Reaction Details Report a problem with these data
Target
17-beta-hydroxysteroid dehydrogenase type 1
Ligand
BDBM50015834
Substrate
n/a
Meas. Tech.
ChEMBL_68137 (CHEMBL680713)
Ki
59000±n/a nM
Citation
 Lawate, SS; Covey, DF Trifluoromethylacetylenic alcohols as affinity labels: inactivation of estradiol dehydrogenase by a trifluoromethylacetylenic secostradiol. J Med Chem 33:2319-21 (1990) [PubMed]  Article 
Target
Name:
17-beta-hydroxysteroid dehydrogenase type 1
Synonyms:
17-beta-HSD 1 | 17-beta-Hydroxysteroid Dehydrogenase 1 (17-beta-HSD1) | 17-beta-hydroxysteroid dehydrogenase type 1 | 20 alpha-hydroxysteroid dehydrogenase | 20-alpha-HSD | DHB1_HUMAN | E17KSR | E2DH | EDH17B1 | EDH17B2 | EDHB17 | Estradiol 17-beta-dehydrogenase 1 | Estradiol 17-beta-dehydrogenase 1 (17beta-HSD1) | HSD17B1 | Placental 17-beta-hydroxysteroid dehydrogenase | SDR28C1
Type:
Enzyme
Mol. Mass.:
34945.13
Organism:
Homo sapiens (Human)
Description:
P14061
Residue:
328
Sequence:
MARTVVLITGCSSGIGLHLAVRLASDPSQSFKVYATLRDLKTQGRLWEAARALACPPGSLETLQLDVRDSKSVAAARERVTEGRVDVLVCNAGLGLLGPLEALGEDAVASVLDVNVVGTVRMLQAFLPDMKRRGSGRVLVTGSVGGLMGLPFNDVYCASKFALEGLCESLAVLLLPFGVHLSLIECGPVHTAFMEKVLGSPEEVLDRTDIHTFHRFYQYLAHSKQVFREAAQNPEEVAEVFLTALRAPKPTLRYFTTERFLPLLRMRLDDPSGSNYVTAMHREVFGDVPAKAEAGAEAGGGAGPGAEDEAGRGAVGDPELGDPPAAPQ
  
Inhibitor
Name:
BDBM50015834
Synonyms:
CHEMBL307621 | Diastereomer-7-Methyl-7-(4,4,4-trifluoro-1-hydroxy-but-2-ynyl)-4b,5,6,7,8,8a,9,10-octahydro-phenanthren-2-ol
Type:
Small organic molecule
Emp. Form.:
C19H21F3O2
Mol. Mass.:
338.364
SMILES:
C[C@@]1(CCC2C(CCc3cc(O)ccc23)C1)C(O)C#CC(F)(F)F
Structure:
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