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Target
17-beta-hydroxysteroid dehydrogenase type 1
Ligand
BDBM50078673
Substrate
n/a
Meas. Tech.
ChEMBL_1471515 (CHEMBL3420078)
IC50
1400±n/a nM
Citation
 Maltais, R; Trottier, A; Delhomme, A; Barbeau, X; Lagüe, P; Poirier, D Identification of fused 16ß,17ß-oxazinone-estradiol derivatives as a new family of non-estrogenic 17ß-hydroxysteroid dehydrogenase type 1 inhibitors. Eur J Med Chem 93:470-80 (2015) [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:
BDBM50078673
Synonyms:
CHEMBL3415436
Type:
Small organic molecule
Emp. Form.:
C31H36N2O4
Mol. Mass.:
500.6285
SMILES:
[H][C@]12OC(=O)N(CCCC)[C@H](C1=C[C@@]1([H])[C@]3([H])CCc4cc(O)ccc4[C@@]3([H])CC[C@]21C)c1cccc(c1)C(N)=O |r,c:12|
Structure:
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