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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Mitogen-activated protein kinase 11' and Ligand = 'BDBM50105742'   
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 11


(Homo sapiens (Human))
BDBM50105742
PNG
(4-[4-(4-Fluoro-phenyl)-5-(2-methoxy-pyrimidin-4-yl...)
Show SMILES COc1nccc(n1)-c1c(ncn1[C@H]1CC[C@H](O)CC1)-c1ccc(F)cc1 |wU:16.18,wD:13.14,(3.13,-3.72,;3.16,-2.18,;4.5,-1.42,;4.53,.13,;5.87,.86,;7.2,.06,;7.17,-1.48,;5.82,-2.22,;8.5,-2.27,;8.7,-3.8,;10.21,-4.09,;10.93,-2.74,;9.88,-1.62,;10.17,-.1,;11.64,.4,;11.93,1.91,;10.77,2.91,;11.06,4.43,;9.31,2.4,;9.02,.89,;7.63,-4.91,;8.06,-6.39,;6.98,-7.48,;5.49,-7.1,;4.43,-8.22,;5.06,-5.63,;6.14,-4.53,)|
Show InChI InChI=1S/C20H21FN4O2/c1-27-20-22-11-10-17(24-20)19-18(13-2-4-14(21)5-3-13)23-12-25(19)15-6-8-16(26)9-7-15/h2-5,10-12,15-16,26H,6-9H2,1H3/t15-,16-
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n/an/a 44n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of p38-beta MAP kinase


Proc Natl Acad Sci USA 104: 20523-8 (2007)

Checked by Author
Article DOI: 10.1073/pnas.0708800104
BindingDB Entry DOI: 10.7270/Q2DB82RH
More data for this
Ligand-Target Pair