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 = 'BDBM213377'   

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))	BDBM213377 (US9278978, 12) Show SMILES CN[C@H](C)C(=O)Nc1cc(cc(n1)C#Cc1ccc2N(C)C(=O)Cc2c1)-c1cccc2cnn(C)c12 |r| Show InChI InChI=1S/C28H26N6O2/c1-17(29-2)28(36)32-25-14-20(23-7-5-6-19-16-30-34(4)27(19)23)13-22(31-25)10-8-18-9-11-24-21(12-18)15-26(35)33(24)3/h5-7,9,11-14,16-17,29H,15H2,1-4H3,(H,31,32,36)/t17-/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	2.05E+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