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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' and Ligand = 'BDBM50314469'   
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


(Homo sapiens (Human))		BDBM50314469
PNG
((S)-N-((S)-1-cyclohexyl-2-oxo-2-((S)-2-(4-(pyridin...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1c1nc2c(cccc2s1)-c1ccncc1 |r|
Show InChI InChI=1S/C28H35N5O2S/c1-18(29-2)26(34)31-24(20-8-4-3-5-9-20)28(35)33-17-7-11-22(33)27-32-25-21(10-6-12-23(25)36-27)19-13-15-30-16-14-19/h6,10,12-16,18,20,22,24,29H,3-5,7-9,11,17H2,1-2H3,(H,31,34)/t18-,22-,24-/m0/s1
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Article
PubMed
 6.00E+4n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Antagonist activity at XIAP BIR3 domain by fluorescence polarization assay ... On Thursday, November 10, 2011 9:19 AM from cohen.fred@gene.com: Unfor...

Bioorg Med Chem Lett 20: 2229-33 (2010)

Checked by Author
Article DOI: 10.1016/j.bmcl.2010.02.021
BindingDB Entry DOI: 10.7270/Q298875B
More data for this
Ligand-Target Pair