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8 similar compounds to monomer 50191145

Compile data set for download or QSAR
Wt: 257.7
BDBM50191157
Wt: 223.2
BDBM50191140
Wt: 253.2
BDBM50191142
Wt: 239.2
BDBM50191143
Wt: 265.3
BDBM50191146
Wt: 257.7
BDBM50191147
Wt: 237.2
BDBM50191151
Wt: 354.4
BDBM50427962

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 50191157,50191140,50191142,50191143,50191146,50191147,50191151,50427962   
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 receptor 5


(Homo sapiens (Human))
BDBM50191140
PNG
(2-methyl-6-(3-phenoxyprop-1-ynyl)pyridine | CHEMBL...)
Show SMILES Cc1cccc(n1)C#CCOc1ccccc1
Show InChI InChI=1S/C15H13NO/c1-13-7-5-8-14(16-13)9-6-12-17-15-10-3-2-4-11-15/h2-5,7-8,10-11H,12H2,1H3
PDB
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Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



AstraZeneca R&D M£lndal

Curated by ChEMBL


Assay Description
Activity at human mGluR5 assessed as effect on glutamate-induced calcium ion mobilization by FLIPR


Bioorg Med Chem Lett 16: 4792-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.079
BindingDB Entry DOI: 10.7270/Q2M32WKC
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50191142
PNG
(2-(3-(3-methoxyphenoxy)prop-1-ynyl)-6-methylpyridi...)
Show SMILES COc1cccc(OCC#Cc2cccc(C)n2)c1
Show InChI InChI=1S/C16H15NO2/c1-13-6-3-7-14(17-13)8-5-11-19-16-10-4-9-15(12-16)18-2/h3-4,6-7,9-10,12H,11H2,1-2H3
PDB

UniProtKB/SwissProt

GoogleScholar
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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



AstraZeneca R&D M£lndal

Curated by ChEMBL


Assay Description
Activity at human mGluR1 assessed as effect on glutamate-induced calcium ion mobilization by FLIPR


Bioorg Med Chem Lett 16: 4792-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.079
BindingDB Entry DOI: 10.7270/Q2M32WKC
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50191143
PNG
(2-(3-(3-methoxyphenoxy)prop-1-ynyl)pyridine | CHEM...)
Show SMILES COc1cccc(OCC#Cc2ccccn2)c1
Show InChI InChI=1S/C15H13NO2/c1-17-14-8-4-9-15(12-14)18-11-5-7-13-6-2-3-10-16-13/h2-4,6,8-10,12H,11H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



AstraZeneca R&D M£lndal

Curated by ChEMBL


Assay Description
Activity at human mGluR1 assessed as effect on glutamate-induced calcium ion mobilization by FLIPR


Bioorg Med Chem Lett 16: 4792-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.079
BindingDB Entry DOI: 10.7270/Q2M32WKC
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50191146
PNG
(2-(3-(4-isopropylphenoxy)prop-1-ynyl)-6-methylpyri...)
Show SMILES CC(C)c1ccc(OCC#Cc2cccc(C)n2)cc1
Show InChI InChI=1S/C18H19NO/c1-14(2)16-9-11-18(12-10-16)20-13-5-8-17-7-4-6-15(3)19-17/h4,6-7,9-12,14H,13H2,1-3H3
PDB
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KEGG

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Article
PubMed
n/an/a 83n/an/an/an/an/an/a



AstraZeneca R&D M£lndal

Curated by ChEMBL


Assay Description
Activity at human mGluR5 assessed as effect on glutamate-induced calcium ion mobilization by FLIPR


Bioorg Med Chem Lett 16: 4792-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.079
BindingDB Entry DOI: 10.7270/Q2M32WKC
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50427962
PNG
(CHEMBL2325217)
Show SMILES C[n+]1c(cccc1C#CCOc1ccccc1)C#CCOc1ccccc1
Show InChI InChI=1S/C24H20NO2/c1-25-21(13-9-19-26-23-15-4-2-5-16-23)11-8-12-22(25)14-10-20-27-24-17-6-3-7-18-24/h2-8,11-12,15-18H,19-20H2,1H3/q+1
PDB
MMDB

Reactome pathway
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n/an/a 1.40E+4n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of [3H]astemizole from human ERG K+ channel expressed in HEK293 cells by scintillation spectrophotometric analysis


