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BDBM50109514 CHEMBL3601718

SMILES: COc1cc(ccc1Nc1ncc(C)c(NCc2cccc(NC(=O)C=C)c2)n1)N1CCN(C)CC1

InChI Key: InChIKey=CESTYGNRGNQROA-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50109514   
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
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50109514
PNG
(CHEMBL3601718)
Show SMILES COc1cc(ccc1Nc1ncc(C)c(NCc2cccc(NC(=O)C=C)c2)n1)N1CCN(C)CC1
Show InChI InChI=1S/C27H33N7O2/c1-5-25(35)30-21-8-6-7-20(15-21)18-28-26-19(2)17-29-27(32-26)31-23-10-9-22(16-24(23)36-4)34-13-11-33(3)12-14-34/h5-10,15-17H,1,11-14,18H2,2-4H3,(H,30,35)(H2,28,29,31,32)
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Article
PubMed
n/an/a 31n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of JAK3 (unknown origin) by Z'-Lyte assay


J Med Chem 58: 6589-606 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00710
BindingDB Entry DOI: 10.7270/Q2833TSH
More data for this
Ligand-Target Pair