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Compile Data Set for Download or QSAR

Found 153 hits with Last Name = 'ahnaou' and Initial = 'a'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Metabotropic glutamate receptor 2 (mGluR2)


(Homo sapiens (Human))
BDBM50399088
PNG
(CHEMBL2179319)
Show SMILES FC(F)(F)c1c(ccn2c(CC3CC3)nnc12)N1CCC(CC1)c1ccccc1
Show InChI InChI=1S/C22H23F3N4/c23-22(24,25)20-18(10-13-29-19(14-15-6-7-15)26-27-21(20)29)28-11-8-17(9-12-28)16-4-2-1-3-5-16/h1-5,10,13,15,17H,6-9,11-12,14H2
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15n/an/an/an/an/an/an/an/a



Janssen Research& Development

Curated by ChEMBL


Assay Description
Displacement of [3H]8-Trifluoromethyl-3-cyclopropylmethyl-7-[(4-phenyl-1-piperidinyl)methyl]-1,2,4-triazolo[4,3-a]pyridine from mGlu2 receptor (unkno...


J Med Chem 59: 8495-507 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00913
BindingDB Entry DOI: 10.7270/Q27M09WC
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2 (mGluR2)


(Homo sapiens (Human))
BDBM50194617
PNG
(CHEMBL3926416)
Show SMILES Fc1ccc(N2CCN(Cc3ccn4c(CC5CC5)nnc4c3C(F)(F)F)CC2)c(F)c1
Show InChI InChI=1S/C22H22F5N5/c23-16-3-4-18(17(24)12-16)31-9-7-30(8-10-31)13-15-5-6-32-19(11-14-1-2-14)28-29-21(32)20(15)22(25,26)27/h3-6,12,14H,1-2,7-11,13H2
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150n/an/an/an/an/an/an/an/a



Janssen Research& Development

Curated by ChEMBL


Assay Description
Displacement of [3H]8-Trifluoromethyl-3-cyclopropylmethyl-7-[(4-phenyl-1-piperidinyl)methyl]-1,2,4-triazolo[4,3-a]pyridine from mGlu2 receptor (unkno...


J Med Chem 59: 8495-507 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00913
BindingDB Entry DOI: 10.7270/Q27M09WC
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2 (mGluR2)


(Homo sapiens (Human))
BDBM50051408
PNG
(CHEMBL3337527)
Show SMILES CCCCn1ccc(N2CCC(CC2)c2ccccc2)c(Cl)c1=O
Show InChI InChI=1S/C20H25ClN2O/c1-2-3-12-23-15-11-18(19(21)20(23)24)22-13-9-17(10-14-22)16-7-5-4-6-8-16/h4-8,11,15,17H,2-3,9-10,12-14H2,1H3
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180n/an/an/an/an/an/an/an/a



Janssen Research& Development

Curated by ChEMBL


Assay Description
Displacement of [3H]8-Trifluoromethyl-3-cyclopropylmethyl-7-[(4-phenyl-1-piperidinyl)methyl]-1,2,4-triazolo[4,3-a]pyridine from mGlu2 receptor (unkno...


J Med Chem 59: 8495-507 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00913
BindingDB Entry DOI: 10.7270/Q27M09WC
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2 (mGluR2)


(Homo sapiens (Human))
BDBM50399088
PNG
(CHEMBL2179319)
Show SMILES FC(F)(F)c1c(ccn2c(CC3CC3)nnc12)N1CCC(CC1)c1ccccc1
Show InChI InChI=1S/C22H23F3N4/c23-22(24,25)20-18(10-13-29-19(14-15-6-7-15)26-27-21(20)29)28-11-8-17(9-12-28)16-4-2-1-3-5-16/h1-5,10,13,15,17H,6-9,11-12,14H2
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n/an/a 15n/an/an/an/an/an/a



Janssen-Cilag S.A.

