BDBM213218 N2-[(3S)-1-Acryloyl-3-pyrrolidinyl]-6-(4-morpholinylmethyl)-N4-[1,3]thiazolo[5,4-b]pyridin-2-yl-2,4-pyrimidinediamine (7)

SMILES: C=CC(=O)N1CC[C@@H](C1)Nc1nc(CN2CCOCC2)cc(Nc2nc3cccnc3s2)n1

InChI Key: InChIKey=LZANMDGKZJPQIB-HNNXBMFYSA-N

Data: 1 IC50

PDB links: 1 PDB ID matches this monomer.

Find this compound or compounds like it in BindingDB or PDB:

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 213218   

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))	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 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)