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BDBM50293721 CHEMBL562551::N-(4-chloro-3-methoxyphenyl)picolinamide::cid_44191096

SMILES: COc1cc(NC(=O)c2ccccn2)ccc1Cl

InChI Key: InChIKey=ARYUXFNGXHNNDM-UHFFFAOYSA-N

Data: 7 IC50  9 EC50

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 16 hits for monomerid = 50293721   
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
metabotropic glutamate 1/2


(RAT)
BDBM50293721
PNG
(CHEMBL562551 | N-(4-chloro-3-methoxyphenyl)picolin...)
Show SMILES COc1cc(NC(=O)c2ccccn2)ccc1Cl
Show InChI InChI=1S/C13H11ClN2O2/c1-18-12-8-9(5-6-10(12)14)16-13(17)11-4-2-3-7-15-11/h2-8H,1H3,(H,16,17)
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n/an/an/an/a 2.34E+3n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Assigned Assay Grant Number: NS053536-01 Screening Center Name & PI: Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters, C. David W...


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50293721
PNG
(CHEMBL562551 | N-(4-chloro-3-methoxyphenyl)picolin...)
Show SMILES COc1cc(NC(=O)c2ccccn2)ccc1Cl
Show InChI InChI=1S/C13H11ClN2O2/c1-18-12-8-9(5-6-10(12)14)16-13(17)11-4-2-3-7-15-11/h2-8H,1H3,(H,16,17)
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n/an/a>3.00E+4n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 in human liver microsomes using 1-hydroxymidazolam as substrate


J Med Chem 54: 7639-47 (2011)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 8 (mGlu8)


(Rattus norvegicus (Rat))
BDBM50293721
PNG
(CHEMBL562551 | N-(4-chloro-3-methoxyphenyl)picolin...)
Show SMILES COc1cc(NC(=O)c2ccccn2)ccc1Cl
Show InChI InChI=1S/C13H11ClN2O2/c1-18-12-8-9(5-6-10(12)14)16-13(17)11-4-2-3-7-15-11/h2-8H,1H3,(H,16,17)
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n/an/an/an/a 6.17E+3n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Assigned Assay Grant Number: NS053536-01 Screening Center Name & PI: Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters, C. David W...


Citation and Details
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 7 (mGlu7)


(Rattus norvegicus (Rat))
BDBM50293721
PNG
(CHEMBL562551 | N-(4-chloro-3-methoxyphenyl)picolin...)
Show SMILES COc1cc(NC(=O)c2ccccn2)ccc1Cl
Show InChI InChI=1S/C13H11ClN2O2/c1-18-12-8-9(5-6-10(12)14)16-13(17)11-4-2-3-7-15-11/h2-8H,1H3,(H,16,17)
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n/an/an/an/a 4.45E+5n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Assigned Assay Grant Number: NS053536-01 Screening Center Name & PI: Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters, C. David W...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
glutamate receptor, metabotropic 4 precursor


(Rattus norvegicus)
BDBM50293721
PNG
(CHEMBL562551 | N-(4-chloro-3-methoxyphenyl)picolin...)
Show SMILES COc1cc(NC(=O)c2ccccn2)ccc1Cl
Show InChI InChI=1S/C13H11ClN2O2/c1-18-12-8-9(5-6-10(12)14)16-13(17)11-4-2-3-7-15-11/h2-8H,1H3,(H,16,17)
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n/an/an/an/a 107n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Assay Provider: Colleen Niswender Assay Provider Affiliation: Vanderbilt University The primary pathophysiological change giving rise to the symptoms...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2 (mGluR2)


(Homo sapiens (Human))
BDBM50293721
PNG
(CHEMBL562551 | N-(4-chloro-3-methoxyphenyl)picolin...)
Show SMILES COc1cc(NC(=O)c2ccccn2)ccc1Cl
Show InChI InChI=1S/C13H11ClN2O2/c1-18-12-8-9(5-6-10(12)14)16-13(17)11-4-2-3-7-15-11/h2-8H,1H3,(H,16,17)
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n/an/an/an/a 2.42E+3n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Assigned Assay Grant Number: NS053536-01 Screening Center Name & PI: Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters, C. David W...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4 (mGlu4)


(Rattus norvegicus (Rat))
BDBM50293721
PNG
(CHEMBL562551 | N-(4-chloro-3-methoxyphenyl)picolin...)
Show SMILES COc1cc(NC(=O)c2ccccn2)ccc1Cl
Show InChI InChI=1S/C13H11ClN2O2/c1-18-12-8-9(5-6-10(12)14)16-13(17)11-4-2-3-7-15-11/h2-8H,1H3,(H,16,17)
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n/an/a 13n/an/an/an/an/an/a



Massachusetts General Hospital

Curated by ChEMBL


Assay Description
Displacement of [3H]ML128 from rat mGlu4 receptor expressed in CHO cells after 30 mins by liquid scintillation counting analysis


J Med Chem 57: 9130-8 (2014)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4 (mGlu4)


(Rattus norvegicus (Rat))
BDBM50293721
PNG
(CHEMBL562551 | N-(4-chloro-3-methoxyphenyl)picolin...)
Show SMILES COc1cc(NC(=O)c2ccccn2)ccc1Cl
Show InChI InChI=1S/C13H11ClN2O2/c1-18-12-8-9(5-6-10(12)14)16-13(17)11-4-2-3-7-15-11/h2-8H,1H3,(H,16,17)
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n/an/a 13n/an/an/an/an/an/a



Massachusetts General Hospital

Curated by ChEMBL


Assay Description
Displacement of [3H]ML128 from rat mGlu4 receptor expressed in CHO cells after 30 mins by liquid scintillation counting analysis


