Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase ITK/TSK [357-620,Y512E]' and Ligand = 'BDBM213219'   

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 [357-620,Y512E] (Homo sapiens (Human))	BDBM213219 ((S)-1-(3-((4-(Morpholinomethyl)-6-(thiazolo[5,4-b]...) Show SMILES C=CC(=O)N1CC[C@@H](C1)Nc1cc(CN2CCOCC2)cc(Nc2nc3cccnc3s2)n1 |r| Show InChI InChI=1S/C23H27N7O2S/c1-2-21(31)30-7-5-17(15-30)25-19-12-16(14-29-8-10-32-11-9-29)13-20(27-19)28-23-26-18-4-3-6-24-22(18)33-23/h2-4,6,12-13,17H,1,5,7-11,14-15H2,(H2,25,26,27,28)/t17-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline					Assay Description This assay is based on the binding and displacement of Alexa-fluor 647-labeled ATP-competitive kinase inhibitor tracer 236. Binding of the tracer is ...				J Biol Chem 288: 28195-206 (2013) Article DOI: 10.1074/jbc.M113.474114 BindingDB Entry DOI: 10.7270/Q2ZW1JSK
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK [357-620,Y512E] (Homo sapiens (Human))	BDBM213219 ((S)-1-(3-((4-(Morpholinomethyl)-6-(thiazolo[5,4-b]...) Show SMILES C=CC(=O)N1CC[C@@H](C1)Nc1cc(CN2CCOCC2)cc(Nc2nc3cccnc3s2)n1 |r| Show InChI InChI=1S/C23H27N7O2S/c1-2-21(31)30-7-5-17(15-30)25-19-12-16(14-29-8-10-32-11-9-29)13-20(27-19)28-23-26-18-4-3-6-24-22(18)33-23/h2-4,6,12-13,17H,1,5,7-11,14-15H2,(H2,25,26,27,28)/t17-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline					Assay Description This assay is based on the binding and displacement of Alexa-fluor 647-labeled ATP-competitive kinase inhibitor tracer 236. Binding of the tracer is ...				J Biol Chem 288: 28195-206 (2013) Article DOI: 10.1074/jbc.M113.474114 BindingDB Entry DOI: 10.7270/Q2ZW1JSK
					More data for this Ligand-Target Pair