Target
17-beta-hydroxysteroid dehydrogenase type 1
Ligand
BDBM50172493
Substrate
n/a
Meas. Tech.
ChEMBL_321589 (CHEMBL884697)
IC50
110±n/a nM
Citation
 Fischer, DSAllan, GMBubert, CVicker, NSmith, ATutill, HJPurohit, AWood, LPackham, GMahon, MFReed, MJPotter, 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:
BDBM50172493
Synonyms:
(13S)-3-hydroxy-16-(hydroxymethylene)-13-methyl-7,8,9,11,12,13,15,16-octahydro-6H-cyclopenta[a]phenanthren-17(14H)-one | (S)-3-Hydroxy-16-hydroxymethylene-13-methyl-6,7,8,9,11,12,13,14,15,16-decahydro-cyclopenta[a]phenanthren-17-one | CHEMBL369897
Type:
Small organic molecule
Emp. Form.:
C19H22O3
Mol. Mass.:
298.3762
SMILES:
C[C@]12CCC3C(CCc4cc(O)ccc34)C1CC(C=O)C2=O
Structure:
Search PDB for entries with ligand similarity: