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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 = 'BDBM50357891'   
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))
BDBM50357891
PNG
(CHEMBL1916348)
Show SMILES COc1cccc(OC)c1-c1[n+]([O-])ccc2c(ccnc12)-c1ccc(F)cc1F |(-10.9,-39.4,;-9.56,-38.63,;-8.23,-39.39,;-8.23,-40.93,;-6.89,-41.7,;-5.55,-40.92,;-5.56,-39.38,;-4.23,-38.61,;-2.9,-39.37,;-6.89,-38.62,;-6.9,-37.09,;-8.23,-36.32,;-9.57,-37.09,;-8.23,-34.77,;-6.9,-34,;-5.57,-34.77,;-4.23,-33.99,;-2.9,-34.77,;-2.9,-36.32,;-4.24,-37.08,;-5.57,-36.31,;-4.23,-32.46,;-5.56,-31.7,;-5.57,-30.16,;-4.23,-29.38,;-4.23,-27.84,;-2.9,-30.15,;-2.9,-31.69,;-1.56,-32.46,)|
Show InChI InChI=1S/C22H16F2N2O3/c1-28-18-4-3-5-19(29-2)20(18)22-21-16(9-11-26(22)27)14(8-10-25-21)15-7-6-13(23)12-17(15)24/h3-12H,1-2H3
PDB
MMDB

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Similars

Article
PubMed
n/an/a 141n/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