Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase ITK/TSK' and Ligand = 'BDBM50186472'   

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))	BDBM50186472 (CHEMBL209004 | N-(5-(3-(1-acetylpiperazine-4-carbo...) Show SMILES CN(C)c1ccc(cc1)C(=O)Nc1ncc(Sc2ccc(O)c(c2)C(=O)N2CCN(CC2)C(C)=O)s1 Show InChI InChI=1S/C25H27N5O4S2/c1-16(31)29-10-12-30(13-11-29)24(34)20-14-19(8-9-21(20)32)35-22-15-26-25(36-22)27-23(33)17-4-6-18(7-5-17)28(2)3/h4-9,14-15,32H,10-13H2,1-3H3,(H,26,27,33)	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	30	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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