Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'E3 ubiquitin-protein ligase XIAP' and Ligand = 'BDBM50336824'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM50336824 ((S)-N-((S)-1-cyclohexyl-2-oxo-2-((3aS,7aR)-5-phene...) Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CC[C@H]2CN(CCc3ccccc3)CC[C@@H]12 |r| Show InChI InChI=1S/C27H42N4O2/c1-20(28-2)26(32)29-25(22-11-7-4-8-12-22)27(33)31-18-14-23-19-30(17-15-24(23)31)16-13-21-9-5-3-6-10-21/h3,5-6,9-10,20,22-25,28H,4,7-8,11-19H2,1-2H3,(H,29,32)/t20-,23-,24+,25-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	280	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh Curated by ChEMBL					Assay Description Inhibition of XIAP by FRET assay				J Med Chem 54: 890-900 (2012) Article DOI: 10.1021/jm101341m BindingDB Entry DOI: 10.7270/Q2G73FQ9
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