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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Mitogen-activated protein kinase 8' and Ligand = 'BDBM50178830'   
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
Mitogen-activated protein kinase 8


(Homo sapiens (Human))
BDBM50178830
PNG
(CHEMBL205078 | N-(4-(2-(4-fluorophenylamino)pyridi...)
Show SMILES Fc1ccc(Nc2cc(ccn2)-c2ccnc(NC(=O)C3CCOCC3)c2)cc1
Show InChI InChI=1S/C22H21FN4O2/c23-18-1-3-19(4-2-18)26-20-13-16(5-9-24-20)17-6-10-25-21(14-17)27-22(28)15-7-11-29-12-8-15/h1-6,9-10,13-15H,7-8,11-12H2,(H,24,26)(H,25,27,28)
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 152n/an/an/an/an/an/a



AstraZeneca R&D Södertälje

Curated by ChEMBL


Assay Description
Inhibition of JNK1


Bioorg Med Chem Lett 16: 1397-401 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.039
BindingDB Entry DOI: 10.7270/Q2KP81R3
More data for this
Ligand-Target Pair