Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase ITK/TSK' and Ligand = 'BDBM50338054'   

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))	BDBM50338054 (3-methoxy-N-(3-(6-methyl-1H-indol-2-yl)-1H-indazol...) Show SMILES COc1cccc(c1)S(=O)(=O)Nc1ccc2[nH]nc(-c3cc4ccc(C)cc4[nH]3)c2c1 Show InChI InChI=1S/C23H20N4O3S/c1-14-6-7-15-11-22(24-21(15)10-14)23-19-12-16(8-9-20(19)25-26-23)27-31(28,29)18-5-3-4-17(13-18)30-2/h3-13,24,27H,1-2H3,(H,25,26)	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	46	n/a	n/a	n/a	n/a	n/a	n/a
Nycomed GmbH Curated by ChEMBL					Assay Description Inhibition of recombinant GST-tagged full-length ITK expressed in baculovirus expression system after 30 mins by scintillation proximity assay				Bioorg Med Chem Lett 21: 1852-6 (2011) Article DOI: 10.1016/j.bmcl.2011.01.035 BindingDB Entry DOI: 10.7270/Q2MC90BW
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