Reaction Details Report a problem with these data
Target
3-oxo-5-alpha-steroid 4-dehydrogenase 1/2
Ligand
BDBM50214639
Substrate
n/a
Meas. Tech.
ChEMBL_158624 (CHEMBL765769)
IC50
1000±n/a nM
Citation
 Yoshida, K; Horikoshi, Y; Eta, M; Chikazawa, J; Ogishima, M; Fukuda, Y; Sato, H Synthesis of benzanilide derivatives as dual acting agents with alpha 1-adrenoceptor antagonistic action and steroid 5-alpha reductase inhibitory activity. Bioorg Med Chem Lett 8:2967-72 (1998) [PubMed]  Article 
Target
Name:
3-oxo-5-alpha-steroid 4-dehydrogenase 1/2
Synonyms:
Steroid 5-alpha-reductase
Type:
n/a
Mol. Mass.:
n/a
Description:
ASSAY_ID of ChEMBL is 204723
Components:
This complex has 2 components.
Component 1
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
  
Component 2
Name:
3-oxo-5-alpha-steroid 4-dehydrogenase 2
Synonyms:
S5A2_RAT | Srd5a2 | Steroid 5-alpha-reductase | Steroid 5-alpha-reductase 2
Type:
PROTEIN
Mol. Mass.:
28784.15
Organism:
Rattus norvegicus
Description:
ChEMBL_205054
Residue:
254
Sequence:
MQIVCHQVPVLAGSATLATMGTLILCLGKPASYGKHTESVSSGVPFLPARIAWFLQELPSFVVSVGMLAWQPRSLFGPPGNVLLALFSAHYFHRTFIYSLLTRGRPFPAVLFLRATAFCIGNGLLQAYYLVYCAEYPEEWYTDVRFSFGVFLFILGMGINIHSDYTLRQLRKPGEVIYRIPRGGLFTYVSGANFLGEIIEWIGYALATWSVPAFAFAFFTLCFLGMQAFYHHRFYLKMFKDYPKSRKALIPFIF
  
Inhibitor
Name:
BDBM50214639
Synonyms:
CHEMBL39209
Type:
Small organic molecule
Emp. Form.:
C37H41N3O6
Mol. Mass.:
623.7379
SMILES:
COc1ccccc1N1CCN(CCC(Oc2ccc(cc2)C(=O)Nc2ccccc2OCCCC(O)=O)c2ccccc2)CC1
Structure:
Search PDB for entries with ligand similarity: