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 = 'BDBM213406'   

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))	BDBM213406 (US9278978, 41) Show SMILES CNC(C)C(=O)Nc1cc(cc(n1)C#Cc1ccc(cc1)-n1cnc(C)c1)-c1ncnc2c(C)nn(C)c12 Show InChI InChI=1S/C28H27N9O/c1-17-14-37(16-32-17)23-10-7-20(8-11-23)6-9-22-12-21(13-24(33-22)34-28(38)19(3)29-4)26-27-25(30-15-31-26)18(2)35-36(27)5/h7-8,10-16,19,29H,1-5H3,(H,33,34,38)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	105	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