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BDBM213219 (S)-1-(3-((4-(Morpholinomethyl)-6-(thiazolo[5,4-b]pyridin-2-ylamino)pyridin-2-yl)amino)pyrrolidin-1-yl)propan-1-one (15)::N-[(3S)-1-Acryloyl-3-pyrrolidinyl]-4-(4-morpholinylmethyl)-N'-[1,3]thiazolo[5,4-b]pyridin-2-yl-2,6-pyridinediamine (8)

SMILES: C=CC(=O)N1CC[C@@H](C1)Nc1cc(CN2CCOCC2)cc(Nc2nc3cccnc3s2)n1

InChI Key: InChIKey=JOTFMPGCUAJAIZ-AGDOHHJYNA-N

Data: 2 IC50

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 2 hits for monomerid = 213219   
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))
BDBM213219
PNG
((S)-1-(3-((4-(Morpholinomethyl)-6-(thiazolo[5,4-b]...)
Show SMILES C=CC(=O)N1CC[C@@H](C1)Nc1cc(CN2CCOCC2)cc(Nc2nc3cccnc3s2)n1 |r|
Show InChI InChI=1/C23H27N7O2S/c1-2-21(31)30-7-5-17(15-30)25-19-12-16(14-29-8-10-32-11-9-29)13-20(27-19)28-23-26-18-4-3-6-24-22(18)33-23/h2-4,6,12-13,17H,1,5,7-11,14-15H2,(H2,25,26,27,28)/t17-/s2
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 200n/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
Interlukin-2-inducible tyrosine kinase (Itk)


(Homo sapiens (Human))
BDBM213219
PNG
((S)-1-(3-((4-(Morpholinomethyl)-6-(thiazolo[5,4-b]...)
Show SMILES C=CC(=O)N1CC[C@@H](C1)Nc1cc(CN2CCOCC2)cc(Nc2nc3cccnc3s2)n1 |r|
Show InChI InChI=1/C23H27N7O2S/c1-2-21(31)30-7-5-17(15-30)25-19-12-16(14-29-8-10-32-11-9-29)13-20(27-19)28-23-26-18-4-3-6-24-22(18)33-23/h2-4,6,12-13,17H,1,5,7-11,14-15H2,(H2,25,26,27,28)/t17-/s2
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 13n/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