Compile Data Set for Download or QSAR
Found 3 Enz. Inhib. hit(s) for PDB: 6CGE
Target17-beta-hydroxysteroid dehydrogenase type 1(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50400509(CHEMBL2203397)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(CCBr)ccc34)[C@@H]1C[C@H](Cc1cccc(c1)C(N)=O)[C@@H]2O
Show InChI InChI=1S/C28H34BrNO2/c1-28-11-9-23-22-7-5-17(10-12-29)13-19(22)6-8-24(23)25(28)16-21(26(28)31)15-18-3-2-4-20(14-18)27(30)32/h2-5,7,13-14,21,23-26,31H,6,8-12,15-16H2,1H3,(H2,30,32)/t21-,23+,24+,25-,26-,28-/m0/s1
Affinity DataIC50: 68nMAssay Description:Inhibition of 17beta-HSD1 in human T47D cells assessed as decrease in transformation of [14C]estrone to [14C]-estradiol after 24 hrs by thin layer ch...More data for this Ligand-Target Pair
Target17-beta-hydroxysteroid dehydrogenase type 1(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50400509(CHEMBL2203397)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(CCBr)ccc34)[C@@H]1C[C@H](Cc1cccc(c1)C(N)=O)[C@@H]2O
Show InChI InChI=1S/C28H34BrNO2/c1-28-11-9-23-22-7-5-17(10-12-29)13-19(22)6-8-24(23)25(28)16-21(26(28)31)15-18-3-2-4-20(14-18)27(30)32/h2-5,7,13-14,21,23-26,31H,6,8-12,15-16H2,1H3,(H2,30,32)/t21-,23+,24+,25-,26-,28-/m0/s1
Affinity DataIC50: 68nMAssay Description:Inhibition of 17-beta HSD1 in human T47D cells assessed as transformation of [14C]E1 to [14C]E2 after 24 hrs by thin layer chromatographyMore data for this Ligand-Target Pair
Target17-beta-hydroxysteroid dehydrogenase type 1(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50400509(CHEMBL2203397)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(CCBr)ccc34)[C@@H]1C[C@H](Cc1cccc(c1)C(N)=O)[C@@H]2O
Show InChI InChI=1S/C28H34BrNO2/c1-28-11-9-23-22-7-5-17(10-12-29)13-19(22)6-8-24(23)25(28)16-21(26(28)31)15-18-3-2-4-20(14-18)27(30)32/h2-5,7,13-14,21,23-26,31H,6,8-12,15-16H2,1H3,(H2,30,32)/t21-,23+,24+,25-,26-,28-/m0/s1
Affinity DataIC50: 97nMAssay Description:Inhibition of 17-beta HSD1 in human T47D cellsMore data for this Ligand-Target Pair