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BDBM213217 N-(cis-3-{[4-(4-Morpholinylmethyl)-6-([1,3]thiazolo[5,4-b]pyridin-2-ylamino)-2-pyrimidinyl]amino}cyclohexyl)-2-propenamide (6)

SMILES: C=CC(=O)N[C@H]1CCC[C@H](C1)Nc1nc(CN2CCOCC2)cc(Nc2nc3cccnc3s2)n1

InChI Key: InChIKey=WVLVYNVAZJMARA-DLBZAZTESA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 213217   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Interlukin-2-inducible tyrosine kinase (Itk)


(Homo sapiens (Human))		BDBM213217
PNG
(N-(cis-3-{[4-(4-Morpholinylmethyl)-6-([1,3]thiazol...)
Show SMILES C=CC(=O)N[C@H]1CCC[C@H](C1)Nc1nc(CN2CCOCC2)cc(Nc2nc3cccnc3s2)n1 |r|
Show InChI InChI=1S/C24H30N8O2S/c1-2-21(33)26-16-5-3-6-17(13-16)27-23-28-18(15-32-9-11-34-12-10-32)14-20(30-23)31-24-29-19-7-4-8-25-22(19)35-24/h2,4,7-8,14,16-17H,1,3,5-6,9-13,15H2,(H,26,33)(H2,27,28,29,30,31)/t16-,17+/m0/s1
PDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 250n/an/an/an/an/an/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