Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase ITK/TSK' and Ligand = 'BDBM26844'   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM26844 (N-[(2E)-5-[benzene(methyl)amido]-1-(2-carbamoyleth...) Show SMILES CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(s3)-c3cnc(C)o3)nc2c1 Show InChI InChI=1S/C27H24N6O4S/c1-16-29-15-21(37-16)22-10-11-23(38-22)25(35)31-27-30-19-14-18(8-9-20(19)33(27)13-12-24(28)34)32(2)26(36)17-6-4-3-5-7-17/h3-11,14-15H,12-13H2,1-2H3,(H2,28,34)(H,30,31,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
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 19: 773-7 (2009) Article DOI: 10.1016/j.bmcl.2008.12.028 BindingDB Entry DOI: 10.7270/Q2736P62
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