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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 = 'BDBM50314450'   
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))
BDBM50314450
PNG
((S)-N-((S)-1-cyclohexyl-2-((S)-2-(4-(4-fluoronapht...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1c1nc(cs1)-c1ccc(F)c2ccccc12 |r|
Show InChI InChI=1S/C29H35FN4O2S/c1-18(31-2)27(35)33-26(19-9-4-3-5-10-19)29(36)34-16-8-13-25(34)28-32-24(17-37-28)22-14-15-23(30)21-12-7-6-11-20(21)22/h6-7,11-12,14-15,17-19,25-26,31H,3-5,8-10,13,16H2,1-2H3,(H,33,35)/t18-,25-,26-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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DrugBank
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
1.90E+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