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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 = 'BDBM50375798'   
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))
BDBM50375798
PNG
(CHEMBL437024)
Show SMILES NCC(=O)NCCOc1cc(-c2ccccc2Cl)c2ccc(=O)n(-c3c(Cl)cccc3Cl)c2c1 |(7.26,-41.02,;5.95,-41.95,;4.71,-41.09,;3.48,-41.96,;4.7,-39.54,;3.36,-38.78,;2.03,-39.56,;.69,-38.79,;-.64,-39.57,;-.64,-41.11,;-1.97,-41.88,;-1.97,-43.42,;-3.31,-44.19,;-3.31,-45.73,;-1.98,-46.5,;-.64,-45.72,;-.64,-44.18,;.69,-43.41,;-3.3,-41.11,;-4.63,-41.88,;-5.96,-41.11,;-5.96,-39.57,;-7.29,-38.81,;-4.63,-38.79,;-4.63,-37.25,;-5.95,-36.48,;-7.28,-37.26,;-5.95,-34.95,;-4.62,-34.17,;-3.28,-34.94,;-3.28,-36.48,;-1.95,-37.25,;-3.3,-39.57,;-1.97,-38.81,)|
Show InChI InChI=1S/C25H20Cl3N3O3/c26-19-5-2-1-4-16(19)18-12-15(34-11-10-30-23(32)14-29)13-22-17(18)8-9-24(33)31(22)25-20(27)6-3-7-21(25)28/h1-9,12-13H,10-11,14,29H2,(H,30,32)
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 0.300n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of p38alpha


Bioorg Med Chem Lett 18: 2222-6 (2008)


Article DOI: 10.1016/j.bmcl.2006.10.097
BindingDB Entry DOI: 10.7270/Q23T9J36
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50375798
PNG
(CHEMBL437024)
Show SMILES NCC(=O)NCCOc1cc(-c2ccccc2Cl)c2ccc(=O)n(-c3c(Cl)cccc3Cl)c2c1 |(7.26,-41.02,;5.95,-41.95,;4.71,-41.09,;3.48,-41.96,;4.7,-39.54,;3.36,-38.78,;2.03,-39.56,;.69,-38.79,;-.64,-39.57,;-.64,-41.11,;-1.97,-41.88,;-1.97,-43.42,;-3.31,-44.19,;-3.31,-45.73,;-1.98,-46.5,;-.64,-45.72,;-.64,-44.18,;.69,-43.41,;-3.3,-41.11,;-4.63,-41.88,;-5.96,-41.11,;-5.96,-39.57,;-7.29,-38.81,;-4.63,-38.79,;-4.63,-37.25,;-5.95,-36.48,;-7.28,-37.26,;-5.95,-34.95,;-4.62,-34.17,;-3.28,-34.94,;-3.28,-36.48,;-1.95,-37.25,;-3.3,-39.57,;-1.97,-38.81,)|
Show InChI InChI=1S/C25H20Cl3N3O3/c26-19-5-2-1-4-16(19)18-12-15(34-11-10-30-23(32)14-29)13-22-17(18)8-9-24(33)31(22)25-20(27)6-3-7-21(25)28/h1-9,12-13H,10-11,14,29H2,(H,30,32)
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 80n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of p38-alpha by whole blood assay


Bioorg Med Chem Lett 18: 2222-6 (2008)


Article DOI: 10.1016/j.bmcl.2006.10.097
BindingDB Entry DOI: 10.7270/Q23T9J36
More data for this
Ligand-Target Pair