Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase ITK/TSK' and Ligand = 'BDBM50186484'   

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))	BDBM50186484 (1-(4-(5-(2-(4,6-dimethylpyridin-2-ylamino)thiazol-...) Show SMILES CC(=O)N1CCN(CC1)C(=O)c1cc(Sc2cnc(Nc3cc(C)cc(C)n3)s2)ccc1O Show InChI InChI=1S/C23H25N5O3S2/c1-14-10-15(2)25-20(11-14)26-23-24-13-21(33-23)32-17-4-5-19(30)18(12-17)22(31)28-8-6-27(7-9-28)16(3)29/h4-5,10-13,30H,6-9H2,1-3H3,(H,24,25,26)	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	7	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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