Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'E3 ubiquitin-protein ligase XIAP [241-356]' and Ligand = 'BDBM205403'   

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 [241-356] (Homo sapiens (Human))	BDBM205403 (US9249151, 49) Show SMILES CNC(C)C(=O)Nc1cc(cc(NC(=O)Cc2ccccc2)n1)-c1cccc2nc(C)c(C)n12 Show InChI InChI=1S/C26H28N6O2/c1-16-18(3)32-21(11-8-12-24(32)28-16)20-14-22(29-23(15-20)31-26(34)17(2)27-4)30-25(33)13-19-9-6-5-7-10-19/h5-12,14-15,17,27H,13H2,1-4H3,(H2,29,30,31,33,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	164	n/a	n/a	n/a	n/a	n/a	25
Boehringer Ingelheim International GmbH US Patent					Assay Description R3 domains of human XIAP (covering amino acids 241 to 356; XIAP BIR3) and cIAPl (covering amino acids 256 to 363; cIAPl BIR3) were expressed and puri...				US Patent US9249151 (2016) BindingDB Entry DOI: 10.7270/Q24748P2
					More data for this Ligand-Target Pair