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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 = 'BDBM50122400'   
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))
BDBM50122400
PNG
(5-(2-Chloro-4-fluoro-phenyl)-7-(1-cyclopropyl-pipe...)
Show SMILES Fc1ccc(c(Cl)c1)-c1cc(cc2N(C(=O)NCc12)c1c(Cl)cccc1Cl)C1CCN(CC1)C1CC1
Show InChI InChI=1S/C28H25Cl3FN3O/c29-23-2-1-3-24(30)27(23)35-26-13-17(16-8-10-34(11-9-16)19-5-6-19)12-21(22(26)15-33-28(35)36)20-7-4-18(32)14-25(20)31/h1-4,7,12-14,16,19H,5-6,8-11,15H2,(H,33,36)
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Similars

Article
n/an/a 1.10n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of p38alpha MAPK (unknown origin)


Citation and Details

Article DOI: 10.1007/s00044-012-0179-7
BindingDB Entry DOI: 10.7270/Q2WW7MMT
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50122400
PNG
(5-(2-Chloro-4-fluoro-phenyl)-7-(1-cyclopropyl-pipe...)
Show SMILES Fc1ccc(c(Cl)c1)-c1cc(cc2N(C(=O)NCc12)c1c(Cl)cccc1Cl)C1CCN(CC1)C1CC1
Show InChI InChI=1S/C28H25Cl3FN3O/c29-23-2-1-3-24(30)27(23)35-26-13-17(16-8-10-34(11-9-16)19-5-6-19)12-21(22(26)15-33-28(35)36)20-7-4-18(32)14-25(20)31/h1-4,7,12-14,16,19H,5-6,8-11,15H2,(H,33,36)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

PubMed
n/an/a 1.10n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against mitogen-activated protein kinase p38 alpha


Bioorg Med Chem Lett 13: 277-80 (2002)


BindingDB Entry DOI: 10.7270/Q25X2884
More data for this
Ligand-Target Pair