Reaction Details Report a problem with these data
Target
3-oxo-5-alpha-steroid 4-dehydrogenase 1/2
Ligand
BDBM50025436
Substrate
n/a
Meas. Tech.
ChEMBL_204598 (CHEMBL813360)
IC50
500±n/a nM
Citation
 Rasmusson, GH; Reynolds, GF; Steinberg, NG; Walton, E; Patel, GF; Liang, T; Cascieri, MA; Cheung, AH; Brooks, JR; Berman, C Azasteroids: structure-activity relationships for inhibition of 5 alpha-reductase and of androgen receptor binding. J Med Chem 29:2298-315 (1986) [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:
BDBM50025436
Synonyms:
1,4a,6a-Trimethyl-2-oxo-hexadecahydro-3-oxa-1-aza-chrysene-7-carboxylic acid diethylamide | CHEMBL3349166
Type:
Small organic molecule
Emp. Form.:
C24H40N2O3
Mol. Mass.:
404.586
SMILES:
[H][C@@]12CC[C@@]3([H])[C@]4([H])CCC[C@H](C(=O)N(CC)CC)[C@@]4(C)CC[C@]3([H])[C@@]1(C)COC(=O)N2C
Structure:
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