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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Mitogen-activated protein kinase 1' and Ligand = 'BDBM50063536'   
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))
BDBM50063536
PNG
(CHEMBL3398607)
Show SMILES CC(C)c1cc(NC(=O)[C@@H]2CCN(CC(=O)N3CCN(CC3)c3ccc(cc3)-c3ncccn3)C2)ccc1O |r|
Show InChI InChI=1/C30H36N6O3/c1-21(2)26-18-24(6-9-27(26)37)33-30(39)23-10-13-34(19-23)20-28(38)36-16-14-35(15-17-36)25-7-4-22(5-8-25)29-31-11-3-12-32-29/h3-9,11-12,18,21,23,37H,10,13-17,19-20H2,1-2H3,(H,33,39)/t23-/s2
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 73n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of non-activated Erk2 (unknown origin) using activating Mek1 and peptide substrate by coupled Erk2 assay


Bioorg Med Chem Lett 25: 1627-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.049
BindingDB Entry DOI: 10.7270/Q2BK1F1S
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50063536
PNG
(CHEMBL3398607)
Show SMILES CC(C)c1cc(NC(=O)[C@@H]2CCN(CC(=O)N3CCN(CC3)c3ccc(cc3)-c3ncccn3)C2)ccc1O |r|
Show InChI InChI=1/C30H36N6O3/c1-21(2)26-18-24(6-9-27(26)37)33-30(39)23-10-13-34(19-23)20-28(38)36-16-14-35(15-17-36)25-7-4-22(5-8-25)29-31-11-3-12-32-29/h3-9,11-12,18,21,23,37H,10,13-17,19-20H2,1-2H3,(H,33,39)/t23-/s2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.80E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of activated Erk2 (unknown origin) by biochemical assay


Bioorg Med Chem Lett 25: 1627-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.049
BindingDB Entry DOI: 10.7270/Q2BK1F1S
More data for this
Ligand-Target Pair