BDBM213222 (S)-1-(3-((4-((Dimethylamino)methyl)-6-(thiazolo[5,4-b]pyridin-2-ylamino)pyridin-2-yl)amino)pyrrolidin-1-yl)prop-2-en-1-one (11)

SMILES: CN(C)Cc1cc(N[C@H]2CCN(C2)C(=O)C=C)nc(Nc2nc3cccnc3s2)c1

InChI Key: InChIKey=MXCYYCUMOMWODQ-HNNXBMFYSA-N

Data: 1 IC50

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Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 213222   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Interlukin-2-inducible tyrosine kinase (Itk) (Homo sapiens (Human))	BDBM213222 ((S)-1-(3-((4-((Dimethylamino)methyl)-6-(thiazolo[5...) Show SMILES CN(C)Cc1cc(N[C@H]2CCN(C2)C(=O)C=C)nc(Nc2nc3cccnc3s2)c1 |r| Show InChI InChI=1S/C21H25N7OS/c1-4-19(29)28-9-7-15(13-28)23-17-10-14(12-27(2)3)11-18(25-17)26-21-24-16-6-5-8-22-20(16)30-21/h4-6,8,10-11,15H,1,7,9,12-13H2,2-3H3,(H2,23,24,25,26)/t15-/m0/s1	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	32	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