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BDBM213226 N-{(3S)-1-[(2E)-2-Butenoyl]-3-pyrrolidinyl}-4-{[cis-2,6-dimethyl-4-morpholinyl]methyl}-N'-[1,3]thiazolo[5,4-b]pyridin-2-yl-2,6-pyridinediamine (16)

SMILES: C\C=C\C(=O)N1CC[C@@H](C1)Nc1cc(CN2C[C@H](C)O[C@H](C)C2)cc(Nc2nc3cccnc3s2)n1

InChI Key: InChIKey=JYWRGJBVHXCABZ-RKMFKKCNSA-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 = 213226   
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))		BDBM213226
PNG
(N-{(3S)-1-[(2E)-2-Butenoyl]-3-pyrrolidinyl}-4-{[ci...)
Show SMILES C\C=C\C(=O)N1CC[C@@H](C1)Nc1cc(CN2C[C@H](C)O[C@H](C)C2)cc(Nc2nc3cccnc3s2)n1 |r|
Show InChI InChI=1S/C26H33N7O2S/c1-4-6-24(34)33-10-8-20(16-33)28-22-11-19(15-32-13-17(2)35-18(3)14-32)12-23(30-22)31-26-29-21-7-5-9-27-25(21)36-26/h4-7,9,11-12,17-18,20H,8,10,13-16H2,1-3H3,(H2,28,29,30,31)/b6-4+/t17-,18+,20-/m0/s1
PDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 40n/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