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Target
17-beta-hydroxysteroid dehydrogenase type 1
Ligand
BDBM50299636
Substrate
n/a
Meas. Tech.
ChEMBL_592404 (CHEMBL1036977)
IC50
402±n/a nM
Citation
 Bey, E; Marchais-Oberwinkler, S; Negri, M; Kruchten, P; Oster, A; Klein, T; Spadaro, A; Werth, R; Frotscher, M; Birk, B; Hartmann, RW New insights into the SAR and binding modes of bis(hydroxyphenyl)thiophenes and -benzenes: influence of additional substituents on 17beta-hydroxysteroid dehydrogenase type 1 (17beta-HSD1) inhibitory activity and selectivity. J Med Chem 52:6724-43 (2009) [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:
BDBM50299636
Synonyms:
4-[5-(3-Hydroxyphenyl)-2-thienyl]benzene-1,2-diol | CHEMBL573003
Type:
Small organic molecule
Emp. Form.:
C16H12O3S
Mol. Mass.:
284.33
SMILES:
Oc1cccc(c1)-c1ccc(s1)-c1ccc(O)c(O)c1
Structure:
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