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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 = 'BDBM50505935'   
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))
BDBM50505935
PNG
(CHEMBL4513917)
Show SMILES CC(C)CC[C@H](NC(=O)c1ccc(CNC(=O)c2cnn(c2N)-c2ccccc2)cc1)C(N)=O |r|
Show InChI InChI=1S/C25H30N6O3/c1-16(2)8-13-21(23(27)32)30-24(33)18-11-9-17(10-12-18)14-28-25(34)20-15-29-31(22(20)26)19-6-4-3-5-7-19/h3-7,9-12,15-16,21H,8,13-14,26H2,1-2H3,(H2,27,32)(H,28,34)(H,30,33)/t21-/m0/s1
PDB
MMDB

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PC cid
PC sid
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Article
PubMed
n/an/a 320n/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