BDBM50031890 (10R,13S)-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::(10R,13S,17S)-17-Diisopropylcarbamoyl-10,13-dimethyl-2,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3-carboxylic acid::(10R,13S,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::(10R,14S)-17-tert-Butylcarbamoyl-10-methyl-13-(S)-methyl-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::CHEMBL290823::EPRISTERIDE::Epristeride
SMILES: [H][C@@]12CC[C@H](C(=O)NC(C)(C)C)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C=C(CC[C@]12C)C(O)=O
InChI Key: InChIKey=VAPSMQAHNAZRKC-PQWRYPMOSA-N
Data: 2 IC50
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
5α-Reductase 1 (5α-R1) (Homo sapiens (Human)) | BDBM50031890 ((10R,13S)-17-tert-Butylcarbamoyl-10,13-dimethyl-2,...) | UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 7.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories Curated by ChEMBL | Assay Description In vitro inhibition of DHT production in Hs 68 (human genital fibroblast) cells. | J Med Chem 36: 421-3 (1993) BindingDB Entry DOI: 10.7270/Q2T43TQX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Steroid 5-alpha-reductase (Homo sapiens (Human)) | BDBM50031890 ((10R,13S)-17-tert-Butylcarbamoyl-10,13-dimethyl-2,...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories Curated by ChEMBL | Assay Description Compound was tested for inhibition of Type II 5-alpha-reductase in Human Prostate Homogenates (HPH) | J Med Chem 36: 421-3 (1993) BindingDB Entry DOI: 10.7270/Q2T43TQX | |||||||||||
More data for this Ligand-Target Pair |