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Target
17-beta-hydroxysteroid dehydrogenase type 1
Ligand
BDBM50311669
Substrate
n/a
Meas. Tech.
ChEMBL_618686 (CHEMBL1102464)
IC50
193±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:
BDBM50311669
Synonyms:
(13S,14S,15S)-3-Hydroxy-2-methoxy-13-methyl-7,11,12,13,15,20-hexahydro-6H,16H-cyclopropa[14,15]cyclopenta[a]phenanthren-17-one | CHEMBL1081172
Type:
Small organic molecule
Emp. Form.:
C20H22O3
Mol. Mass.:
310.3869
SMILES:
COc1cc2C3=C(CCc2cc1O)[C@]12C[C@H]1CC(=O)[C@@]2(C)CC3 |r,c:5|
Structure:
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