Reaction Details Report a problem with these data
Target
17-beta-hydroxysteroid dehydrogenase type 3
Ligand
BDBM50179932
Substrate
n/a
Meas. Tech.
ChEMBL_340362 (CHEMBL864403)
IC50
5±n/a nM
Citation
 Fink, BE; Gavai, AV; Tokarski, JS; Goyal, B; Misra, R; Xiao, HY; Kimball, SD; Han, WC; Norris, D; Spires, TE; You, D; Gottardis, MM; Lorenzi, MV; Vite, GD Identification of a novel series of tetrahydrodibenzazocines as inhibitors of 17beta-hydroxysteroid dehydrogenase type 3. Bioorg Med Chem Lett 16:1532-6 (2006) [PubMed]  Article 
Target
Name:
17-beta-hydroxysteroid dehydrogenase type 3
Synonyms:
17-beta-hydroxysteroid dehydrogenase type 3 | DHB3_HUMAN | EDH17B3 | Estradiol 17-beta-dehydrogenase 3 | HSD17B3 | SDR12C2
Type:
Enzyme
Mol. Mass.:
34525.39
Organism:
Homo sapiens (Human)
Description:
P37058
Residue:
310
Sequence:
MGDVLEQFFILTGLLVCLACLAKCVRFSRCVLLNYWKVLPKSFLRSMGQWAVITGAGDGIGKAYSFELAKRGLNVVLISRTLEKLEAIATEIERTTGRSVKIIQADFTKDDIYEHIKEKLAGLEIGILVNNVGMLPNLLPSHFLNAPDEIQSLIHCNITSVVKMTQLILKHMESRQKGLILNISSGIALFPWPLYSMYSASKAFVCAFSKALQEEYKAKEVIIQVLTPYAVSTAMTKYLNTNVITKTADEFVKESLNYVTIGGETCGCLAHEILAGFLSLIPAWAFYSGAFQRLLLTHYVAYLKLNTKVR
  
Inhibitor
Name:
BDBM50179932
Synonyms:
1-[2-chloro-8-(2-methoxy-phenyl)-11,12-dihydro-6H-dibenzo[b,f]azocin-5-yl]-ethanone | CHEMBL206331
Type:
Small organic molecule
Emp. Form.:
C24H22ClNO2
Mol. Mass.:
391.89
SMILES:
COc1ccccc1-c1ccc2CCc3cc(Cl)ccc3N(Cc2c1)C(C)=O
Structure:
Search PDB for entries with ligand similarity: