Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase ITK/TSK' and Ligand = 'BDBM50186489'   

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))	BDBM50186489 (CHEMBL210046 | N-(5-(3-(1-acetylpiperazine-4-carbo...) Show SMILES CN(C)c1ccc(cc1)C(=O)Nc1ncc(Sc2cc(N)cc(c2)C(=O)N2CCN(CC2)C(C)=O)s1 Show InChI InChI=1S/C25H28N6O3S2/c1-16(32)30-8-10-31(11-9-30)24(34)18-12-19(26)14-21(13-18)35-22-15-27-25(36-22)28-23(33)17-4-6-20(7-5-17)29(2)3/h4-7,12-15H,8-11,26H2,1-3H3,(H,27,28,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.13E+3	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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