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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Mitogen-activated protein kinase 14' and Ligand = 'BDBM50357910'   
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))
BDBM50357910
PNG
(CHEMBL1916524)
Show SMILES CC(=O)N1CCC(CC1)c1cc(-c2ccccc2Cl)c2cc[n+]([O-])c(-c3c(F)cccc3F)c2n1 |(19.42,-20.86,;18.08,-21.62,;18.07,-23.16,;16.75,-20.84,;15.41,-21.6,;14.08,-20.83,;14.09,-19.29,;15.42,-18.52,;16.76,-19.3,;12.77,-18.52,;12.77,-16.98,;11.43,-16.2,;11.43,-14.66,;12.77,-13.9,;12.77,-12.36,;11.43,-11.59,;10.1,-12.36,;10.1,-13.9,;8.77,-14.67,;10.1,-16.97,;8.76,-16.21,;7.43,-16.98,;7.43,-18.52,;6.1,-19.29,;8.77,-19.29,;8.77,-20.83,;7.43,-21.6,;6.1,-20.83,;7.44,-23.14,;8.77,-23.91,;10.11,-23.12,;10.1,-21.59,;11.43,-20.81,;10.09,-18.52,;11.43,-19.29,)|
Show InChI InChI=1S/C27H22ClF2N3O2/c1-16(34)32-12-9-17(10-13-32)24-15-20(18-5-2-3-6-21(18)28)19-11-14-33(35)27(26(19)31-24)25-22(29)7-4-8-23(25)30/h2-8,11,14-15,17H,9-10,12-13H2,1H3
PDB
MMDB

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KEGG

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Similars

Article
PubMed
n/an/a 17n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of human p38alpha MAP kinase after 1 hr by FRET analysis


J Med Chem 54: 7899-910 (2011)


Article DOI: 10.1021/jm200975u
BindingDB Entry DOI: 10.7270/Q2MW2HKR
More data for this
Ligand-Target Pair