Reaction Details Report a problem with these data
Target
3-oxo-5-alpha-steroid 4-dehydrogenase 1
Ligand
BDBM50055152
Substrate
n/a
Meas. Tech.
ChEMBL_205199 (CHEMBL817369)
IC50
4900±n/a nM
Citation
 Takami, H; Koshimura, H; Kishibayashi, N; Ishii, A; Nonaka, H; Aoyama, S; Kase, H; Kumazawa, T Indole derivatives as a new class of steroid 5 alpha-reductase inhibitors. J Med Chem 39:5047-52 (1997) [PubMed]  Article 
Target
Name:
3-oxo-5-alpha-steroid 4-dehydrogenase 1
Synonyms:
S5A1_RAT | Srd5a1 | Steroid 5-alpha-reductase | Steroid 5-alpha-reductase 1
Type:
PROTEIN
Mol. Mass.:
29788.29
Organism:
Rattus norvegicus
Description:
ChEMBL_1441437
Residue:
259
Sequence:
MVPLMELDELCLLDMLVYLEGFMAFVSIVGLRSVGSPYGRYSPQWPGIRVPARPAWFIQELPSMAWPLYEYIRPAAARLGNLPNRVLLAMFLIHYVQRTLVFPVLIRGGKPTLLVTFVLAFLFCTFNGYVQSRYLSQFAVYAEDWVTHPCFLTGFALWLVGMVINIHSDHILRNLRKPGETGYKIPRGGLFEYVSAANYFGELVEWCGFALASWSLQGVVFALFTLSTLLTRAKQHHQWYHEKFEDYPKSRKILIPFVL
  
Inhibitor
Name:
BDBM50055152
Synonyms:
4-[2-((E)-3-{1-[Bis-(4-fluoro-phenyl)-methyl]-1H-indol-5-yl}-hex-2-enoylamino)-phenoxy]-butyric acid | CHEMBL343618
Type:
Small organic molecule
Emp. Form.:
C37H34F2N2O4
Mol. Mass.:
608.6737
SMILES:
CCC\C(=C/C(=O)Nc1ccccc1OCCCC(O)=O)c1ccc2n(ccc2c1)C(c1ccc(F)cc1)c1ccc(F)cc1
Structure:
Search PDB for entries with ligand similarity: