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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 = 'BDBM391848'   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
E3 ubiquitin-protein ligase XIAP [241-356]


(Homo sapiens (Human))		BDBM391848
PNG
(US10300074, Compd 43)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCO[C@H]2CC3(CCCC3)C(N2C1=O)C(=O)N[C@@H]1CCCc2ccccc12 |r,w:22.24|
Show InChI InChI=1S/C27H38N4O4/c1-17(28-2)24(32)30-21-12-15-35-22-16-27(13-5-6-14-27)23(31(22)26(21)34)25(33)29-20-11-7-9-18-8-3-4-10-19(18)20/h3-4,8,10,17,20-23,28H,5-7,9,11-16H2,1-2H3,(H,29,33)(H,30,32)/t17-,20+,21-,22-,23?/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
<2.50E+4n/an/an/an/an/an/an/an/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
More data for this
Ligand-Target Pair