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BDBM213212 (trans)-4-((4-(Morpholinomethyl)-6-(thiazolo[5,4-b]pyridin-2-ylamino)pyrimidin-2-yl)amino)cyclohexanol (1)

SMILES: O[C@H]1CC[C@@H](CC1)Nc1nc(CN2CCOCC2)cc(Nc2nc3cccnc3s2)n1

InChI Key: InChIKey=ZTNFIPMIIIDPNY-KOMQPUFPSA-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 = 213212   
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))		BDBM213212
PNG
((trans)-4-((4-(Morpholinomethyl)-6-(thiazolo[5,4-b...)
Show SMILES O[C@H]1CC[C@@H](CC1)Nc1nc(CN2CCOCC2)cc(Nc2nc3cccnc3s2)n1 |r,wU:1.0,wD:4.7,(1.15,-4.55,;-.18,-3.78,;-1.51,-4.55,;-2.85,-3.78,;-2.85,-2.24,;-1.51,-1.47,;-.18,-2.24,;-4.18,-1.47,;-4.18,.07,;-5.51,.84,;-5.51,2.38,;-6.85,3.15,;-6.85,4.69,;-5.51,5.46,;-5.51,7,;-6.85,7.77,;-8.18,7,;-8.18,5.46,;-4.18,3.15,;-2.85,2.38,;-1.51,3.15,;-.18,2.38,;1.23,3.01,;2.26,1.87,;3.8,1.87,;4.57,.53,;3.8,-.8,;2.26,-.8,;1.49,.53,;-.02,.85,;-2.85,.84,)|
Show InChI InChI=1S/C21H27N7O2S/c29-16-5-3-14(4-6-16)23-20-24-15(13-28-8-10-30-11-9-28)12-18(26-20)27-21-25-17-2-1-7-22-19(17)31-21/h1-2,7,12,14,16,29H,3-6,8-11,13H2,(H2,23,24,25,26,27)/t14-,16-
PDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 100n/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