J Med Chem 56: 2828-40 (2013)


Article DOI: 10.1021/jm301564f
BindingDB Entry DOI: 10.7270/Q22V2HG3
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50191151
PNG
(2-methyl-6-(3-(p-tolyloxy)prop-1-ynyl)pyridine | C...)
Show SMILES Cc1ccc(OCC#Cc2cccc(C)n2)cc1
Show InChI InChI=1S/C16H15NO/c1-13-8-10-16(11-9-13)18-12-4-7-15-6-3-5-14(2)17-15/h3,5-6,8-11H,12H2,1-2H3
PDB
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KEGG

UniProtKB/SwissProt

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UniChem

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Article
PubMed
n/an/a 115n/an/an/an/an/an/a



AstraZeneca R&D M£lndal

Curated by ChEMBL


Assay Description
Activity at human mGluR5 assessed as effect on glutamate-induced calcium ion mobilization by FLIPR


Bioorg Med Chem Lett 16: 4792-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.079
BindingDB Entry DOI: 10.7270/Q2M32WKC
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50191157
PNG
(2-(3-(3-chlorophenoxy)prop-1-ynyl)-6-methylpyridin...)
Show SMILES Cc1cccc(n1)C#CCOc1cccc(Cl)c1
Show InChI InChI=1S/C15H12ClNO/c1-12-5-2-7-14(17-12)8-4-10-18-15-9-3-6-13(16)11-15/h2-3,5-7,9,11H,10H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 101n/an/an/an/an/an/a



AstraZeneca R&D M£lndal

Curated by ChEMBL


Assay Description
Activity at human mGluR5 assessed as effect on glutamate-induced calcium ion mobilization by FLIPR


Bioorg Med Chem Lett 16: 4792-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.079
BindingDB Entry DOI: 10.7270/Q2M32WKC
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50191143
PNG
(2-(3-(3-methoxyphenoxy)prop-1-ynyl)pyridine | CHEM...)
Show SMILES COc1cccc(OCC#Cc2ccccn2)c1
Show InChI InChI=1S/C15H13NO2/c1-17-14-8-4-9-15(12-14)18-11-5-7-13-6-2-3-10-16-13/h2-4,6,8-10,12H,11H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 1.54E+3n/an/an/an/an/an/a



AstraZeneca R&D M£lndal

Curated by ChEMBL


Assay Description
Activity at human mGluR5 assessed as effect on glutamate-induced calcium ion mobilization by FLIPR


Bioorg Med Chem Lett 16: 4792-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.079
BindingDB Entry DOI: 10.7270/Q2M32WKC
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50191142
PNG
(2-(3-(3-methoxyphenoxy)prop-1-ynyl)-6-methylpyridi...)
Show SMILES COc1cccc(OCC#Cc2cccc(C)n2)c1
Show InChI InChI=1S/C16H15NO2/c1-13-6-3-7-14(17-13)8-5-11-19-16-10-4-9-15(12-16)18-2/h3-4,6-7,9-10,12H,11H2,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 397n/an/an/an/an/an/a



AstraZeneca R&D M£lndal

Curated by ChEMBL


Assay Description
Activity at human mGluR5 assessed as effect on glutamate-induced calcium ion mobilization by FLIPR


Bioorg Med Chem Lett 16: 4792-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.079
BindingDB Entry DOI: 10.7270/Q2M32WKC
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50191147
PNG
(2-(3-(4-chlorophenoxy)prop-1-ynyl)-6-methylpyridin...)
Show SMILES Cc1cccc(n1)C#CCOc1ccc(Cl)cc1
Show InChI InChI=1S/C15H12ClNO/c1-12-4-2-5-14(17-12)6-3-11-18-15-9-7-13(16)8-10-15/h2,4-5,7-10H,11H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 102n/an/an/an/an/an/a



AstraZeneca R&D M£lndal

Curated by ChEMBL


Assay Description
Activity at human mGluR5 assessed as effect on glutamate-induced calcium ion mobilization by FLIPR


Bioorg Med Chem Lett 16: 4792-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.079
BindingDB Entry DOI: 10.7270/Q2M32WKC
More data for this
Ligand-Target Pair