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 = 'BDBM213402'   

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))	BDBM213402 (US9278978, 37) Show SMILES CCNC(CC)C(=O)Nc1cc(cc(n1)C#Cc1ccc2c(C)nccc2c1)-c1ncnc2c(C)nn(C)c12 Show InChI InChI=1S/C30H30N8O/c1-6-25(31-7-2)30(39)36-26-16-22(28-29-27(33-17-34-28)19(4)37-38(29)5)15-23(35-26)10-8-20-9-11-24-18(3)32-13-12-21(24)14-20/h9,11-17,25,31H,6-7H2,1-5H3,(H,35,36,39)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.88E+3	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