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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase ITK/TSK' and Ligand = 'BDBM26887'   
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
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM26887
PNG
(2-aminobenzimidazole with trans-stilbene, 9h | N-[...)
Show SMILES CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(s3)C(C)=Cc3ccncc3)nc2c1 |w:31.33|
Show InChI InChI=1S/C31H28N6O3S/c1-20(18-21-12-15-33-16-13-21)26-10-11-27(41-26)29(39)35-31-34-24-19-23(8-9-25(24)37(31)17-14-28(32)38)36(2)30(40)22-6-4-3-5-7-22/h3-13,15-16,18-19H,14,17H2,1-2H3,(H2,32,38)(H,34,35,39)
PDB
MMDB

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Similars

Article
PubMed
n/an/a 59n/an/an/an/a7.022



Boehringer Ingelheim Pharmaceuticals Inc.



Assay Description
Kinase is purified as a GST-fusion protein. The kinase activity is measured using DELFIA which utilizes europium chelate-labeled anti-phosphotyrosine...


Bioorg Med Chem Lett 18: 6218-21 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.098
BindingDB Entry DOI: 10.7270/Q23B5XFW
More data for this
Ligand-Target Pair