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Target
17-beta-hydroxysteroid dehydrogenase type 1
Ligand
BDBM50172500
Substrate
n/a
Meas. Tech.
ChEMBL_321589 (CHEMBL884697)
IC50
880±n/a nM
Citation
 Fischer, DS; Allan, GM; Bubert, C; Vicker, N; Smith, A; Tutill, HJ; Purohit, A; Wood, L; Packham, G; Mahon, MF; Reed, MJ; Potter, BV E-ring modified steroids as novel potent inhibitors of 17beta-hydroxysteroid dehydrogenase type 1. J Med Chem 48:5749-70 (2005) [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:
BDBM50172500
Synonyms:
(S)-2-Hydroxy-6a-methyl-4b,5,6,6a,8,10,10a,10b,11,12-decahydro-7,8-diaza-pentaleno[2,1-a]phenanthrene-9-carboxylic acid (pyridin-2-ylmethyl)-amide | CHEMBL438624
Type:
Small organic molecule
Emp. Form.:
C26H28N4O2
Mol. Mass.:
428.5261
SMILES:
C[C@]12CCC3C(CCc4cc(O)ccc34)C1Cc1c([nH]nc21)C(=O)NCc1ccccn1
Structure:
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