Reaction Details Report a problem with these data
Target
17-beta-hydroxysteroid dehydrogenase type 1
Ligand
BDBM50370696
Substrate
n/a
Meas. Tech.
ChEMBL_333617 (CHEMBL864130)
IC50
510±n/a nM
Citation
 Allan, GM; Lawrence, HR; Cornet, J; Bubert, C; Fischer, DS; Vicker, N; Smith, A; Tutill, HJ; Purohit, A; Day, JM; Mahon, MF; Reed, MJ; Potter, BV Modification of estrone at the 6, 16, and 17 positions: novel potent inhibitors of 17beta-hydroxysteroid dehydrogenase type 1. J Med Chem 49:1325-45 (2006) [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:
BDBM50370696
Synonyms:
CHEMBL1627763
Type:
Small organic molecule
Emp. Form.:
C25H30N2O3
Mol. Mass.:
406.5173
SMILES:
C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC([C@@H]2O)C(=O)NCc1cccnc1
Structure:
Search PDB for entries with ligand similarity: