Reaction Details Report a problem with these data
Target
17-beta-hydroxysteroid dehydrogenase type 3
Ligand
BDBM50093903
Substrate
n/a
Meas. Tech.
ChEMBL_306489 (CHEMBL828612)
IC50
60±n/a nM
Citation
 Tchédam Ngatcha, B; Luu-The, V; Labrie, F; Poirier, D Androsterone 3alpha-ether-3beta-substituted and androsterone 3beta-substituted derivatives as inhibitors of type 3 17beta-hydroxysteroid dehydrogenase: chemical synthesis and structure-activity relationship. J Med Chem 48:5257-68 (2005) [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:
BDBM50093903
Synonyms:
(3R,10S,13S)-3-(2-Cyclohexyl-ethyl)-3-hydroxy-10,13-dimethyl-hexadecahydro-cyclopenta[a]phenanthren-17-one | CHEMBL264621
Type:
Small organic molecule
Emp. Form.:
C27H44O2
Mol. Mass.:
400.6371
SMILES:
C[C@]12CCC3C(CCC4C[C@@](O)(CCC5CCCCC5)CC[C@]34C)C1CCC2=O
Structure:
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