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Target
17-beta-hydroxysteroid dehydrogenase type 1
Ligand
BDBM50311677
Substrate
n/a
Meas. Tech.
ChEMBL_618686 (CHEMBL1102464)
IC50
85±n/a nM
Citation
 Möller, G; Deluca, D; Gege, C; Rosinus, A; Kowalik, D; Peters, O; Droescher, P; Elger, W; Adamski, J; Hillisch, A Structure-based design, synthesis and in vitro characterization of potent 17beta-hydroxysteroid dehydrogenase type 1 inhibitors based on 2-substitutions of estrone and D-homo-estrone. Bioorg Med Chem Lett 19:6740-4 (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:
BDBM50311677
Synonyms:
(4bR,10bS,12aS)-8-hydroxy-9-methoxy-12a-methyl-2,3,4,4a,5,6,10b,11,12,12a-decahydrochrysen-1(4bH)-one | CHEMBL1076306
Type:
Small organic molecule
Emp. Form.:
C20H26O3
Mol. Mass.:
314.4186
SMILES:
COc1cc2[C@H]3CC[C@@]4(C)[C@@H](CCCC4=O)[C@@H]3CCc2cc1O |r|
Structure:
Search PDB for entries with ligand similarity: