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BDBM46421 4-(4-methylphenoxy)-N-(4-pyridinylmethyl)benzenecarboxamide::4-(4-methylphenoxy)-N-(4-pyridylmethyl)benzamide::4-(4-methylphenoxy)-N-(pyridin-4-ylmethyl)benzamide::MLS000755676::SMR000337350::cid_4358655

SMILES: Cc1ccc(Oc2ccc(cc2)C(=O)NCc2ccncc2)cc1

InChI Key: InChIKey=KUELMQAVLKNHFA-UHFFFAOYSA-N

Data: 11 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 11 hits for monomerid = 46421   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
STAT3


(Homo sapiens (Human))
BDBM46421
PNG
(4-(4-methylphenoxy)-N-(4-pyridinylmethyl)benzeneca...)
Show SMILES Cc1ccc(Oc2ccc(cc2)C(=O)NCc2ccncc2)cc1
Show InChI InChI=1S/C20H18N2O2/c1-15-2-6-18(7-3-15)24-19-8-4-17(5-9-19)20(23)22-14-16-10-12-21-13-11-16/h2-13H,14H2,1H3,(H,22,23)
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PCBioAssay
n/an/a 5.36E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2TQ5ZXW
More data for this
Ligand-Target Pair
Transcription Factor STAT1


(Homo sapiens (Human))
BDBM46421
PNG
(4-(4-methylphenoxy)-N-(4-pyridinylmethyl)benzeneca...)
Show SMILES Cc1ccc(Oc2ccc(cc2)C(=O)NCc2ccncc2)cc1
Show InChI InChI=1S/C20H18N2O2/c1-15-2-6-18(7-3-15)24-19-8-4-17(5-9-19)20(23)22-14-16-10-12-21-13-11-16/h2-13H,14H2,1H3,(H,22,23)
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n/an/a>5.57E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2K935ZR
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM46421
PNG
(4-(4-methylphenoxy)-N-(4-pyridinylmethyl)benzeneca...)
Show SMILES Cc1ccc(Oc2ccc(cc2)C(=O)NCc2ccncc2)cc1
Show InChI InChI=1S/C20H18N2O2/c1-15-2-6-18(7-3-15)24-19-8-4-17(5-9-19)20(23)22-14-16-10-12-21-13-11-16/h2-13H,14H2,1H3,(H,22,23)
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PubMed
n/an/a 4.70E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 5'-c-myc, His6-tagged p38-alpha using MK2 (46 to 400) as substrate assessed as inhibition of phosphorylation after 60...


J Med Chem 58: 278-93 (2015)


Article DOI: 10.1021/jm501038s
BindingDB Entry DOI: 10.7270/Q269758W
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM46421
PNG
(4-(4-methylphenoxy)-N-(4-pyridinylmethyl)benzeneca...)
Show SMILES Cc1ccc(Oc2ccc(cc2)C(=O)NCc2ccncc2)cc1
Show InChI InChI=1S/C20H18N2O2/c1-15-2-6-18(7-3-15)24-19-8-4-17(5-9-19)20(23)22-14-16-10-12-21-13-11-16/h2-13H,14H2,1H3,(H,22,23)
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n/an/a 2.20E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 5'-c-myc, His6-tagged p38-alpha using MSK1 as substrate assessed as inhibition of phosphorylation after 60 mins by EL...


J Med Chem 58: 278-93 (2015)


Article DOI: 10.1021/jm501038s
BindingDB Entry DOI: 10.7270/Q269758W
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM46421
PNG
(4-(4-methylphenoxy)-N-(4-pyridinylmethyl)benzeneca...)
Show SMILES Cc1ccc(Oc2ccc(cc2)C(=O)NCc2ccncc2)cc1
Show InChI InChI=1S/C20H18N2O2/c1-15-2-6-18(7-3-15)24-19-8-4-17(5-9-19)20(23)22-14-16-10-12-21-13-11-16/h2-13H,14H2,1H3,(H,22,23)
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n/an/a>1.00E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of p38-alpha (unknown origin) by p38alpha-MBP IoC assay


J Med Chem 58: 278-93 (2015)


Article DOI: 10.1021/jm501038s
BindingDB Entry DOI: 10.7270/Q269758W
More data for this
Ligand-Target Pair
Matrix metalloproteinase-12 (MMP12)


