Reaction Details Report a problem with these data
Target
3-oxo-5-alpha-steroid 4-dehydrogenase 1
Ligand
BDBM50070046
Substrate
n/a
Meas. Tech.
ChEBML_204897
IC50
3.4±n/a nM
Citation
 Smith, EC; McQuaid, LA; Goode, RL; McNulty, AM; Neubauer, BL; Rocco, VP; Audia, JE Synthesis and 5 alpha-reductase inhibitory activity of 8-substituted benzo[f]quinolinones derived from palladium mediated coupling reactions. Bioorg Med Chem Lett 8:395-8 (1999) [PubMed]  Article 
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:
BDBM50070046
Synonyms:
(4aR,10bR)-4,10b-Dimethyl-8-((E)-2-quinolin-3-yl-vinyl)-1,4,4a,5,6,10b-hexahydro-2H-benzo[f]quinolin-3-one | CHEMBL130845
Type:
Small organic molecule
Emp. Form.:
C26H26N2O
Mol. Mass.:
382.4974
SMILES:
CN1[C@@H]2CCc3cc(\C=C\c4cnc5ccccc5c4)ccc3[C@@]2(C)CCC1=O
Structure:
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