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Target
17-beta-hydroxysteroid dehydrogenase type 3
Ligand
BDBM50108811
Substrate
n/a
Meas. Tech.
ChEMBL_213262 (CHEMBL820662)
IC50
80±n/a nM
Citation
 Maltais, R; Luu-The, V; Poirier, D Synthesis and optimization of a new family of type 3 17 beta-hydroxysteroid dehydrogenase inhibitors by parallel liquid-phase chemistry. J Med Chem 45:640-53 (2002) [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:
BDBM50108811
Synonyms:
3-[(Adamantan-2-ylmethyl-butyl-amino)-methyl]-3-hydroxy-10,13-dimethyl-hexadecahydro-cyclopenta[a]phenanthren-17-one | CHEMBL160822
Type:
Small organic molecule
Emp. Form.:
C35H57NO2
Mol. Mass.:
523.8326
SMILES:
CCCCN(CC1C2CC3CC(C2)CC1C3)C[C@@]1(O)CC[C@@]2(C)C(CCC3C4CCC(=O)[C@@]4(C)CCC23)C1 |wU:17.19,21.24,32.36,wD:17.20,TLB:15:14:12:9.8.10,5:6:9.8.15:11.12.13,THB:15:9:12:14.6.13,5:6:12:9.8.10,10:9:6:11.12.13,10:11:6:9.8.15,(7.13,-12.46,;7.9,-11.14,;7.15,-9.8,;7.92,-8.47,;9.46,-8.48,;10.25,-7.15,;9.48,-5.82,;7.99,-5.4,;8,-3.8,;6.94,-2.58,;5.56,-3.15,;5.56,-4.68,;6.58,-5.97,;6.96,-5.04,;8.29,-4.53,;8.29,-3.06,;10.21,-9.83,;11.75,-9.83,;11.75,-11.37,;11.75,-8.29,;13.09,-7.52,;14.42,-8.29,;14.42,-6.75,;14.42,-9.83,;15.73,-10.6,;17.08,-9.85,;17.08,-8.31,;18.43,-7.55,;19.89,-8.03,;20.8,-6.8,;19.9,-5.55,;20.38,-4.09,;18.43,-6.01,;18.43,-4.47,;17.11,-5.23,;15.76,-5.98,;15.76,-7.52,;13.09,-10.6,)|
Structure:
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