Target
17-beta-hydroxysteroid dehydrogenase type 1
Ligand
BDBM50466012
Substrate
n/a
Meas. Tech.
ChEMBL_1789613 (CHEMBL4261347)
IC50
1.5±n/a nM
Citation
 Siebenbuerger, LHernandez-Olmos, VAbdelsamie, ASFrotscher, Mvan Koppen, CJMarchais-Oberwinkler, SScheuer, CLaschke, MWMenger, MDBoerger, CHartmann, RW Highly Potent 17?-HSD2 Inhibitors with a Promising Pharmacokinetic Profile for Targeted Osteoporosis Therapy. J Med Chem 61:10724-10738 (2018) [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:
BDBM50466012
Synonyms:
CHEMBL4287575
Type:
Small organic molecule
Emp. Form.:
C19H10F3NO2S
Mol. Mass.:
373.348
SMILES:
Oc1c(F)c(F)cc(C(=O)c2ccc(s2)-c2cccc3[nH]ccc23)c1F
Structure:
Search PDB for entries with ligand similarity: