Compile Data Set for Download or QSAR
Found 1 Enz. Inhib. hit(s) with Target = 'E3 ubiquitin-protein ligase XIAP [241-356]' and Ligand = 'BDBM17336'
TargetE3 ubiquitin-protein ligase XIAP [241-356](Homo sapiens (Human))
Princeton University

Show SMILES C[C@H](N)c1nc(co1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C20H24N4O5/c1-12(21)18-23-15(11-29-18)19(26)24-9-5-8-16(24)17(25)22-14(20(27)28)10-13-6-3-2-4-7-13/h2-4,6-7,11-12,14,16H,5,8-10,21H2,1H3,(H,22,25)(H,27,28)/t12-,14-,16-/m0/s1
Affinity DataKd:  1.10E+4nMpH: 7.0 T: 2°CAssay Description:AVPC-badan can be displaced from the binding pocket of the protein by test compounds. As the dye is displaced from the binding pocket, the emission i...More data for this Ligand-Target Pair