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 = 'BDBM213373'   

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))	BDBM213373 (US9278978, 8) Show SMILES CN[C@H](C)C(=O)Nc1cc(cc(n1)C#Cc1ccc2n(C)c(=O)ccc2c1)-c1ncnc2cnn(C)c12 |r| Show InChI InChI=1S/C27H24N8O2/c1-16(28-2)27(37)33-23-13-19(25-26-21(29-15-30-25)14-31-35(26)4)12-20(32-23)8-5-17-6-9-22-18(11-17)7-10-24(36)34(22)3/h6-7,9-16,28H,1-4H3,(H,32,33,37)/t16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	222	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