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Target
17-beta-hydroxysteroid dehydrogenase type 1
Ligand
BDBM50353386
Substrate
n/a
Meas. Tech.
ChEMBL_768820 (CHEMBL1831802)
IC50
>10000±n/a nM
Citation
 Xu, Z; Tice, CM; Zhao, W; Cacatian, S; Ye, YJ; Singh, SB; Lindblom, P; McKeever, BM; Krosky, PM; Kruk, BA; Berbaum, J; Harrison, RK; Johnson, JA; Bukhtiyarov, Y; Panemangalore, R; Scott, BB; Zhao, Y; Bruno, JG; Togias, J; Guo, J; Guo, R; Carroll, PJ; McGeehan, GM; Zhuang, L; He, W; Claremon, DA Structure-based design and synthesis of 1,3-oxazinan-2-one inhibitors of 11ß-hydroxysteroid dehydrogenase type 1. J Med Chem 54:6050-62 (2011) [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:
BDBM50353386
Synonyms:
CHEMBL1829763 | US8592410, 88 | US8592410, Comparator 3 | US8598163, 61
Type:
Small organic molecule
Emp. Form.:
C26H24F3NO3
Mol. Mass.:
455.4689
SMILES:
C[C@H](N1CC[C@@](CCO)(OC1=O)c1ccc(F)cc1)c1ccc(cc1)-c1ccc(F)cc1F |r|
Structure:
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