Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'E3 ubiquitin-protein ligase XIAP' and Ligand = 'BDBM50314462'   

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))	BDBM50314462 ((2S)-N-((1S)-2-((2S)-2-(5-(3-methoxyprop-1-ynyl)-4...) Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCOCC1)C(=O)N1CCC[C@H]1c1nc(c(s1)C#CCOC)-c1cccc2ccccc12 |r| Show InChI InChI=1S/C32H38N4O4S/c1-21(33-2)30(37)34-28(23-15-19-40-20-16-23)32(38)36-17-7-13-26(36)31-35-29(27(41-31)14-8-18-39-3)25-12-6-10-22-9-4-5-11-24(22)25/h4-6,9-12,21,23,26,28,33H,7,13,15-20H2,1-3H3,(H,34,37)/t21-,26-,28-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.10E+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