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6 similar compounds to monomer 50191157

Compile data set for download or QSAR
Wt: 271.7
BDBM50191118
Wt: 257.7
BDBM50191158
Wt: 292.1
BDBM50191139
Wt: 223.2
BDBM50191140
Wt: 253.2
BDBM50191145
Wt: 257.7
BDBM50191147

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50191118,50191158,50191139,50191140,50191145,50191147   
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))
BDBM50191118
PNG
(2-(3-(3-chlorophenoxy)but-1-ynyl)-6-methylpyridine...)
Show SMILES CC(Oc1cccc(Cl)c1)C#Cc1cccc(C)n1
Show InChI InChI=1S/C16H14ClNO/c1-12-5-3-7-15(18-12)10-9-13(2)19-16-8-4-6-14(17)11-16/h3-8,11,13H,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 281n/an/an/an/an/an/a



AstraZeneca R&D Mölndal

Curated by ChEMBL


Assay Description
Activity at human mGluR5d assessed as inhibition of glutamate-induced calcium influx by FLIPR assay


Bioorg Med Chem Lett 16: 4788-91 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.078
BindingDB Entry DOI: 10.7270/Q2VX0G48
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50191139
PNG
(2-(3-(3,4-dichlorophenoxy)prop-1-ynyl)-6-methylpyr...)
Show SMILES Cc1cccc(n1)C#CCOc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C15H11Cl2NO/c1-11-4-2-5-12(18-11)6-3-9-19-13-7-8-14(16)15(17)10-13/h2,4-5,7-8,10H,9H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 15n/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))
BDBM50191158
PNG
(2-(3-(2-chlorophenoxy)prop-1-ynyl)-6-methylpyridin...)
Show SMILES Cc1cccc(n1)C#CCOc1ccccc1Cl
Show InChI InChI=1S/C15H12ClNO/c1-12-6-4-7-13(17-12)8-5-11-18-15-10-3-2-9-14(15)16/h2-4,6-7,9-10H,11H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>3.00E+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))
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
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50191145
PNG
(2-(3-(4-methoxyphenoxy)prop-1-ynyl)-6-methylpyridi...)
Show SMILES COc1ccc(OCC#Cc2cccc(C)n2)cc1
Show InChI InChI=1S/C16H15NO2/c1-13-5-3-6-14(17-13)7-4-12-19-16-10-8-15(18-2)9-11-16/h3,5-6,8-11H,12H2,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 455n/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))
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
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
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 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