Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase ITK/TSK' and Ligand = 'BDBM50443177'   

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))	BDBM50443177 (CHEMBL3086533) Show SMILES COc1ccc(cc1)[C@H]1C[C@@H]1C(=O)Nc1nc2ccc(cc2s1)-c1cn[nH]c1 |r| Show InChI InChI=1S/C21H18N4O2S/c1-27-15-5-2-12(3-6-15)16-9-17(16)20(26)25-21-24-18-7-4-13(8-19(18)28-21)14-10-22-23-11-14/h2-8,10-11,16-17H,9H2,1H3,(H,22,23)(H,24,25,26)/t16-,17+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Evotec (UK) Ltd Curated by ChEMBL					Assay Description Inhibition of full length GST-tagged ITK (unknown origin) using Ac-EFPIYDFLPAKKK-NH2 as substrate after 35 mins by LC/MS analysis				Bioorg Med Chem Lett 23: 6331-5 (2013) Article DOI: 10.1016/j.bmcl.2013.09.069 BindingDB Entry DOI: 10.7270/Q2GX4D16
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM50443177 (CHEMBL3086533) Show SMILES COc1ccc(cc1)[C@H]1C[C@@H]1C(=O)Nc1nc2ccc(cc2s1)-c1cn[nH]c1 |r| Show InChI InChI=1S/C21H18N4O2S/c1-27-15-5-2-12(3-6-15)16-9-17(16)20(26)25-21-24-18-7-4-13(8-19(18)28-21)14-10-22-23-11-14/h2-8,10-11,16-17H,9H2,1H3,(H,22,23)(H,24,25,26)/t16-,17+/m1/s1	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	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Evotec (UK) Ltd Curated by ChEMBL					Assay Description Inhibition of ITK in human Jurkat cells assessed as inhibition of PLC-gamma1 phosphorylation by immuno-detection assay				Bioorg Med Chem Lett 23: 6331-5 (2013) Article DOI: 10.1016/j.bmcl.2013.09.069 BindingDB Entry DOI: 10.7270/Q2GX4D16
					More data for this Ligand-Target Pair