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14 similar compounds to monomer 50149805

Compile data set for download or QSAR
Wt: 296.3
BDBM109139
Wt: 290.3
BDBM109145
Wt: 302.3
BDBM109163
Wt: 294.3
BDBM109097
Wt: 290.3
BDBM109099
Wt: 310.8
BDBM109101
Wt: 256.3
BDBM109124
Wt: 316.3
BDBM109127
Wt: 304.4
BDBM109129
Wt: 277.3
BDBM50149794
Wt: 277.3
BDBM50149795
Wt: 277.3
BDBM50149796
Wt: 276.3
BDBM50149801
Wt: 294.3
BDBM50181778

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 20 hits for monomerid = 109139,109145,109163,109097,109099,109101,109124,109127,109129,50149794,50149795,50149796,50149801,50181778   
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


(Rattus norvegicus (Rat))
BDBM109101
PNG
(US8609852, 7)
Show SMILES Cc1nc(cs1)C#Cc1ccc(nc1)-c1ccccc1Cl
Show InChI InChI=1S/C17H11ClN2S/c1-12-20-14(11-21-12)8-6-13-7-9-17(19-10-13)15-4-2-3-5-16(15)18/h2-5,7,9-11H,1H3
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US Patent
0.700 -12.5n/an/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Binding assays were performed as described in Schaffhauser H, Richards J G, Cartmell J, Chaboz S, Kemp J A, Klingelschmidt A, Messer J, Stadler H, Wo...


US Patent US8609852 (2013)


BindingDB Entry DOI: 10.7270/Q27M06K3
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM109099
PNG
(US8609852, 5)
Show SMILES Cc1nc(cs1)C#Cc1ccc(nc1)-c1ccccc1C
Show InChI InChI=1S/C18H14N2S/c1-13-5-3-4-6-17(13)18-10-8-15(11-19-18)7-9-16-12-21-14(2)20-16/h3-6,8,10-12H,1-2H3
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US Patent
1 -12.3n/an/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Binding assays were performed as described in Schaffhauser H, Richards J G, Cartmell J, Chaboz S, Kemp J A, Klingelschmidt A, Messer J, Stadler H, Wo...


US Patent US8609852 (2013)


BindingDB Entry DOI: 10.7270/Q27M06K3
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM109139
PNG
(US8609852, 46)
Show SMILES Cc1[nH+]c(cs1)C#Cc1ccc([nH+]c1)-c1ccc(F)cc1
Show InChI InChI=1S/C17H11FN2S/c1-12-20-16(11-21-12)8-2-13-3-9-17(19-10-13)14-4-6-15(18)7-5-14/h3-7,9-11H,1H3/p+2
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US Patent
2 -11.9n/an/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Binding assays were performed as described in Schaffhauser H, Richards J G, Cartmell J, Chaboz S, Kemp J A, Klingelschmidt A, Messer J, Stadler H, Wo...


US Patent US8609852 (2013)


BindingDB Entry DOI: 10.7270/Q27M06K3
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50149801
PNG
(2-Phenyl-5-(2-methylthiazol-4ylethynyl)pyridine | ...)
Show SMILES Cc1nc(cs1)C#Cc1ccc(nc1)-c1ccccc1
Show InChI InChI=1S/C17H12N2S/c1-13-19-16(12-20-13)9-7-14-8-10-17(18-11-14)15-5-3-2-4-6-15/h2-6,8,10-12H,1H3
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2n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement by compound of [3H]-3-methoxy-5-(pyridin-2-ylethynyl)pyridine from rat cortical membranes


Bioorg Med Chem Lett 14: 3993-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.037
BindingDB Entry DOI: 10.7270/Q2T43SKQ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM109145
PNG
(US8609852, 52)
Show SMILES Cc1nc(cs1)C#Cc1ccc(nc1)-c1cccc(C)c1
Show InChI InChI=1S/C18H14N2S/c1-13-4-3-5-16(10-13)18-9-7-15(11-19-18)6-8-17-12-21-14(2)20-17/h3-5,7,9-12H,1-2H3
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US Patent
2 -11.9n/an/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Binding assays were performed as described in Schaffhauser H, Richards J G, Cartmell J, Chaboz S, Kemp J A, Klingelschmidt A, Messer J, Stadler H, Wo...


US Patent US8609852 (2013)


BindingDB Entry DOI: 10.7270/Q27M06K3
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM109097
PNG
(US8609852, 3)
Show SMILES Cc1nc(cs1)C#Cc1ccc(nc1)-c1cccc(F)c1
Show InChI InChI=1S/C17H11FN2S/c1-12-20-16(11-21-12)7-5-13-6-8-17(19-10-13)14-3-2-4-15(18)9-14/h2-4,6,8-11H,1H3
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US Patent
2.70 -11.7n/an/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Binding assays were performed as described in Schaffhauser H, Richards J G, Cartmell J, Chaboz S, Kemp J A, Klingelschmidt A, Messer J, Stadler H, Wo...


