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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, JNK' and Ligand = 'BDBM50376120'   
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, JNK


(Homo sapiens (Human))
BDBM50376120
PNG
(CHEMBL259554)
Show SMILES CCC(=O)c1c(-c2ccccc2)c2cc(Cl)ccc2c(=O)n1Cc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C26H20ClNO4/c1-2-22(29)24-23(17-6-4-3-5-7-17)21-14-19(27)12-13-20(21)25(30)28(24)15-16-8-10-18(11-9-16)26(31)32/h3-14H,2,15H2,1H3,(H,31,32)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/a 9.60n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Inhibition of human JNK1 by radiometric assay


Bioorg Med Chem 16: 4699-714 (2008)


Article DOI: 10.1016/j.bmc.2008.02.028
BindingDB Entry DOI: 10.7270/Q2NP2598
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)