Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase ITK/TSK' and Ligand = 'BDBM50037071'   

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))	BDBM50037071 (CHEMBL3355733) Show SMILES O[C@H]1CC[C@@H](CC1)Nc1cc(cc(Nc2cc([nH]n2)-c2ccc(F)cc2)n1)S(=O)(=O)c1ccccc1 |r,wU:4.7,wD:1.0,(22.41,-30.72,;22.41,-29.18,;23.75,-28.41,;23.75,-26.87,;22.42,-26.11,;21.08,-26.87,;21.08,-28.41,;22.42,-24.57,;21.08,-23.8,;19.75,-24.57,;18.41,-23.8,;18.41,-22.26,;19.74,-21.49,;19.74,-19.95,;21.07,-19.17,;22.48,-19.8,;23.51,-18.66,;22.74,-17.32,;21.23,-17.65,;25.04,-18.81,;25.67,-20.22,;27.2,-20.38,;28.1,-19.13,;29.63,-19.28,;27.46,-17.72,;25.94,-17.57,;21.08,-22.25,;17.07,-24.57,;17.83,-25.9,;16.3,-25.89,;15.74,-23.8,;15.75,-22.26,;14.42,-21.49,;13.09,-22.26,;13.09,-23.81,;14.42,-24.57,)| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.80	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 GST-tagged full-length ITK (unknown origin) using Ac-EFPIYDFLPAKKK-NH2 as substrate after 35 mins by LC/MS analysis				Bioorg Med Chem Lett 24: 5818-23 (2014) Article DOI: 10.1016/j.bmcl.2014.10.020 BindingDB Entry DOI: 10.7270/Q2NK3GNT
					More data for this Ligand-Target Pair