US Patent US8609852 (2013)


BindingDB Entry DOI: 10.7270/Q27M06K3
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM109129
PNG
(US8609852, 36)
Show SMILES Cc1nc(cs1)C#Cc1ccc(nc1)-c1c(C)cccc1C
Show InChI InChI=1S/C19H16N2S/c1-13-5-4-6-14(2)19(13)18-10-8-16(11-20-18)7-9-17-12-22-15(3)21-17/h4-6,8,10-12H,1-3H3
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US Patent
3 -11.6n/an/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Binding assays were performed as described in Schaffhauser H, Richards J G, Cartmell J, Chaboz S, Kemp J A, Klingelschmidt A, Messer J, Stadler H, Wo...


US Patent US8609852 (2013)


BindingDB Entry DOI: 10.7270/Q27M06K3
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM109163
PNG
(US8609852, 70)
Show SMILES Cc1nc(cs1)C#Cc1ccc([nH+]c1)-c1cccc(c1)C#N
Show InChI InChI=1S/C18H11N3S/c1-13-21-17(12-22-13)7-5-14-6-8-18(20-11-14)16-4-2-3-15(9-16)10-19/h2-4,6,8-9,11-12H,1H3/p+1
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US Patent
5 -11.3n/an/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Binding assays were performed as described in Schaffhauser H, Richards J G, Cartmell J, Chaboz S, Kemp J A, Klingelschmidt A, Messer J, Stadler H, Wo...


US Patent US8609852 (2013)


BindingDB Entry DOI: 10.7270/Q27M06K3
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50149801
PNG
(2-Phenyl-5-(2-methylthiazol-4ylethynyl)pyridine | ...)
Show SMILES Cc1nc(cs1)C#Cc1ccc(nc1)-c1ccccc1
Show InChI InChI=1S/C17H12N2S/c1-13-19-16(12-20-13)9-7-14-8-10-17(18-11-14)15-5-3-2-4-6-15/h2-6,8,10-12H,1H3
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5.5n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from cloned mGluR5 (unknown origin) expressed in HEK293T cells by scintillation counting


J Med Chem 52: 3563-75 (2009)


Article DOI: 10.1021/jm900172f
BindingDB Entry DOI: 10.7270/Q2K937FV
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM109124
PNG
(US8609852, 31)
Show SMILES Cc1nc(cs1)C#Cc1ccc(nc1)C(C)(C)C
Show InChI InChI=1S/C15H16N2S/c1-11-17-13(10-18-11)7-5-12-6-8-14(16-9-12)15(2,3)4/h6,8-10H,1-4H3
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US Patent
12.2 -10.8n/an/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Binding assays were performed as described in Schaffhauser H, Richards J G, Cartmell J, Chaboz S, Kemp J A, Klingelschmidt A, Messer J, Stadler H, Wo...


US Patent US8609852 (2013)


BindingDB Entry DOI: 10.7270/Q27M06K3
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM109127
PNG
(US8609852, 34)
Show SMILES Cc1nc(cs1)C#Cc1ccc([nH+]c1)-c1cc(C)cc(c1)C#N
Show InChI InChI=1S/C19H13N3S/c1-13-7-16(10-20)9-17(8-13)19-6-4-15(11-21-19)3-5-18-12-23-14(2)22-18/h4,6-9,11-12H,1-2H3/p+1
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US Patent
15 -10.7n/an/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Binding assays were performed as described in Schaffhauser H, Richards J G, Cartmell J, Chaboz S, Kemp J A, Klingelschmidt A, Messer J, Stadler H, Wo...


US Patent US8609852 (2013)


BindingDB Entry DOI: 10.7270/Q27M06K3
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50149796
PNG
(5-(2-Methyl-thiazol-4-ylethynyl)-[2,2'']bipyridiny...)
Show SMILES Cc1nc(cs1)C#Cc1ccc(nc1)-c1ccccn1
Show InChI InChI=1S/C16H11N3S/c1-12-19-14(11-20-12)7-5-13-6-8-16(18-10-13)15-4-2-3-9-17-15/h2-4,6,8-11H,1H3
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16n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement by compound of [3H]-3-methoxy-5-(pyridin-2-ylethynyl)pyridine from rat cortical membranes


Bioorg Med Chem Lett 14: 3993-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.037
BindingDB Entry DOI: 10.7270/Q2T43SKQ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50149795
PNG
(5-(2-Methyl-thiazol-4-ylethynyl)-[2,4'']bipyridiny...)
Show SMILES Cc1nc(cs1)C#Cc1ccc(nc1)-c1ccncc1
Show InChI InChI=1S/C16H11N3S/c1-12-19-15(11-20-12)4-2-13-3-5-16(18-10-13)14-6-8-17-9-7-14/h3,5-11H,1H3
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21n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement by compound of [3H]-3-methoxy-5-(pyridin-2-ylethynyl)pyridine from rat cortical membranes


