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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Mitogen-activated protein kinase 1' and Ligand = 'BDBM50072462'   
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 1


(Homo sapiens (Human))
BDBM50072462
PNG
(CHEMBL3409605)
Show SMILES CC1CC(CCO1)Nc1nccc(n1)-c1ccn([C@H](CO)c2ccc(Cl)c(F)c2)c(=O)c1 |r|
Show InChI InChI=1/C23H24ClFN4O3/c1-14-10-17(6-9-32-14)27-23-26-7-4-20(28-23)15-5-8-29(22(31)12-15)21(13-30)16-2-3-18(24)19(25)11-16/h2-5,7-8,11-12,14,17,21,30H,6,9-10,13H2,1H3,(H,26,27,28)/t14?,17?,21-/s2
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MMDB

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PC cid
PC sid
UniChem
Article
PubMed
2.40n/an/an/an/an/an/an/an/a



Array BioPharma Inc

Curated by ChEMBL


Assay Description
Inhibition of 6-His tagged human ERK2 expressed in Escherichia coli measured over 30 mins by competition assay


J Med Chem 58: 1976-91 (2015)


Article DOI: 10.1021/jm501921k
BindingDB Entry DOI: 10.7270/Q2TM7CT7
More data for this
Ligand-Target Pair