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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 = 'BDBM50063540'   
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))
BDBM50063540
PNG
(CHEMBL3398603)
Show SMILES Oc1ccc(NC(=O)[C@@H]2CCN(CC(=O)N3CCN(CC3)c3ccc(cc3)-c3cnccn3)C2)cc1Cl |r|
Show InChI InChI=1/C27H29ClN6O3/c28-23-15-21(3-6-25(23)35)31-27(37)20-7-10-32(17-20)18-26(36)34-13-11-33(12-14-34)22-4-1-19(2-5-22)24-16-29-8-9-30-24/h1-6,8-9,15-16,20,35H,7,10-14,17-18H2,(H,31,37)/t20-/s2
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Article
PubMed
n/an/a 14n/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))
BDBM50063540
PNG
(CHEMBL3398603)
Show SMILES Oc1ccc(NC(=O)[C@@H]2CCN(CC(=O)N3CCN(CC3)c3ccc(cc3)-c3cnccn3)C2)cc1Cl |r|
Show InChI InChI=1/C27H29ClN6O3/c28-23-15-21(3-6-25(23)35)31-27(37)20-7-10-32(17-20)18-26(36)34-13-11-33(12-14-34)22-4-1-19(2-5-22)24-16-29-8-9-30-24/h1-6,8-9,15-16,20,35H,7,10-14,17-18H2,(H,31,37)/t20-/s2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 130n/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