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Target
3-oxo-5-alpha-steroid 4-dehydrogenase 1
Ligand
BDBM50031894
Substrate
n/a
Meas. Tech.
ChEMBL_204755 (CHEMBL804516)
IC50
60±n/a nM
Citation
 Frye, SV; Haffner, CD; Maloney, PR; Hiner, RN; Dorsey, GF; Noe, RA; Unwalla, RJ; Batchelor, KW; Bramson, HN; Stuart, JD Structure-activity relationships for inhibition of type 1 and 2 human 5 alpha-reductase and human adrenal 3 beta-hydroxy-delta 5-steroid dehydrogenase/3-keto-delta 5-steroid isomerase by 6-azaandrost-4-en-3-ones: optimization of the C17 substituent. J Med Chem 38:2621-7 (1995) [PubMed]
Target
Name:
3-oxo-5-alpha-steroid 4-dehydrogenase 1
Synonyms:
3-oxo-5-alpha-steroid 4-dehydrogenase 1 | 5α-Reductase 1 (5α-R1) | S5A1_HUMAN | S5AR | SR type 1 | SRD5A1 | Steroid 5-alpha-reductase | Steroid 5-alpha-reductase 1
Type:
Enzyme
Mol. Mass.:
29472.80
Organism:
Homo sapiens (Human)
Description:
P18405
Residue:
259
Sequence:
MATATGVAEERLLAALAYLQCAVGCAVFARNRQTNSVYGRHALPSHRLRVPARAAWVVQELPSLALPLYQYASESAPRLRSAPNCILLAMFLVHYGHRCLIYPFLMRGGKPMPLLACTMAIMFCTCNGYLQSRYLSHCAVYADDWVTDPRFLIGFGLWLTGMLINIHSDHILRNLRKPGDTGYKIPRGGLFEYVTAANYFGEIMEWCGYALASWSVQGAAFAFFTFCFLSGRAKEHHEWYLRKFEEYPKFRKIIIPFLF
  
Inhibitor
Name:
BDBM50031894
Synonyms:
(10R,13S,17S)-17-[1-(4-Chloro-phenyl)-cyclopentylcarbamoyl]-10,13-dimethyl-2,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3-carboxylic acid | CHEMBL86418
Type:
Small organic molecule
Emp. Form.:
C32H40ClNO3
Mol. Mass.:
522.118
SMILES:
C[C@]12CCC3C(CC=C4C=C(CC[C@]34C)C(O)=O)C1CC[C@@H]2C(=O)NC1(CCCC1)c1ccc(Cl)cc1 |c:9,t:7|
Structure:
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