... | Bioorg Med Chem Lett 9: 1601-6 (1999) BindingDB Entry DOI: 10.7270/Q2P84B24 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
5α-Reductase 1 (5α-R1) (Homo sapiens (Human)) | BDBM50043604![]() ((8S,9S,10R,13S,14S,17S)-17-(tert-butylcarbamoyl)-1...) | UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Patents | PubMed | n/a | n/a | 1.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Inc. Research Institute Curated by ChEMBL | Assay Description Inhibition of recombinant Steroid 5-alpha-reductase type I was evaluated as binding affinity of the compound | J Med Chem 38: 2621-7 (1995) BindingDB Entry DOI: 10.7270/Q2C829XC | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Steroid 5-alpha-reductase (Homo sapiens (Human)) | BDBM50043604![]() ((8S,9S,10R,13S,14S,17S)-17-(tert-butylcarbamoyl)-1...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Patents | PubMed | n/a | n/a | 0.180 | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Inc. Research Institute Curated by ChEMBL | Assay Description Inhibitory activity measured on human steroid 5-alpha-reductase type 2 | J Med Chem 38: 2621-7 (1995) BindingDB Entry DOI: 10.7270/Q2C829XC | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Steroid 5-alpha-reductase (Homo sapiens (Human)) | BDBM50043604![]() ((8S,9S,10R,13S,14S,17S)-17-(tert-butylcarbamoyl)-1...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Patents | PubMed | n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Inhibition of type 2 steroid-5-alpha-reductase | J Med Chem 37: 3871-4 (1994) BindingDB Entry DOI: 10.7270/Q2K35V8R | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Steroid 5-alpha-reductase (Rattus norvegicus) | BDBM50043604![]() ((8S,9S,10R,13S,14S,17S)-17-(tert-butylcarbamoyl)-1...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Patents | PubMed | n/a | n/a | 45 | n/a | n/a | n/a | n/a | n/a | n/a |
Universität des Saarlandes Curated by ChEMBL | Assay Description Inhibitory activity against rat Steroid 5-alpha-reductase type I using 18213 3H testosterone 210 nM as substrate | Bioorg Med Chem Lett 9: 1601-6 (1999) BindingDB Entry DOI: 10.7270/Q2P84B24 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
5α-Reductase 1 (5α-R1) (Homo sapiens (Human)) | BDBM50043604![]() ((8S,9S,10R,13S,14S,17S)-17-(tert-butylcarbamoyl)-1...) | UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Patents | PubMed | n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Inhibition of recombinant human Steroid 5-alpha-reductase type I | J Med Chem 38: 3189-92 (1995) BindingDB Entry DOI: 10.7270/Q2G161G8 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Steroid 5-alpha-reductase (Homo sapiens (Human)) | BDBM50043604![]() ((8S,9S,10R,13S,14S,17S)-17-(tert-butylcarbamoyl)-1...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Patents | PubMed | n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Inhibition of recombinant human Steroid 5-alpha-reductase type 2 | J Med Chem 38: 3189-92 (1995) BindingDB Entry DOI: 10.7270/Q2G161G8 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Steroid 5-alpha-reductase (Homo sapiens (Human)) | BDBM50043604![]() ((8S,9S,10R,13S,14S,17S)-17-(tert-butylcarbamoyl)-1...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Patents | PubMed | n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Inc. Research Institute Curated by ChEMBL | Assay Description Inhibition of recombinant human 5-alpha reductase-2 at a concentration of 5 microL after preincubation for 10 minutes | J Med Chem 36: 4313-5 (1994) BindingDB Entry DOI: 10.7270/Q2PK0F76 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Steroid 5-alpha-reductase (Homo sapiens (Human)) | BDBM50043604![]() ((8S,9S,10R,13S,14S,17S)-17-(tert-butylcarbamoyl)-1...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Patents | PubMed | n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universität des Saarlandes Curated by ChEMBL | Assay Description Inhibitory activity against human Steroid 5-alpha-reductase type 2 using 18213 3H testosterone 210 nM as substrate | Bioorg Med Chem Lett 9: 1601-6 (1999) BindingDB Entry DOI: 10.7270/Q2P84B24 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
5α-Reductase 1 (5α-R1) (Homo sapiens (Human)) | BDBM50043604![]() ((8S,9S,10R,13S,14S,17S)-17-(tert-butylcarbamoyl)-1...) | UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Patents | PubMed | n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Inhibition of type 1 steroid-5-alpha-reductase | J Med Chem 37: 3871-4 (1994) BindingDB Entry DOI: 10.7270/Q2K35V8R | |||||||||||
More data for this Ligand-Target Pair |