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 = 'BDBM213403'   

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))	BDBM213403 (US9278978, 38) Show SMILES CNC(C)C(=O)Nc1cc(cc(n1)C#Cc1ccc2nc(C)ccc2c1)-c1ncnc2c(C)nn(C)c12 Show InChI InChI=1S/C28H26N8O/c1-16-6-9-20-12-19(8-11-23(20)32-16)7-10-22-13-21(14-24(33-22)34-28(37)18(3)29-4)26-27-25(30-15-31-26)17(2)35-36(27)5/h6,8-9,11-15,18,29H,1-5H3,(H,33,34,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	131	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