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15 similar compounds to monomer 50305022

Compile data set for download or QSAR
Wt: 315.7
BDBM50305017
Wt: 301.7
BDBM50305018
Wt: 329.8
BDBM50305019
Wt: 343.8
BDBM50305020
Wt: 303.7
BDBM50305021
Wt: 329.8
BDBM50305023
Wt: 329.8
BDBM50305024
Wt: 329.8
BDBM50305025
Wt: 281.3
BDBM50305026
Wt: 315.7
BDBM50305028
Wt: 315.7
BDBM50305029
Wt: 295.3
BDBM50305031
Wt: 350.2
BDBM50305033
Wt: 329.8
BDBM50305057
Wt: 378.2
BDBM50336923

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 15 hits for monomerid = 50305017,50305018,50305019,50305020,50305021,50305023,50305024,50305025,50305026,50305028,50305029,50305031,50305033,50305057,50336923   
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))
BDBM50305017
PNG
((6-(4-chlorophenylamino)pyridin-3-yl)(piperidin-1-...)
Show SMILES Clc1ccc(Nc2ccc(cn2)C(=O)N2CCCCC2)cc1
Show InChI InChI=1S/C17H18ClN3O/c18-14-5-7-15(8-6-14)20-16-9-4-13(12-19-16)17(22)21-10-2-1-3-11-21/h4-9,12H,1-3,10-11H2,(H,19,20)
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n/an/a 310n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at human mGluR5 assessed as inhibition of glutamate-induced elevation of intracellular calcium concentration


Bioorg Med Chem Lett 20: 184-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.001
BindingDB Entry DOI: 10.7270/Q2QN66VN
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50336923
PNG
((R)-(5-chloro-6-(4-chlorophenylamino)pyridin-3-yl)...)
Show SMILES CC[C@@H]1CCCCN1C(=O)c1cnc(Nc2ccc(Cl)cc2)c(Cl)c1
Show InChI InChI=1S/C19H21Cl2N3O/c1-2-16-5-3-4-10-24(16)19(25)13-11-17(21)18(22-12-13)23-15-8-6-14(20)7-9-15/h6-9,11-12,16H,2-5,10H2,1H3,(H,22,23)/t16-/m1/s1
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TBA

Curated by ChEMBL


Assay Description
Antagonist activity at human mGlu5 receptor assessed as inhibition of glutamate-induced calcium flux by cell based assay


ACS Med Chem Lett 2: 58-62 (2011)


Article DOI: 10.1021/ml100215b
BindingDB Entry DOI: 10.7270/Q22R3RZM
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50305019
PNG
(CHEMBL594992 | azepan-1-yl(6-(4-chlorophenylamino)...)
Show SMILES Clc1ccc(Nc2ccc(cn2)C(=O)N2CCCCCC2)cc1
Show InChI InChI=1S/C18H20ClN3O/c19-15-6-8-16(9-7-15)21-17-10-5-14(13-20-17)18(23)22-11-3-1-2-4-12-22/h5-10,13H,1-4,11-12H2,(H,20,21)
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n/an/a 250n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at human mGluR5 assessed as inhibition of glutamate-induced elevation of intracellular calcium concentration


Bioorg Med Chem Lett 20: 184-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.001
BindingDB Entry DOI: 10.7270/Q2QN66VN
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50305020
PNG
(CHEMBL596587 | azocan-1-yl(6-(4-chlorophenylamino)...)
Show SMILES Clc1ccc(Nc2ccc(cn2)C(=O)N2CCCCCCC2)cc1
Show InChI InChI=1S/C19H22ClN3O/c20-16-7-9-17(10-8-16)22-18-11-6-15(14-21-18)19(24)23-12-4-2-1-3-5-13-23/h6-11,14H,1-5,12-13H2,(H,21,22)
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n/an/a 2.30E+3n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at human mGluR5 assessed as inhibition of glutamate-induced elevation of intracellular calcium concentration


