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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 = 'BDBM50072464'   
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))
BDBM50072464
PNG
(CHEMBL3409607)
Show SMILES COCC[C@H](C)Nc1nccc(n1)-c1ccn([C@H](CO)c2ccc(Cl)c(F)c2)c(=O)c1 |r|
Show InChI InChI=1/C22H24ClFN4O3/c1-14(7-10-31-2)26-22-25-8-5-19(27-22)15-6-9-28(21(30)12-15)20(13-29)16-3-4-17(23)18(24)11-16/h3-6,8-9,11-12,14,20,29H,7,10,13H2,1-2H3,(H,25,26,27)/t14-,20+/s2
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
6.80n/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