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 = 'BDBM213408'   

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))	BDBM213408 (US9278978, 43) Show SMILES CNC(C)C(=O)Nc1cc(cc(n1)C#Cc1cnc2n(C)ncc2c1)-c1ncnc2c(C)nn(C)c12 Show InChI InChI=1S/C25H24N10O/c1-14-21-23(34(4)33-14)22(29-13-28-21)17-9-19(31-20(10-17)32-25(36)15(2)26-3)7-6-16-8-18-12-30-35(5)24(18)27-11-16/h8-13,15,26H,1-5H3,(H,31,32,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	231	n/a	n/a	n/a	n/a	n/a	25
Boehringer Ingelheim International GmbH US Patent					Assay Description BIR3 domains (10 nM) were incubated with SMAC peptide (10 nM) in assay buffer (50 mM Tris, 120 mM NaCl, 0.1% BSA, 1 mM DTT, 0.05% TritonX100) for one...				US Patent US9278978 (2016) BindingDB Entry DOI: 10.7270/Q2JM28G4
					More data for this Ligand-Target Pair