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BDBM213221 (S)-1-(3-((4-(Piperidin-1-ylmethyl)-6-(thiazolo[5,4-b]pyridin-2-ylamino)pyridin-2-yl)amino)pyrrolidin-1-yl)prop-2-en-1-one (10)

SMILES: C=CC(=O)N1CC[C@@H](C1)Nc1cc(CN2CCCCC2)cc(Nc2nc3cccnc3s2)n1

InChI Key: InChIKey=OFXYIECDJYOGTF-SFHVURJKSA-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 = 213221   
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))		BDBM213221
PNG
((S)-1-(3-((4-(Piperidin-1-ylmethyl)-6-(thiazolo[5,...)
Show SMILES C=CC(=O)N1CC[C@@H](C1)Nc1cc(CN2CCCCC2)cc(Nc2nc3cccnc3s2)n1 |r|
Show InChI InChI=1S/C24H29N7OS/c1-2-22(32)31-12-8-18(16-31)26-20-13-17(15-30-10-4-3-5-11-30)14-21(28-20)29-24-27-19-7-6-9-25-23(19)33-24/h2,6-7,9,13-14,18H,1,3-5,8,10-12,15-16H2,(H2,26,27,28,29)/t18-/m0/s1
PDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.30n/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