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Target
17-beta-hydroxysteroid dehydrogenase type 1
Ligand
BDBM50078674
Substrate
n/a
Meas. Tech.
ChEMBL_1471515 (CHEMBL3420078)
IC50
6600±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:
BDBM50078674
Synonyms:
CHEMBL3415431
Type:
Small organic molecule
Emp. Form.:
C33H42N2O5
Mol. Mass.:
546.697
SMILES:
[H][C@@]12C[C@]3(O)[C@@H](N(CCCCCC)C(=O)O[C@]3([H])[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H])c1cccc(c1)C(N)=O |r|
Structure:
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