Curated by ChEMBL


Assay Description
Binding affinity to human mGlu2R expressed in CHO cells by radioligand binding assay


J Med Chem 55: 8770-89 (2012)


Article DOI: 10.1021/jm3010724
BindingDB Entry DOI: 10.7270/Q26111FF
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2 (mGluR2)


(Homo sapiens (Human))
BDBM50051408
PNG
(CHEMBL3337527)
Show SMILES CCCCn1ccc(N2CCC(CC2)c2ccccc2)c(Cl)c1=O
Show InChI InChI=1S/C20H25ClN2O/c1-2-3-12-23-15-11-18(19(21)20(23)24)22-13-9-17(10-14-22)16-7-5-4-6-8-16/h4-8,11,15,17H,2-3,9-10,12-14H2,1H3
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n/an/a 68n/an/an/an/an/an/a



Janssen-Cilag S.A.

Curated by ChEMBL


Assay Description
Displacement of [3H]19 from human mGlu2 receptor expressed in CHO cells


J Med Chem 57: 6495-512 (2014)


Article DOI: 10.1021/jm500496m
BindingDB Entry DOI: 10.7270/Q2DJ5H8J
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (human))
BDBM50399088
PNG
(CHEMBL2179319)
Show SMILES FC(F)(F)c1c(ccn2c(CC3CC3)nnc12)N1CCC(CC1)c1ccccc1
Show InChI InChI=1S/C22H23F3N4/c23-22(24,25)20-18(10-13-29-19(14-15-6-7-15)26-27-21(20)29)28-11-8-17(9-12-28)16-4-2-1-3-5-16/h1-5,10,13,15,17H,6-9,11-12,14H2
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n/an/a 1.10E+4n/an/an/an/an/an/a



Janssen-Cilag S.A.

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9


J Med Chem 55: 8770-89 (2012)


Article DOI: 10.1021/jm3010724
BindingDB Entry DOI: 10.7270/Q26111FF
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (human))
BDBM50399088
PNG
(CHEMBL2179319)
Show SMILES FC(F)(F)c1c(ccn2c(CC3CC3)nnc12)N1CCC(CC1)c1ccccc1
Show InChI InChI=1S/C22H23F3N4/c23-22(24,25)20-18(10-13-29-19(14-15-6-7-15)26-27-21(20)29)28-11-8-17(9-12-28)16-4-2-1-3-5-16/h1-5,10,13,15,17H,6-9,11-12,14H2
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n/an/a 2.00E+4n/an/an/an/an/an/a



Janssen-Cilag S.A.

Curated by ChEMBL


Assay Description
Inhibition of CYP2C19


J Med Chem 55: 8770-89 (2012)


Article DOI: 10.1021/jm3010724
BindingDB Entry DOI: 10.7270/Q26111FF
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (Human))
BDBM50194617
PNG
(CHEMBL3926416)
Show SMILES Fc1ccc(N2CCN(Cc3ccn4c(CC5CC5)nnc4c3C(F)(F)F)CC2)c(F)c1
Show InChI InChI=1S/C22H22F5N5/c23-16-3-4-18(17(24)12-16)31-9-7-30(8-10-31)13-15-5-6-32-19(11-14-1-2-14)28-29-21(32)20(15)22(25,26)27/h3-6,12,14H,1-2,7-11,13H2
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n/an/a>2.00E+4n/an/an/an/an/an/a



Janssen Research& Development

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 (unknown origin)


J Med Chem 59: 8495-507 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00913
BindingDB Entry DOI: 10.7270/Q27M09WC
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50194617
PNG
(CHEMBL3926416)
Show SMILES Fc1ccc(N2CCN(Cc3ccn4c(CC5CC5)nnc4c3C(F)(F)F)CC2)c(F)c1
Show InChI InChI=1S/C22H22F5N5/c23-16-3-4-18(17(24)12-16)31-9-7-30(8-10-31)13-15-5-6-32-19(11-14-1-2-14)28-29-21(32)20(15)22(25,26)27/h3-6,12,14H,1-2,7-11,13H2
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n/an/a>2.00E+4n/an/an/an/an/an/a



Janssen Research& Development

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 (unknown origin)


