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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'c-Jun N-terminal kinase 3' and Ligand = 'BDBM50169976'   
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
c-Jun N-terminal kinase 3


(Rattus norvegicus)
BDBM50169976
PNG
(CHEMBL191376 | [3H-Benzothiazol-(2Z)-ylidene]-[2-(...)
Show SMILES N#CC(c1nc2ccccc2s1)c1ccnc(NCCCN2CCOCC2)n1
Show InChI InChI=1S/C20H22N6OS/c21-14-15(19-24-17-4-1-2-5-18(17)28-19)16-6-8-23-20(25-16)22-7-3-9-26-10-12-27-13-11-26/h1-2,4-6,8,15H,3,7,9-13H2,(H,22,23,25)
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 407n/an/an/an/an/an/a



Serono Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of rat c-Jun N-terminal kinase 3


J Med Chem 48: 4596-607 (2005)


Article DOI: 10.1021/jm0310986
BindingDB Entry DOI: 10.7270/Q2K9389G
More data for this
Ligand-Target Pair