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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Mitogen-activated protein kinase 14' and Ligand = 'BDBM50505921'   
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 14


(Homo sapiens (Human))
BDBM50505921
PNG
(CHEMBL4522291)
Show SMILES CCCC[C@H](NC(=O)c1ccc(CNC(=O)c2cnn(c2N)-c2ccccc2)cc1)C(N)=O |r|
Show InChI InChI=1S/C24H28N6O3/c1-2-3-9-20(22(26)31)29-23(32)17-12-10-16(11-13-17)14-27-24(33)19-15-28-30(21(19)25)18-7-5-4-6-8-18/h4-8,10-13,15,20H,2-3,9,14,25H2,1H3,(H2,26,31)(H,27,33)(H,29,32)/t20-/m0/s1
PDB
MMDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 280n/an/an/an/an/an/a



Johann Wolfgang Goethe-University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His-tagged P38 alpha MAPK (1 to 360 residues) expressed in Escherichia coli incubated for 60 mins by [gamma-33P]ATP b...


J Med Chem 62: 10757-10782 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01227
BindingDB Entry DOI: 10.7270/Q2NV9NJK
More data for this
Ligand-Target Pair