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Target
17-beta-hydroxysteroid dehydrogenase type 1
Ligand
BDBM50244365
Substrate
n/a
Meas. Tech.
ChEMBL_555024 (CHEMBL957999)
IC50
19000±n/a nM
Citation
 Schuster, D; Nashev, LG; Kirchmair, J; Laggner, C; Wolber, G; Langer, T; Odermatt, A Discovery of nonsteroidal 17beta-hydroxysteroid dehydrogenase 1 inhibitors by pharmacophore-based screening of virtual compound libraries. J Med Chem 51:4188-99 (2008) [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:
BDBM50244365
Synonyms:
13-Methoxy-3,3-dimethyl-11-(3-methyl-but-2-enyl)-7a,12a-dihydro-3H,7H-benzo[4,5]furo[3,2-c]pyrano[3,2-g]chromen-10-ol | CHEMBL530555
Type:
Small organic molecule
Emp. Form.:
C26H28O5
Mol. Mass.:
420.4975
SMILES:
[#6]-[#8]-c1c2-[#6]=[#6]C([#6])([#6])[#8]-c2cc2-[#8]-[#6]-[#6]-3-[#6](-[#8]-c4c-3ccc(-[#8])c4-[#6]\[#6]=[#6](\[#6])-[#6])-c12 |c:4|
Structure:
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