Reaction Details
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17-beta-hydroxysteroid dehydrogenase type 1
Ligand
BDBM50126976
Substrate
n/a
Meas. Tech.
ChEMBL_1524155 (CHEMBL3631240)
IC50
2.0±n/a nM
Citation
Abdelsamie, AS; Bey, E; Gargano, EM; van Koppen, CJ; Empting, M; Frotscher, M Towards the evaluation in an animal disease model: Fluorinated 17ß-HSD1 inhibitors showing strong activity towards both the human and the rat enzyme. Eur J Med Chem 103:56-68 (2015) [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:
BDBM50126976
Synonyms:
CHEMBL3629590
Type:
Small organic molecule
Emp. Form.:
C20H15F2NO4S2
Mol. Mass.:
435.464
SMILES:
Oc1ccc(F)c(C(=O)c2ccc(s2)-c2cccc(NS(=O)(=O)C3CC3)c2)c1F
Structure:
