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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for monomerid = 50421129   
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


(Mus musculus (mouse))
BDBM50421129
PNG
(CHEMBL2088584)
Show SMILES CCCNC(=O)c1ccc(F)c(c1)-c1c2ccc(Oc3ccc(F)cc3F)nn2ccc1=O |(11.3,-12.29,;9.97,-13.06,;8.64,-12.3,;7.3,-13.07,;5.97,-12.31,;5.96,-10.77,;4.64,-13.08,;3.3,-12.32,;1.97,-13.09,;1.97,-14.63,;.64,-15.4,;3.31,-15.41,;4.64,-14.63,;3.31,-16.94,;4.64,-17.71,;5.95,-16.94,;7.28,-17.69,;7.29,-19.23,;8.63,-20,;8.63,-21.54,;7.3,-22.31,;7.3,-23.85,;8.64,-24.61,;8.65,-26.15,;9.98,-23.83,;9.96,-22.3,;11.29,-21.52,;5.96,-20,;4.64,-19.24,;3.3,-20.02,;1.97,-19.25,;1.97,-17.71,;.64,-16.94,)|
Show InChI InChI=1S/C24H18F3N3O3/c1-2-10-28-24(32)14-3-5-17(26)16(12-14)23-19-6-8-22(29-30(19)11-9-20(23)31)33-21-7-4-15(25)13-18(21)27/h3-9,11-13H,2,10H2,1H3,(H,28,32)
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PC cid
PC sid
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Article
PubMed
n/an/a 32n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of mouse p38apha assessed as reduction in GST-ATF2 substrate phosphorylation by SPA assay


Bioorg Med Chem Lett 22: 5979-83 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.035
BindingDB Entry DOI: 10.7270/Q28P61S0
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 11


(Mus musculus (mouse))
BDBM50421129
PNG
(CHEMBL2088584)
Show SMILES CCCNC(=O)c1ccc(F)c(c1)-c1c2ccc(Oc3ccc(F)cc3F)nn2ccc1=O |(11.3,-12.29,;9.97,-13.06,;8.64,-12.3,;7.3,-13.07,;5.97,-12.31,;5.96,-10.77,;4.64,-13.08,;3.3,-12.32,;1.97,-13.09,;1.97,-14.63,;.64,-15.4,;3.31,-15.41,;4.64,-14.63,;3.31,-16.94,;4.64,-17.71,;5.95,-16.94,;7.28,-17.69,;7.29,-19.23,;8.63,-20,;8.63,-21.54,;7.3,-22.31,;7.3,-23.85,;8.64,-24.61,;8.65,-26.15,;9.98,-23.83,;9.96,-22.3,;11.29,-21.52,;5.96,-20,;4.64,-19.24,;3.3,-20.02,;1.97,-19.25,;1.97,-17.71,;.64,-16.94,)|
Show InChI InChI=1S/C24H18F3N3O3/c1-2-10-28-24(32)14-3-5-17(26)16(12-14)23-19-6-8-22(29-30(19)11-9-20(23)31)33-21-7-4-15(25)13-18(21)27/h3-9,11-13H,2,10H2,1H3,(H,28,32)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 400n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of mouse p38beta assessed as reduction in GST-ATF2 substrate phosphorylation by SPA assay


Bioorg Med Chem Lett 22: 5979-83 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.035
BindingDB Entry DOI: 10.7270/Q28P61S0
More data for this
Ligand-Target Pair