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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 = 'BDBM50505896'   
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))
BDBM50505896
PNG
(CHEMBL4459087)
Show SMILES CC(C)C[C@H](NC(=O)c1ccc(CNC(=O)c2cnn(c2N)-c2ccccc2)cc1)C(N)=O |r|
Show InChI InChI=1S/C24H28N6O3/c1-15(2)12-20(22(26)31)29-23(32)17-10-8-16(9-11-17)13-27-24(33)19-14-28-30(21(19)25)18-6-4-3-5-7-18/h3-11,14-15,20H,12-13,25H2,1-2H3,(H2,26,31)(H,27,33)(H,29,32)/t20-/m0/s1
PDB
MMDB

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UniProtKB/SwissProt

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DrugBank
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 360n/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