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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 = 'BDBM50343504'   
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))
BDBM50343504
PNG
((R)-N-cyclohexyl-4-(4-(4-fluorophenyl)-2-(isopropy...)
Show SMILES CC(C)[S@@](=O)c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccnc(NC2CCCCC2)c1 |r|
Show InChI InChI=1S/C23H27FN4OS/c1-15(2)30(29)23-27-21(16-8-10-18(24)11-9-16)22(28-23)17-12-13-25-20(14-17)26-19-6-4-3-5-7-19/h8-15,19H,3-7H2,1-2H3,(H,25,26)(H,27,28)/t30-/m1/s1
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MMDB

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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 11n/an/an/an/an/an/a



Eberhard-Karls-University Tu£bingen

Curated by ChEMBL


Assay Description
Inhibition of p38 alpha MAPK in human whole blood assessed as phosphorylation of ATF-2 by immunosorbent non-radioactive enzyme assay


J Med Chem 54: 3283-97 (2011)


Article DOI: 10.1021/jm101623p
BindingDB Entry DOI: 10.7270/Q2W959H4
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50343504
PNG
((R)-N-cyclohexyl-4-(4-(4-fluorophenyl)-2-(isopropy...)
Show SMILES CC(C)[S@@](=O)c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccnc(NC2CCCCC2)c1 |r|
Show InChI InChI=1S/C23H27FN4OS/c1-15(2)30(29)23-27-21(16-8-10-18(24)11-9-16)22(28-23)17-12-13-25-20(14-17)26-19-6-4-3-5-7-19/h8-15,19H,3-7H2,1-2H3,(H,25,26)(H,27,28)/t30-/m1/s1
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 250n/an/an/an/an/an/a



Eberhard-Karls-University Tu£bingen

Curated by ChEMBL


Assay Description
Inhibition of p38 alpha MAPK in human whole blood assessed as suppression of LPS-induced TNF-alpha release by immunosorbent non-radioactive enzyme as...


J Med Chem 54: 3283-97 (2011)


Article DOI: 10.1021/jm101623p
BindingDB Entry DOI: 10.7270/Q2W959H4
More data for this
Ligand-Target Pair