J Med Chem 57: 9130-8 (2014)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4 (mGluR4)


(Homo sapiens (Human))
BDBM50293721
PNG
(CHEMBL562551 | N-(4-chloro-3-methoxyphenyl)picolin...)
Show SMILES COc1cc(NC(=O)c2ccccn2)ccc1Cl
Show InChI InChI=1S/C13H11ClN2O2/c1-18-12-8-9(5-6-10(12)14)16-13(17)11-4-2-3-7-15-11/h2-8H,1H3,(H,16,17)
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n/an/a 5.10n/an/an/an/an/an/a



Massachusetts General Hospital

Curated by ChEMBL


Assay Description
Displacement of [3H]N-(4-chloro-3-methoxyphenyl)picolinamide from human mGlu4 receptor expressed in CHO cell membranes incubated for 30 mins by liqui...


Citation and Details
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4 (mGluR4)


(Homo sapiens (Human))
BDBM50293721
PNG
(CHEMBL562551 | N-(4-chloro-3-methoxyphenyl)picolin...)
Show SMILES COc1cc(NC(=O)c2ccccn2)ccc1Cl
Show InChI InChI=1S/C13H11ClN2O2/c1-18-12-8-9(5-6-10(12)14)16-13(17)11-4-2-3-7-15-11/h2-8H,1H3,(H,16,17)
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n/an/a 5.10n/an/an/an/an/an/a



Massachusetts General Hospital

Curated by ChEMBL


Assay Description
Displacement of [3H]N-(4-chloro-3-methoxyphenyl)picolinamide from human mGlu4 receptor expressed in CHO cell membranes incubated for 30 mins by liqui...


Citation and Details
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4 (mGlu4)


(Rattus norvegicus (Rat))
BDBM50293721
PNG
(CHEMBL562551 | N-(4-chloro-3-methoxyphenyl)picolin...)
Show SMILES COc1cc(NC(=O)c2ccccn2)ccc1Cl
Show InChI InChI=1S/C13H11ClN2O2/c1-18-12-8-9(5-6-10(12)14)16-13(17)11-4-2-3-7-15-11/h2-8H,1H3,(H,16,17)
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n/an/an/an/a 110n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Activity at rat mGluR4 receptor expressed in HEK293 cells assessed as effect on thallium flux


J Med Chem 52: 4115-8 (2009)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4 (mGluR4)


(Homo sapiens (Human))
BDBM50293721
PNG
(CHEMBL562551 | N-(4-chloro-3-methoxyphenyl)picolin...)
Show SMILES COc1cc(NC(=O)c2ccccn2)ccc1Cl
Show InChI InChI=1S/C13H11ClN2O2/c1-18-12-8-9(5-6-10(12)14)16-13(17)11-4-2-3-7-15-11/h2-8H,1H3,(H,16,17)
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n/an/an/an/a 240n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Activity at human mGluR4 receptor expressed in CHO cells assessed as effect on calcium mobilization


J Med Chem 52: 4115-8 (2009)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4 (mGluR4)


(Homo sapiens (Human))
BDBM50293721
PNG
(CHEMBL562551 | N-(4-chloro-3-methoxyphenyl)picolin...)
Show SMILES COc1cc(NC(=O)c2ccccn2)ccc1Cl
Show InChI InChI=1S/C13H11ClN2O2/c1-18-12-8-9(5-6-10(12)14)16-13(17)11-4-2-3-7-15-11/h2-8H,1H3,(H,16,17)
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n/an/an/an/a 240n/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGlu4 receptor expressed in BHK cells assessed as potentiation of glutamate-induced calcium mobilization afte...


J Med Chem 54: 5070-81 (2011)

More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (human))
BDBM50293721
PNG
(CHEMBL562551 | N-(4-chloro-3-methoxyphenyl)picolin...)
Show SMILES COc1cc(NC(=O)c2ccccn2)ccc1Cl
Show InChI InChI=1S/C13H11ClN2O2/c1-18-12-8-9(5-6-10(12)14)16-13(17)11-4-2-3-7-15-11/h2-8H,1H3,(H,16,17)
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n/an/a>3.00E+4n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 in human liver microsomes using 4-hydroxydiclofenac as substrate


J Med Chem 54: 7639-47 (2011)

More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50293721
PNG
(CHEMBL562551 | N-(4-chloro-3-methoxyphenyl)picolin...)
Show SMILES COc1cc(NC(=O)c2ccccn2)ccc1Cl
Show InChI InChI=1S/C13H11ClN2O2/c1-18-12-8-9(5-6-10(12)14)16-13(17)11-4-2-3-7-15-11/h2-8H,1H3,(H,16,17)
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n/an/a>3.00E+4n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 in human liver microsomes using dextrophan tartarate as substrate


J Med Chem 54: 7639-47 (2011)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4 (mGluR4)


(Homo sapiens (Human))
BDBM50293721
PNG
(CHEMBL562551 | N-(4-chloro-3-methoxyphenyl)picolin...)
Show SMILES COc1cc(NC(=O)c2ccccn2)ccc1Cl
Show InChI InChI=1S/C13H11ClN2O2/c1-18-12-8-9(5-6-10(12)14)16-13(17)11-4-2-3-7-15-11/h2-8H,1H3,(H,16,17)
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n/an/an/an/a 239n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Assay Provider: Colleen Niswender Assay Provider Affiliation: Vanderbilt University The primary pathophysiological change giving rise to the symptoms...


Citation and Details
More data for this
Ligand-Target Pair