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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase JAK3' and Ligand = 'BDBM50250925'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50250925
PNG
(CHEMBL4064171)
Show SMILES NC(=O)c1cn(nc1Nc1ccc(C#N)c(c1)C#N)[C@H]1COCC[C@@H]1C#N |r|
Show InChI InChI=1S/C18H15N7O2/c19-6-11-1-2-14(5-13(11)8-21)23-18-15(17(22)26)9-25(24-18)16-10-27-4-3-12(16)7-20/h1-2,5,9,12,16H,3-4,10H2,(H2,22,26)(H,23,24)/t12-,16+/m1/s1
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Similars

Article
PubMed
n/an/a 656n/an/an/an/an/an/a



Merck & Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged recombinant human JAK3 catalytic domain expressed in baculovirus expression system using LCB-EQEDEPEGDYFEWLW-NH2 as substrat...


J Med Chem 60: 9676-9690 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01135
BindingDB Entry DOI: 10.7270/Q20867RD
More data for this
Ligand-Target Pair