Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase ITK/TSK' and Ligand = 'BDBM50338100'   

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))	BDBM50338100 (CHEMBL1684543 | N-(1-benzylpiperidin-4-yl)-3-(6-me...) Show SMILES Cc1ccc2cc([nH]c2c1)-c1n[nH]c2ccc(NC3CCN(Cc4ccccc4)CC3)cc12 Show InChI InChI=1S/C28H29N5/c1-19-7-8-21-16-27(30-26(21)15-19)28-24-17-23(9-10-25(24)31-32-28)29-22-11-13-33(14-12-22)18-20-5-3-2-4-6-20/h2-10,15-17,22,29-30H,11-14,18H2,1H3,(H,31,32)	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	23	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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