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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Mitogen-activated protein kinase 14' and Ligand = 'BDBM50392171'   
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))
BDBM50392171
PNG
(CHEMBL2152940)
Show SMILES OCCOc1ccc2CCc3cc(Nc4ccc(F)cc4F)ccc3C(=O)c2c1
Show InChI InChI=1S/C23H19F2NO3/c24-16-4-8-22(21(25)12-16)26-17-5-7-19-15(11-17)2-1-14-3-6-18(29-10-9-27)13-20(14)23(19)28/h3-8,11-13,26-27H,1-2,9-10H2
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Article
PubMed
n/an/a 10n/an/an/an/an/an/a



Eberhard-Karls-University

Curated by ChEMBL


Assay Description
Inhibition of p38alpha by immunosorbent based kinase assay


J Med Chem 55: 5868-77 (2012)


Article DOI: 10.1021/jm300327h
BindingDB Entry DOI: 10.7270/Q2CV4JTJ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50392171
PNG
(CHEMBL2152940)
Show SMILES OCCOc1ccc2CCc3cc(Nc4ccc(F)cc4F)ccc3C(=O)c2c1
Show InChI InChI=1S/C23H19F2NO3/c24-16-4-8-22(21(25)12-16)26-17-5-7-19-15(11-17)2-1-14-3-6-18(29-10-9-27)13-20(14)23(19)28/h3-8,11-13,26-27H,1-2,9-10H2
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Article
PubMed
n/an/a 19n/an/an/an/an/an/a



Eberhard-Karls-University T£bingen

Curated by ChEMBL


Assay Description
Competitive inhibition of p38alpha MAP kinase (unknown origin) in presence of 100 uM ATP


J Med Chem 56: 8561-78 (2013)


Article DOI: 10.1021/jm401276h
BindingDB Entry DOI: 10.7270/Q2Q81H2C
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50392171
PNG
(CHEMBL2152940)
Show SMILES OCCOc1ccc2CCc3cc(Nc4ccc(F)cc4F)ccc3C(=O)c2c1
Show InChI InChI=1S/C23H19F2NO3/c24-16-4-8-22(21(25)12-16)26-17-5-7-19-15(11-17)2-1-14-3-6-18(29-10-9-27)13-20(14)23(19)28/h3-8,11-13,26-27H,1-2,9-10H2
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Article
PubMed
n/an/a 480n/an/an/an/an/an/a



Eberhard-Karls-University

Curated by ChEMBL


Assay Description
Inhibition of p38alpha-dependent TNFalpha production in human whole blood


J Med Chem 55: 5868-77 (2012)


Article DOI: 10.1021/jm300327h
BindingDB Entry DOI: 10.7270/Q2CV4JTJ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50392171
PNG
(CHEMBL2152940)
Show SMILES OCCOc1ccc2CCc3cc(Nc4ccc(F)cc4F)ccc3C(=O)c2c1
Show InChI InChI=1S/C23H19F2NO3/c24-16-4-8-22(21(25)12-16)26-17-5-7-19-15(11-17)2-1-14-3-6-18(29-10-9-27)13-20(14)23(19)28/h3-8,11-13,26-27H,1-2,9-10H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 583n/an/an/an/an/an/a



Eberhard-Karls-University T£bingen

Curated by ChEMBL


Assay Description
Inhibition of p38alpha MAP kinase in human whole blood assessed as inhibition of LPS-induced TNFalpha release by ELISA


J Med Chem 56: 8561-78 (2013)


Article DOI: 10.1021/jm401276h
BindingDB Entry DOI: 10.7270/Q2Q81H2C
More data for this
Ligand-Target Pair