Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase ITK/TSK' and Ligand = 'BDBM50274706'   

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))	BDBM50274706 (4-cyano-N-(5-(N-methylcyclohexanecarboxamido)-1-(3...) Show SMILES CN(C(=O)C1CCCCC1)c1ccc2n(CCC(=O)N3CCN(C)CC3)c(NC(=O)c3ccc(cc3)C#N)nc2c1 Show InChI InChI=1S/C31H37N7O3/c1-35-16-18-37(19-17-35)28(39)14-15-38-27-13-12-25(36(2)30(41)24-6-4-3-5-7-24)20-26(27)33-31(38)34-29(40)23-10-8-22(21-32)9-11-23/h8-13,20,24H,3-7,14-19H2,1-2H3,(H,33,34,40)	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	18	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Curated by ChEMBL					Assay Description Inhibition of ITK by DELFIA assay				Bioorg Med Chem Lett 18: 5545-9 (2008) Article DOI: 10.1016/j.bmcl.2008.09.015 BindingDB Entry DOI: 10.7270/Q2M32VMD
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