Bioorg Med Chem Lett 20: 184-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.001
BindingDB Entry DOI: 10.7270/Q2QN66VN
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50305021
PNG
(6-(4-chlorophenylamino)-N,N-diethylnicotinamide | ...)
Show SMILES CCN(CC)C(=O)c1ccc(Nc2ccc(Cl)cc2)nc1
Show InChI InChI=1S/C16H18ClN3O/c1-3-20(4-2)16(21)12-5-10-15(18-11-12)19-14-8-6-13(17)7-9-14/h5-11H,3-4H2,1-2H3,(H,18,19)
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n/an/a 460n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at human mGluR5 assessed as inhibition of glutamate-induced elevation of intracellular calcium concentration


Bioorg Med Chem Lett 20: 184-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.001
BindingDB Entry DOI: 10.7270/Q2QN66VN
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50305023
PNG
(CHEMBL593141 | rac-(6-(4-chlorophenylamino)pyridin...)
Show SMILES CC1CCCN(C1)C(=O)c1ccc(Nc2ccc(Cl)cc2)nc1
Show InChI InChI=1S/C18H20ClN3O/c1-13-3-2-10-22(12-13)18(23)14-4-9-17(20-11-14)21-16-7-5-15(19)6-8-16/h4-9,11,13H,2-3,10,12H2,1H3,(H,20,21)
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n/an/a 530n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at human mGluR5 assessed as inhibition of glutamate-induced elevation of intracellular calcium concentration


Bioorg Med Chem Lett 20: 184-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.001
BindingDB Entry DOI: 10.7270/Q2QN66VN
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50305024
PNG
((6-(4-chlorophenylamino)pyridin-3-yl)(3-methylpipe...)
Show SMILES CC1CCN(CC1)C(=O)c1ccc(Nc2ccc(Cl)cc2)nc1
Show InChI InChI=1S/C18H20ClN3O/c1-13-8-10-22(11-9-13)18(23)14-2-7-17(20-12-14)21-16-5-3-15(19)4-6-16/h2-7,12-13H,8-11H2,1H3,(H,20,21)
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n/an/a 2.30E+3n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at human mGluR5 assessed as inhibition of glutamate-induced elevation of intracellular calcium concentration


Bioorg Med Chem Lett 20: 184-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.001
BindingDB Entry DOI: 10.7270/Q2QN66VN
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50305025
PNG
(6-(4-chlorophenylamino)-N-cyclohexylnicotinamide |...)
Show SMILES Clc1ccc(Nc2ccc(cn2)C(=O)NC2CCCCC2)cc1
Show InChI InChI=1S/C18H20ClN3O/c19-14-7-9-16(10-8-14)21-17-11-6-13(12-20-17)18(23)22-15-4-2-1-3-5-15/h6-12,15H,1-5H2,(H,20,21)(H,22,23)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at human mGluR5 assessed as inhibition of glutamate-induced elevation of intracellular calcium concentration


Bioorg Med Chem Lett 20: 184-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.001
BindingDB Entry DOI: 10.7270/Q2QN66VN
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50305026
PNG
((6-(phenylamino)pyridin-3-yl)(piperidin-1-yl)metha...)
Show SMILES O=C(N1CCCCC1)c1ccc(Nc2ccccc2)nc1
Show InChI InChI=1S/C17H19N3O/c21-17(20-11-5-2-6-12-20)14-9-10-16(18-13-14)19-15-7-3-1-4-8-15/h1,3-4,7-10,13H,2,5-6,11-12H2,(H,18,19)
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n/an/a 1.00E+4n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at human mGluR5 assessed as inhibition of glutamate-induced elevation of intracellular calcium concentration


Bioorg Med Chem Lett 20: 184-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.001
BindingDB Entry DOI: 10.7270/Q2QN66VN
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50305028
PNG
((6-(2-chlorophenylamino)pyridin-3-yl)(piperidin-1-...)
Show SMILES Clc1ccccc1Nc1ccc(cn1)C(=O)N1CCCCC1
Show InChI InChI=1S/C17H18ClN3O/c18-14-6-2-3-7-15(14)20-16-9-8-13(12-19-16)17(22)21-10-4-1-5-11-21/h2-3,6-9,12H,1,4-5,10-11H2,(H,19,20)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at human mGluR5 assessed as inhibition of glutamate-induced elevation of intracellular calcium concentration


