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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Mitogen-activated protein kinase 14' and Ligand = 'BDBM50425382'   
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))
BDBM50425382
PNG
(CHEMBL2316197)
Show SMILES COC(=O)CC[C@H](NC(=O)c1ccc2CCc3cc(Nc4ccc(F)cc4F)ccc3C(=O)c2c1)C(=O)OC |r|
Show InChI InChI=1S/C29H26F2N2O6/c1-38-26(34)12-11-25(29(37)39-2)33-28(36)18-6-4-16-3-5-17-13-20(8-9-21(17)27(35)22(16)14-18)32-24-10-7-19(30)15-23(24)31/h4,6-10,13-15,25,32H,3,5,11-12H2,1-2H3,(H,33,36)/t25-/m0/s1
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Article
PubMed
n/an/a 1.20n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human p38 MAPK alpha incubated for 1 hr by photometric method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01773
BindingDB Entry DOI: 10.7270/Q24B355R
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50425382
PNG
(CHEMBL2316197)
Show SMILES COC(=O)CC[C@H](NC(=O)c1ccc2CCc3cc(Nc4ccc(F)cc4F)ccc3C(=O)c2c1)C(=O)OC |r|
Show InChI InChI=1S/C29H26F2N2O6/c1-38-26(34)12-11-25(29(37)39-2)33-28(36)18-6-4-16-3-5-17-13-20(8-9-21(17)27(35)22(16)14-18)32-24-10-7-19(30)15-23(24)31/h4,6-10,13-15,25,32H,3,5,11-12H2,1-2H3,(H,33,36)/t25-/m0/s1
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Article
PubMed
n/an/a 5n/an/an/an/an/an/a



University of T£bingen

Curated by ChEMBL


Assay Description
Inhibition of p38alpha MAP kinase (unknown origin) by ELISA


J Med Chem 56: 241-53 (2013)


Article DOI: 10.1021/jm301539x
BindingDB Entry DOI: 10.7270/Q2TB187B
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50425382
PNG
(CHEMBL2316197)
Show SMILES COC(=O)CC[C@H](NC(=O)c1ccc2CCc3cc(Nc4ccc(F)cc4F)ccc3C(=O)c2c1)C(=O)OC |r|
Show InChI InChI=1S/C29H26F2N2O6/c1-38-26(34)12-11-25(29(37)39-2)33-28(36)18-6-4-16-3-5-17-13-20(8-9-21(17)27(35)22(16)14-18)32-24-10-7-19(30)15-23(24)31/h4,6-10,13-15,25,32H,3,5,11-12H2,1-2H3,(H,33,36)/t25-/m0/s1
PDB
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KEGG

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PC sid
UniChem

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Article
PubMed
n/an/a 18n/an/an/an/an/an/a



University of T£bingen

Curated by ChEMBL


Assay Description
Inhibition of p38alpha MAP kinase in whole blood (unknown origin) assessed as lipopolysaccharide-stimulated TNF-alpha release by ELISA


J Med Chem 56: 241-53 (2013)


Article DOI: 10.1021/jm301539x
BindingDB Entry DOI: 10.7270/Q2TB187B
More data for this
Ligand-Target Pair