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Target
17-beta-hydroxysteroid dehydrogenase type 1
Ligand
BDBM50515443
Substrate
n/a
Meas. Tech.
ChEMBL_1861098 (CHEMBL4361954)
IC50
2.3±n/a nM
Citation
 Abdelsamie, AS; Salah, M; Siebenbürger, L; Merabet, A; Scheuer, C; Frotscher, M; Müller, ST; Zierau, O; Vollmer, G; Menger, MD; Laschke, MW; van Koppen, CJ; Marchais-Oberwinkler, S; Hartmann, RW Design, Synthesis, and Biological Characterization of Orally Active 17?-Hydroxysteroid Dehydrogenase Type 2 Inhibitors Targeting the Prevention of Osteoporosis. J Med Chem 62:7289-7301 (2019) [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:
BDBM50515443
Synonyms:
CHEMBL4443578
Type:
Small organic molecule
Emp. Form.:
C23H12F5NO4S2
Mol. Mass.:
525.468
SMILES:
Oc1c(F)c(F)cc(C(=O)c2ccc(s2)-c2ccc(F)c(NS(=O)(=O)c3ccc(F)cc3)c2)c1F
Structure:
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