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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 = 'BDBM50001102'   
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))
BDBM50001102
PNG
(CHEMBL3236382)
Show SMILES [H][C@]12C[C@@]3([H])CCN(C[C@@]3([H])N1C(=O)[C@H](CCC2)NC(=O)[C@H](C)NC)C(=O)C(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C30H38N4O3/c1-20(31-2)28(35)32-25-15-9-14-24-18-23-16-17-33(19-26(23)34(24)29(25)36)30(37)27(21-10-5-3-6-11-21)22-12-7-4-8-13-22/h3-8,10-13,20,23-27,31H,9,14-19H2,1-2H3,(H,32,35)/t20-,23+,24-,25-,26+/m0/s1
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KEGG

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Similars

Article
PubMed
n/an/a 940n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of XIAP BIR3 domain (unknown origin) by fluorescence polarization assay


Bioorg Med Chem Lett 24: 1820-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.016
BindingDB Entry DOI: 10.7270/Q2416ZJ7
More data for this
Ligand-Target Pair