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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 = 'BDBM50063533'   
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))
BDBM50063533
PNG
(CHEMBL3398592)
Show SMILES Oc1ccc(NC(=O)[C@@H]2CCN(CC(=O)N3CCN(CC3)c3ccc(cc3)-c3ccc(F)cc3)C2)cc1Cl |r|
Show InChI InChI=1S/C29H30ClFN4O3/c30-26-17-24(7-10-27(26)36)32-29(38)22-11-12-33(18-22)19-28(37)35-15-13-34(14-16-35)25-8-3-21(4-9-25)20-1-5-23(31)6-2-20/h1-10,17,22,36H,11-16,18-19H2,(H,32,38)/t22-/m1/s1
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MMDB

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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 1.90E+4n/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))
BDBM50063533
PNG
(CHEMBL3398592)
Show SMILES Oc1ccc(NC(=O)[C@@H]2CCN(CC(=O)N3CCN(CC3)c3ccc(cc3)-c3ccc(F)cc3)C2)cc1Cl |r|
Show InChI InChI=1S/C29H30ClFN4O3/c30-26-17-24(7-10-27(26)36)32-29(38)22-11-12-33(18-22)19-28(37)35-15-13-34(14-16-35)25-8-3-21(4-9-25)20-1-5-23(31)6-2-20/h1-10,17,22,36H,11-16,18-19H2,(H,32,38)/t22-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 1.00E+5n/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