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 = 'BDBM391821'   

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))	BDBM391821 (US10300074, Compd 16) Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCCNC2CCC(N2C1=O)C(=O)NC1CCCc2ccccc12 |r,w:12.11,15.20| Show InChI InChI=1S/C24H35N5O3/c1-15(25-2)22(30)28-19-11-6-14-26-21-13-12-20(29(21)24(19)32)23(31)27-18-10-5-8-16-7-3-4-9-17(16)18/h3-4,7,9,15,18-21,25-26H,5-6,8,10-14H2,1-2H3,(H,27,31)(H,28,30)/t15-,18?,19-,20?,21?/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description 5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...				Bioorg Med Chem Lett 19: 1807-10 (2009) BindingDB Entry DOI: 10.7270/Q25B04VG
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