Bioorg Med Chem Lett 14: 3993-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.037
BindingDB Entry DOI: 10.7270/Q2T43SKQ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50149794
PNG
(5''-(2-Methyl-thiazol-4-ylethynyl)-[2,3'']bipyridi...)
Show SMILES Cc1nc(cs1)C#Cc1cncc(c1)-c1ccccn1
Show InChI InChI=1S/C16H11N3S/c1-12-19-15(11-20-12)6-5-13-8-14(10-17-9-13)16-4-2-3-7-18-16/h2-4,7-11H,1H3
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28n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement by compound of [3H]-3-methoxy-5-(pyridin-2-ylethynyl)pyridine from rat cortical membranes


Bioorg Med Chem Lett 14: 3993-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.037
BindingDB Entry DOI: 10.7270/Q2T43SKQ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50149801
PNG
(2-Phenyl-5-(2-methylthiazol-4ylethynyl)pyridine | ...)
Show SMILES Cc1nc(cs1)C#Cc1ccc(nc1)-c1ccccc1
Show InChI InChI=1S/C17H12N2S/c1-13-19-16(12-20-13)9-7-14-8-10-17(18-11-14)15-5-3-2-4-6-15/h2-6,8,10-12H,1H3
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n/an/a 1.20n/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR5 expressed in HEK293A cells assessed as glutamate-induced calcium flux preincubated for 140 sec before glutamate cha...


J Med Chem 52: 3563-75 (2009)


Article DOI: 10.1021/jm900172f
BindingDB Entry DOI: 10.7270/Q2K937FV
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50181778
PNG
(2-(4-fluorophenyl)-5-[(2-methyl-4-thiazolyl)ethyny...)
Show SMILES Cc1nc(cs1)C#Cc1ccc(nc1)-c1ccc(F)cc1
Show InChI InChI=1S/C17H11FN2S/c1-12-20-16(11-21-12)8-2-13-3-9-17(19-10-13)14-4-6-15(18)7-5-14/h3-7,9-11H,1H3
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n/an/a 10.2n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Activity in agonist-induced phosphoinositide hydrolysis in CHO cells expressing mGluR5a


J Med Chem 49: 1080-100 (2006)


Article DOI: 10.1021/jm050570f
BindingDB Entry DOI: 10.7270/Q27S7NC5
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50149801
PNG
(2-Phenyl-5-(2-methylthiazol-4ylethynyl)pyridine | ...)
Show SMILES Cc1nc(cs1)C#Cc1ccc(nc1)-c1ccccc1
Show InChI InChI=1S/C17H12N2S/c1-13-19-16(12-20-13)9-7-14-8-10-17(18-11-14)15-5-3-2-4-6-15/h2-6,8,10-12H,1H3
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n/an/a 0.5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro potency against human recombinant mGlu5 receptor was determined by [Ca2+] flux assay using glutamate as agonist


Bioorg Med Chem Lett 14: 3993-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.037
BindingDB Entry DOI: 10.7270/Q2T43SKQ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50149796
PNG
(5-(2-Methyl-thiazol-4-ylethynyl)-[2,2'']bipyridiny...)
Show SMILES Cc1nc(cs1)C#Cc1ccc(nc1)-c1ccccn1
Show InChI InChI=1S/C16H11N3S/c1-12-19-14(11-20-12)7-5-13-6-8-16(18-10-13)15-4-2-3-9-17-15/h2-4,6,8-11H,1H3
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n/an/a 4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro potency against human recombinant mGlu5 receptor was determined by [Ca2+] flux assay using glutamate as agonist


Bioorg Med Chem Lett 14: 3993-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.037
BindingDB Entry DOI: 10.7270/Q2T43SKQ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50149795
PNG
(5-(2-Methyl-thiazol-4-ylethynyl)-[2,4'']bipyridiny...)
Show SMILES Cc1nc(cs1)C#Cc1ccc(nc1)-c1ccncc1
Show InChI InChI=1S/C16H11N3S/c1-12-19-15(11-20-12)4-2-13-3-5-16(18-10-13)14-6-8-17-9-7-14/h3,5-11H,1H3
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n/an/a 29n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro potency against human recombinant mGlu5 receptor was determined by [Ca2+] flux assay using glutamate as agonist


Bioorg Med Chem Lett 14: 3993-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.037
BindingDB Entry DOI: 10.7270/Q2T43SKQ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50149794
PNG
(5''-(2-Methyl-thiazol-4-ylethynyl)-[2,3'']bipyridi...)
Show SMILES Cc1nc(cs1)C#Cc1cncc(c1)-c1ccccn1
Show InChI InChI=1S/C16H11N3S/c1-12-19-15(11-20-12)6-5-13-8-14(10-17-9-13)16-4-2-3-7-18-16/h2-4,7-11H,1H3
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n/an/a 22n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro potency against human recombinant mGlu5 receptor was determined by [Ca2+] flux assay using glutamate as agonist


Bioorg Med Chem Lett 14: 3993-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.037
BindingDB Entry DOI: 10.7270/Q2T43SKQ
More data for this
Ligand-Target Pair