Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase ITK/TSK' and Ligand = 'BDBM26875'   

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))	BDBM26875 (2-aminobenzimidazole with trans-stilbene, 8r | N-[...) Show SMILES CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(C=Cc4cccc(c4)[N+]([O-])=O)s3)nc2c1 |w:28.28| Show InChI InChI=1S/C31H26N6O5S/c1-35(30(40)21-7-3-2-4-8-21)22-11-14-26-25(19-22)33-31(36(26)17-16-28(32)38)34-29(39)27-15-13-24(43-27)12-10-20-6-5-9-23(18-20)37(41)42/h2-15,18-19H,16-17H2,1H3,(H2,32,38)(H,33,34,39)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	42	n/a	n/a	n/a	n/a	7.0	22
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
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