Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'E3 ubiquitin-protein ligase XIAP' and Ligand = 'BDBM139059'   

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))	BDBM139059 (US8883771, 5) Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(CC[C@H]2CCC(N2C1=O)C(=O)N[C@@H]1CCCc2ccccc12)C(=O)Nc1ccc(NC(=O)N2CC[C@H]3CC[C@H](N3C(=O)[C@H](C2)NC(=O)[C@H](C)NC)C(=O)N[C@@H]2CCCc3ccccc23)cc1 |r| Show InChI InChI=1S/C56H74N12O8/c1-33(57-3)49(69)63-45-31-65(29-27-39-23-25-47(67(39)53(45)73)51(71)61-43-17-9-13-35-11-5-7-15-41(35)43)55(75)59-37-19-21-38(22-20-37)60-56(76)66-30-28-40-24-26-48(68(40)54(74)46(32-66)64-50(70)34(2)58-4)52(72)62-44-18-10-14-36-12-6-8-16-42(36)44/h5-8,11-12,15-16,19-22,33-34,39-40,43-48,57-58H,9-10,13-14,17-18,23-32H2,1-4H3,(H,59,75)(H,60,76)(H,61,71)(H,62,72)(H,63,69)(H,64,70)/t33-,34-,39+,40+,43+,44+,45-,46-,47-,48?/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<10	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