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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 = 'BDBM50166566'   
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))
BDBM50166566
PNG
(CHEMBL3797371)
Show SMILES CC(NC(=O)c1ccc2[nH]nc(-c3cc(C)nc(C)c3)c2c1)c1cccc(Cl)c1
Show InChI InChI=1S/C23H21ClN4O/c1-13-9-18(10-14(2)25-13)22-20-12-17(7-8-21(20)27-28-22)23(29)26-15(3)16-5-4-6-19(24)11-16/h4-12,15H,1-3H3,(H,26,29)(H,27,28)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 110n/an/an/an/an/an/a



Green Valley Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged ERK2 expressed in Escherichia coli using ser/thr 3 Peptide as substrate preincubated for 1 hr measured aft...


Bioorg Med Chem Lett 26: 2600-4 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.029
BindingDB Entry DOI: 10.7270/Q2H99731
More data for this
Ligand-Target Pair