Compile Data Set for Download or QSAR

Found 1 hit of ic50 for monomerid = 213218   

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))	BDBM213218 (N2-[(3S)-1-Acryloyl-3-pyrrolidinyl]-6-(4-morpholin...) Show SMILES C=CC(=O)N1CC[C@@H](C1)Nc1nc(CN2CCOCC2)cc(Nc2nc3cccnc3s2)n1 |r| Show InChI InChI=1S/C22H26N8O2S/c1-2-19(31)30-7-5-15(14-30)24-21-25-16(13-29-8-10-32-11-9-29)12-18(27-21)28-22-26-17-4-3-6-23-20(17)33-22/h2-4,6,12,15H,1,5,7-11,13-14H2,(H2,24,25,26,27,28)/t15-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	500	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				3D Structure (crystal)