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Compile Data Set for Download or QSAR

Found 5 hits of ic50 for monomerid = 50265967   
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))
BDBM50265967
PNG
(CHEMBL4079515)
Show SMILES Cn1c2CCNC(=O)c2cc1-c1ccnc(NC2CCOCC2)n1
Show InChI InChI=1S/C17H21N5O2/c1-22-14-3-7-18-16(23)12(14)10-15(22)13-2-6-19-17(21-13)20-11-4-8-24-9-5-11/h2,6,10-11H,3-5,7-9H2,1H3,(H,18,23)(H,19,20,21)
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n/an/a 1.40n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of ERK2 (unknown origin) in the presence of 60 uM ATP


J Med Chem 60: 3438-3450 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00267
BindingDB Entry DOI: 10.7270/Q2FJ2K8J
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50265967
PNG
(CHEMBL4079515)
Show SMILES Cn1c2CCNC(=O)c2cc1-c1ccnc(NC2CCOCC2)n1
Show InChI InChI=1S/C17H21N5O2/c1-22-14-3-7-18-16(23)12(14)10-15(22)13-2-6-19-17(21-13)20-11-4-8-24-9-5-11/h2,6,10-11H,3-5,7-9H2,1H3,(H,18,23)(H,19,20,21)
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n/an/a 7.90n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of ERK2 (unknown origin) in the presence of 1 mM ATP


J Med Chem 60: 3438-3450 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00267
BindingDB Entry DOI: 10.7270/Q2FJ2K8J
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50265967
PNG
(CHEMBL4079515)
Show SMILES Cn1c2CCNC(=O)c2cc1-c1ccnc(NC2CCOCC2)n1
Show InChI InChI=1S/C17H21N5O2/c1-22-14-3-7-18-16(23)12(14)10-15(22)13-2-6-19-17(21-13)20-11-4-8-24-9-5-11/h2,6,10-11H,3-5,7-9H2,1H3,(H,18,23)(H,19,20,21)
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n/an/a 340n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of ERK2 in human A375 cells harboring BRAF V600E mutant assessed as decrease in phosphorylated RSK levels


J Med Chem 60: 3438-3450 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00267
BindingDB Entry DOI: 10.7270/Q2FJ2K8J
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50265967
PNG
(CHEMBL4079515)
Show SMILES Cn1c2CCNC(=O)c2cc1-c1ccnc(NC2CCOCC2)n1
Show InChI InChI=1S/C17H21N5O2/c1-22-14-3-7-18-16(23)12(14)10-15(22)13-2-6-19-17(21-13)20-11-4-8-24-9-5-11/h2,6,10-11H,3-5,7-9H2,1H3,(H,18,23)(H,19,20,21)
PDB
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n/an/a 570n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of ERK2 in human A375 cells harboring BRAF V600E mutant assessed as decrease in phosphorylated ERK2 levels


J Med Chem 60: 3438-3450 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00267
BindingDB Entry DOI: 10.7270/Q2FJ2K8J
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM50265967
PNG
(CHEMBL4079515)
Show SMILES Cn1c2CCNC(=O)c2cc1-c1ccnc(NC2CCOCC2)n1
Show InChI InChI=1S/C17H21N5O2/c1-22-14-3-7-18-16(23)12(14)10-15(22)13-2-6-19-17(21-13)20-11-4-8-24-9-5-11/h2,6,10-11H,3-5,7-9H2,1H3,(H,18,23)(H,19,20,21)
PDB
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n/an/a>1.00E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of MEK1 (unknown origin)


J Med Chem 60: 3438-3450 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00267
BindingDB Entry DOI: 10.7270/Q2FJ2K8J
More data for this
Ligand-Target Pair