Reaction Details
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17-beta-hydroxysteroid dehydrogenase type 1
Ligand
BDBM50357464
Substrate
n/a
Meas. Tech.
ChEMBL_787298 (CHEMBL1919076)
IC50
926±n/a nM
Citation
Wetzel, M; Marchais-Oberwinkler, S; Perspicace, E; Möller, G; Adamski, J; Hartmann, RW Introduction of an electron withdrawing group on the hydroxyphenylnaphthol scaffold improves the potency of 17ß-hydroxysteroid dehydrogenase type 2 (17ß-HSD2) inhibitors. J Med Chem 54:7547-57 (2011) [PubMed] Article More Info.:
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:
BDBM50357464
Synonyms:
CHEMBL1917895
Type:
Small organic molecule
Emp. Form.:
C17H11F3O2
Mol. Mass.:
304.2632
SMILES:
Oc1ccc(-c2ccc3c(O)cccc3c2)c(c1)C(F)(F)F
Structure:
