Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase ITK/TSK' and Ligand = 'BDBM50274558'   

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))	BDBM50274558 (4-cyano-N-(5-(N-methylcyclohexanecarboxamido)-1-ph...) Show SMILES CN(C(=O)C1CCCCC1)c1ccc2n(CCc3ccccc3)c(NC(=O)c3ccc(cc3)C#N)nc2c1 Show InChI InChI=1S/C31H31N5O2/c1-35(30(38)25-10-6-3-7-11-25)26-16-17-28-27(20-26)33-31(36(28)19-18-22-8-4-2-5-9-22)34-29(37)24-14-12-23(21-32)13-15-24/h2,4-5,8-9,12-17,20,25H,3,6-7,10-11,18-19H2,1H3,(H,33,34,37)	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	6	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
					More data for this Ligand-Target Pair