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 = 'BDBM13208'   

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))	BDBM13208 ((3S,6S,8aS)-6-[(2S)-2-aminopropanamido]-5-oxo-N-(2...) Show SMILES C[C@H](N)C(=O)N[C@H]1CC[C@H]2CC[C@H](N2C1=O)C(=O)NCCc1ccccc1 |r| Show InChI InChI=1S/C20H28N4O3/c1-13(21)18(25)23-16-9-7-15-8-10-17(24(15)20(16)27)19(26)22-12-11-14-5-3-2-4-6-14/h2-6,13,15-17H,7-12,21H2,1H3,(H,22,26)(H,23,25)/t13-,15-,16-,17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	2.24E+4	-26.3	n/a	n/a	n/a	n/a	n/a	7.5	22
University of Michigan					Assay Description A quantitative in vitro binding assay using the fluorescence polarization (FP) based method was developed and used to determine the binding affinity ...				J Med Chem 47: 4147-50 (2004) Article DOI: 10.1021/jm0499108 BindingDB Entry DOI: 10.7270/Q2028PSX
					More data for this Ligand-Target Pair