Bioorg Med Chem Lett 20: 184-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.001
BindingDB Entry DOI: 10.7270/Q2QN66VN
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50305029
PNG
((6-(3-chlorophenylamino)pyridin-3-yl)(piperidin-1-...)
Show SMILES Clc1cccc(Nc2ccc(cn2)C(=O)N2CCCCC2)c1
Show InChI InChI=1S/C17H18ClN3O/c18-14-5-4-6-15(11-14)20-16-8-7-13(12-19-16)17(22)21-9-2-1-3-10-21/h4-8,11-12H,1-3,9-10H2,(H,19,20)
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Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at human mGluR5 assessed as inhibition of glutamate-induced elevation of intracellular calcium concentration


Bioorg Med Chem Lett 20: 184-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.001
BindingDB Entry DOI: 10.7270/Q2QN66VN
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50305031
PNG
(CHEMBL607841 | piperidin-1-yl(6-(p-tolylamino)pyri...)
Show SMILES Cc1ccc(Nc2ccc(cn2)C(=O)N2CCCCC2)cc1
Show InChI InChI=1S/C18H21N3O/c1-14-5-8-16(9-6-14)20-17-10-7-15(13-19-17)18(22)21-11-3-2-4-12-21/h5-10,13H,2-4,11-12H2,1H3,(H,19,20)
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n/an/a 2.30E+3n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at human mGluR5 assessed as inhibition of glutamate-induced elevation of intracellular calcium concentration


Bioorg Med Chem Lett 20: 184-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.001
BindingDB Entry DOI: 10.7270/Q2QN66VN
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50305033
PNG
((6-(3,4-dichlorophenylamino)pyridin-3-yl)(piperidi...)
Show SMILES Clc1ccc(Nc2ccc(cn2)C(=O)N2CCCCC2)cc1Cl
Show InChI InChI=1S/C17H17Cl2N3O/c18-14-6-5-13(10-15(14)19)21-16-7-4-12(11-20-16)17(23)22-8-2-1-3-9-22/h4-7,10-11H,1-3,8-9H2,(H,20,21)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at human mGluR5 assessed as inhibition of glutamate-induced elevation of intracellular calcium concentration


Bioorg Med Chem Lett 20: 184-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.001
BindingDB Entry DOI: 10.7270/Q2QN66VN
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50305057
PNG
((6-((4-chlorophenyl)(methyl)amino)pyridin-3-yl)(pi...)
Show SMILES CN(c1ccc(Cl)cc1)c1ccc(cn1)C(=O)N1CCCCC1
Show InChI InChI=1S/C18H20ClN3O/c1-21(16-8-6-15(19)7-9-16)17-10-5-14(13-20-17)18(23)22-11-3-2-4-12-22/h5-10,13H,2-4,11-12H2,1H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at human mGluR5 assessed as inhibition of glutamate-induced elevation of intracellular calcium concentration


Bioorg Med Chem Lett 20: 184-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.001
BindingDB Entry DOI: 10.7270/Q2QN66VN
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50305018
PNG
((6-(4-chlorophenylamino)pyridin-3-yl)(pyrrolidin-1...)
Show SMILES Clc1ccc(Nc2ccc(cn2)C(=O)N2CCCC2)cc1
Show InChI InChI=1S/C16H16ClN3O/c17-13-4-6-14(7-5-13)19-15-8-3-12(11-18-15)16(21)20-9-1-2-10-20/h3-8,11H,1-2,9-10H2,(H,18,19)
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n/an/a 5.40E+3n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at human mGluR5 assessed as inhibition of glutamate-induced elevation of intracellular calcium concentration


Bioorg Med Chem Lett 20: 184-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.001
BindingDB Entry DOI: 10.7270/Q2QN66VN
More data for this
Ligand-Target Pair