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BDBM50274606 CHEMBL4129249

SMILES: NC(=O)\C=C\c1ccc(o1)-c1nc2cnc3[nH]ccc3c2n1C1CCCCC1

InChI Key: InChIKey=FYLOZOBGQQWQEU-VQHVLOKHSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50274606   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50274606
PNG
(CHEMBL4129249)
Show SMILES NC(=O)\C=C\c1ccc(o1)-c1nc2cnc3[nH]ccc3c2n1C1CCCCC1
Show InChI InChI=1S/C21H21N5O2/c22-18(27)9-7-14-6-8-17(28-14)21-25-16-12-24-20-15(10-11-23-20)19(16)26(21)13-4-2-1-3-5-13/h6-13H,1-5H2,(H2,22,27)(H,23,24)/b9-7+
PDB

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Similars

Article
PubMed
n/an/a 129n/an/an/an/an/an/a



Eberhard Karls University T£bingen

Curated by ChEMBL


Assay Description
Inhibition of recombinant human JAK3 (781 to 1124 residues) expressed in baculovirus expression system assessed as reduction in polypeptide substrate...


J Med Chem 61: 5350-5366 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00571
BindingDB Entry DOI: 10.7270/Q2QN6988
More data for this
Ligand-Target Pair