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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Mitogen-activated protein kinase 14' and Ligand = 'BDBM50241017'   
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))
BDBM50241017
PNG
(CHEMBL4101643)
Show SMILES NC(=O)c1ccc2CCc3cc(Nc4ccc(F)c(NC(=O)c5ccccc5)c4)ccc3C(=O)c2c1
Show InChI InChI=1S/C29H22FN3O3/c30-25-13-11-22(16-26(25)33-29(36)18-4-2-1-3-5-18)32-21-10-12-23-19(14-21)8-6-17-7-9-20(28(31)35)15-24(17)27(23)34/h1-5,7,9-16,32H,6,8H2,(H2,31,35)(H,33,36)
PDB
MMDB

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KEGG

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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 0.300n/an/an/an/an/an/a



Eberhard-Karls-Universitaet Tuebingen

Curated by ChEMBL


Assay Description
Inhibition of P38 alpha MAPK (unknown origin) by ELISA


J Med Chem 60: 8027-8054 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00745
BindingDB Entry DOI: 10.7270/Q2RV0QVZ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50241017
PNG
(CHEMBL4101643)
Show SMILES NC(=O)c1ccc2CCc3cc(Nc4ccc(F)c(NC(=O)c5ccccc5)c4)ccc3C(=O)c2c1
Show InChI InChI=1S/C29H22FN3O3/c30-25-13-11-22(16-26(25)33-29(36)18-4-2-1-3-5-18)32-21-10-12-23-19(14-21)8-6-17-7-9-20(28(31)35)15-24(17)27(23)34/h1-5,7,9-16,32H,6,8H2,(H2,31,35)(H,33,36)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 91n/an/an/an/an/an/a



Eberhard-Karls-Universitaet Tuebingen

Curated by ChEMBL


Assay Description
Inhibition of P38 alpha MAPK in human whole blood assessed as reduction in TNF-alpha release after 10 mins by ELISA


J Med Chem 60: 8027-8054 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00745
BindingDB Entry DOI: 10.7270/Q2RV0QVZ
More data for this
Ligand-Target Pair