Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase ITK/TSK' and Ligand = 'BDBM50186469'   

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))	BDBM50186469 (2-((5-(5-(1-acetylpiperazine-4-carbonyl)-4-methoxy...) Show SMILES COc1cc(C)c(Sc2cnc(NC(=O)C3CC3C(O)=O)s2)cc1C(=O)N1CCN(CC1)C(C)=O Show InChI InChI=1S/C23H26N4O6S2/c1-12-8-17(33-3)16(21(30)27-6-4-26(5-7-27)13(2)28)10-18(12)34-19-11-24-23(35-19)25-20(29)14-9-15(14)22(31)32/h8,10-11,14-15H,4-7,9H2,1-3H3,(H,31,32)(H,24,25,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of Itk				Bioorg Med Chem Lett 16: 3706-12 (2006) Article DOI: 10.1016/j.bmcl.2006.04.060 BindingDB Entry DOI: 10.7270/Q20C4VBR
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