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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Mitogen-activated protein kinase 3' and Ligand = 'BDBM50113679'   
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 3


(Homo sapiens (Human))
BDBM50113679
PNG
(9-Isopropyl-N*6*-(3-methyl-but-2-enyl)-9H-purine-2...)
Show SMILES [#6]-[#6](-[#6])-n1cnc2c(-[#7]-[#6]\[#6]=[#6](/[#6])-[#6])nc(-[#7])nc12
Show InChI InChI=1S/C13H20N6/c1-8(2)5-6-15-11-10-12(18-13(14)17-11)19(7-16-10)9(3)4/h5,7,9H,6H2,1-4H3,(H3,14,15,17,18)
PDB
MMDB

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PC sid
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n/an/a 9.00E+4n/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of Mitogen-activated protein kinase 3 (MAPK-ERK1)


J Med Chem 45: 2366-78 (2002)


BindingDB Entry DOI: 10.7270/Q25B01SB
More data for this
Ligand-Target Pair