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 = 'BDBM13185'   

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))	BDBM13185 ((2S)-2-amino-N-{5-methyl-4-[(2,4,6-trimethylphenyl...) Show SMILES C[C@H](N)C(=O)Nc1nc(C)c(Cc2c(C)cc(C)cc2C)[nH]1 |r| Show InChI InChI=1S/C17H24N4O/c1-9-6-10(2)14(11(3)7-9)8-15-13(5)19-17(20-15)21-16(22)12(4)18/h6-7,12H,8,18H2,1-5H3,(H2,19,20,21,22)/t12-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	2.00E+3	n/a	n/a	n/a	7.4	22
Abbott Laboratories					Assay Description A fluorescence polarization anisotropy (FPA) competition assay was used to determine the affinities of compounds to BIR3 protein. Fluorescence polari...				Bioorg Med Chem Lett 15: 771-5 (2005) Article DOI: 10.1016/j.bmcl.2004.11.010 BindingDB Entry DOI: 10.7270/Q23T9FFF
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