(Homo sapiens (Human))
BDBM46421
PNG
(4-(4-methylphenoxy)-N-(4-pyridinylmethyl)benzeneca...)
Show SMILES Cc1ccc(Oc2ccc(cc2)C(=O)NCc2ccncc2)cc1
Show InChI InChI=1S/C20H18N2O2/c1-15-2-6-18(7-3-15)24-19-8-4-17(5-9-19)20(23)22-14-16-10-12-21-13-11-16/h2-13H,14H2,1H3,(H,22,23)
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n/an/a>1.00E+5n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of MMP12


Bioorg Med Chem Lett 21: 4215-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.075
BindingDB Entry DOI: 10.7270/Q2WH2R89
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM46421
PNG
(4-(4-methylphenoxy)-N-(4-pyridinylmethyl)benzeneca...)
Show SMILES Cc1ccc(Oc2ccc(cc2)C(=O)NCc2ccncc2)cc1
Show InChI InChI=1S/C20H18N2O2/c1-15-2-6-18(7-3-15)24-19-8-4-17(5-9-19)20(23)22-14-16-10-12-21-13-11-16/h2-13H,14H2,1H3,(H,22,23)
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n/an/a 5.01E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of MMP2


Bioorg Med Chem Lett 21: 4215-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.075
BindingDB Entry DOI: 10.7270/Q2WH2R89
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM46421
PNG
(4-(4-methylphenoxy)-N-(4-pyridinylmethyl)benzeneca...)
Show SMILES Cc1ccc(Oc2ccc(cc2)C(=O)NCc2ccncc2)cc1
Show InChI InChI=1S/C20H18N2O2/c1-15-2-6-18(7-3-15)24-19-8-4-17(5-9-19)20(23)22-14-16-10-12-21-13-11-16/h2-13H,14H2,1H3,(H,22,23)
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n/an/a 1.00E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP13 using Mca-Pro-cyclohexyl-Ala-Gly-Nva-His-Ala-Dap(Dnp)-NH2 substrate


Bioorg Med Chem Lett 21: 4215-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.075
BindingDB Entry DOI: 10.7270/Q2WH2R89
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14 (MMP14)


(Homo sapiens (Human))
BDBM46421
PNG
(4-(4-methylphenoxy)-N-(4-pyridinylmethyl)benzeneca...)
Show SMILES Cc1ccc(Oc2ccc(cc2)C(=O)NCc2ccncc2)cc1
Show InChI InChI=1S/C20H18N2O2/c1-15-2-6-18(7-3-15)24-19-8-4-17(5-9-19)20(23)22-14-16-10-12-21-13-11-16/h2-13H,14H2,1H3,(H,22,23)
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n/an/a>1.00E+5n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of MMP14


Bioorg Med Chem Lett 21: 4215-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.075
BindingDB Entry DOI: 10.7270/Q2WH2R89
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM46421
PNG
(4-(4-methylphenoxy)-N-(4-pyridinylmethyl)benzeneca...)
Show SMILES Cc1ccc(Oc2ccc(cc2)C(=O)NCc2ccncc2)cc1
Show InChI InChI=1S/C20H18N2O2/c1-15-2-6-18(7-3-15)24-19-8-4-17(5-9-19)20(23)22-14-16-10-12-21-13-11-16/h2-13H,14H2,1H3,(H,22,23)
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n/an/a>1.00E+5n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of MMP9


Bioorg Med Chem Lett 21: 4215-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.075
BindingDB Entry DOI: 10.7270/Q2WH2R89
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))
BDBM46421
PNG
(4-(4-methylphenoxy)-N-(4-pyridinylmethyl)benzeneca...)
Show SMILES Cc1ccc(Oc2ccc(cc2)C(=O)NCc2ccncc2)cc1
Show InChI InChI=1S/C20H18N2O2/c1-15-2-6-18(7-3-15)24-19-8-4-17(5-9-19)20(23)22-14-16-10-12-21-13-11-16/h2-13H,14H2,1H3,(H,22,23)
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n/an/a 1.00E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 (unknown origin)


J Med Chem 58: 278-93 (2015)


Article DOI: 10.1021/jm501038s
BindingDB Entry DOI: 10.7270/Q269758W
More data for this
Ligand-Target Pair