Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'E3 ubiquitin-protein ligase XIAP' and Ligand = 'BDBM139068'   

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 (Homo sapiens (Human))	BDBM139068 (US8883771, 14) Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(CC[C@H]2CCC(N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1)C(=O)Nc1cccc(NC(=O)N2CC[C@H]3CC[C@H](N3C(=O)[C@H](C2)NC(=O)[C@H](C)NC)C(=O)NC(c2ccccc2)c2ccccc2)c1 |r| Show InChI InChI=1S/C62H74N12O8/c1-39(63-3)55(75)67-49-37-71(34-32-47-28-30-51(73(47)59(49)79)57(77)69-53(41-18-9-5-10-19-41)42-20-11-6-12-21-42)61(81)65-45-26-17-27-46(36-45)66-62(82)72-35-33-48-29-31-52(74(48)60(80)50(38-72)68-56(76)40(2)64-4)58(78)70-54(43-22-13-7-14-23-43)44-24-15-8-16-25-44/h5-27,36,39-40,47-54,63-64H,28-35,37-38H2,1-4H3,(H,65,81)(H,66,82)(H,67,75)(H,68,76)(H,69,77)(H,70,78)/t39-,40-,47+,48+,49-,50-,51-,52?/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<30	n/a	n/a	n/a	n/a	7.5	n/a
The Regents of the University of Michigan US Patent					Assay Description Binding affinities of the present compounds to XIAP linker-BIR2-BIR3 (residues 120-356), cIAP1-BIR3 (residues 253-363), and cIAP-2 BIR3 (residues 238...				US Patent US8883771 (2014) BindingDB Entry DOI: 10.7270/Q2C24V4C
					More data for this Ligand-Target Pair