Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'E3 ubiquitin-protein ligase XIAP' and Ligand = 'BDBM50314477'   

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))	BDBM50314477 ((S)-N-((S)-1-cyclohexyl-2-oxo-2-((S)-2-(7-phenylth...) Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1c1nc2c(cncc2s1)-c1ccccc1 |r| Show InChI InChI=1S/C28H35N5O2S/c1-18(29-2)26(34)31-24(20-12-7-4-8-13-20)28(35)33-15-9-14-22(33)27-32-25-21(16-30-17-23(25)36-27)19-10-5-3-6-11-19/h3,5-6,10-11,16-18,20,22,24,29H,4,7-9,12-15H2,1-2H3,(H,31,34)/t18-,22-,24-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	7.30E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Antagonist activity at XIAP BIR3 domain by fluorescence polarization assay ... On Thursday, November 10, 2011 9:19 AM from cohen.fred@gene.com: Unfor...				Bioorg Med Chem Lett 20: 2229-33 (2010) Checked by Author Article DOI: 10.1016/j.bmcl.2010.02.021 BindingDB Entry DOI: 10.7270/Q298875B
					More data for this Ligand-Target Pair