J Med Chem 59: 8495-507 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00913
BindingDB Entry DOI: 10.7270/Q27M09WC
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (human))
BDBM50194617
PNG
(CHEMBL3926416)
Show SMILES Fc1ccc(N2CCN(Cc3ccn4c(CC5CC5)nnc4c3C(F)(F)F)CC2)c(F)c1
Show InChI InChI=1S/C22H22F5N5/c23-16-3-4-18(17(24)12-16)31-9-7-30(8-10-31)13-15-5-6-32-19(11-14-1-2-14)28-29-21(32)20(15)22(25,26)27/h3-6,12,14H,1-2,7-11,13H2
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n/an/a>2.00E+4n/an/an/an/an/an/a



Janssen Research& Development

Curated by ChEMBL


Assay Description
Inhibition of CYP2C19 (unknown origin)


J Med Chem 59: 8495-507 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00913
BindingDB Entry DOI: 10.7270/Q27M09WC
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (human))
BDBM50194617
PNG
(CHEMBL3926416)
Show SMILES Fc1ccc(N2CCN(Cc3ccn4c(CC5CC5)nnc4c3C(F)(F)F)CC2)c(F)c1
Show InChI InChI=1S/C22H22F5N5/c23-16-3-4-18(17(24)12-16)31-9-7-30(8-10-31)13-15-5-6-32-19(11-14-1-2-14)28-29-21(32)20(15)22(25,26)27/h3-6,12,14H,1-2,7-11,13H2
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n/an/a>2.00E+4n/an/an/an/an/an/a



Janssen Research& Development

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 (unknown origin)


J Med Chem 59: 8495-507 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00913
BindingDB Entry DOI: 10.7270/Q27M09WC
More data for this
Ligand-Target Pair
Cytochrome P450 2C8


(Homo sapiens (Human))
BDBM50194617
PNG
(CHEMBL3926416)
Show SMILES Fc1ccc(N2CCN(Cc3ccn4c(CC5CC5)nnc4c3C(F)(F)F)CC2)c(F)c1
Show InChI InChI=1S/C22H22F5N5/c23-16-3-4-18(17(24)12-16)31-9-7-30(8-10-31)13-15-5-6-32-19(11-14-1-2-14)28-29-21(32)20(15)22(25,26)27/h3-6,12,14H,1-2,7-11,13H2
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n/an/a>2.00E+4n/an/an/an/an/an/a



Janssen Research& Development

Curated by ChEMBL


Assay Description
Inhibition of CYP2C8 (unknown origin)


J Med Chem 59: 8495-507 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00913
BindingDB Entry DOI: 10.7270/Q27M09WC
More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (human))
BDBM50194617
PNG
(CHEMBL3926416)
Show SMILES Fc1ccc(N2CCN(Cc3ccn4c(CC5CC5)nnc4c3C(F)(F)F)CC2)c(F)c1
Show InChI InChI=1S/C22H22F5N5/c23-16-3-4-18(17(24)12-16)31-9-7-30(8-10-31)13-15-5-6-32-19(11-14-1-2-14)28-29-21(32)20(15)22(25,26)27/h3-6,12,14H,1-2,7-11,13H2
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n/an/a>2.00E+4n/an/an/an/an/an/a



Janssen Research& Development

Curated by ChEMBL


Assay Description
Inhibition of CYP1A2 (unknown origin)


J Med Chem 59: 8495-507 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00913
BindingDB Entry DOI: 10.7270/Q27M09WC
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50399088
PNG
(CHEMBL2179319)
Show SMILES FC(F)(F)c1c(ccn2c(CC3CC3)nnc12)N1CCC(CC1)c1ccccc1
Show InChI InChI=1S/C22H23F3N4/c23-22(24,25)20-18(10-13-29-19(14-15-6-7-15)26-27-21(20)29)28-11-8-17(9-12-28)16-4-2-1-3-5-16/h1-5,10,13,15,17H,6-9,11-12,14H2
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n/an/a>3.00E+4n/an/an/an/an/an/a



Janssen-Cilag S.A.

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4


J Med Chem 55: 8770-89 (2012)


Article DOI: 10.1021/jm3010724
BindingDB Entry DOI: 10.7270/Q26111FF
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50399088
PNG
(CHEMBL2179319)
Show SMILES FC(F)(F)c1c(ccn2c(CC3CC3)nnc12)N1CCC(CC1)c1ccccc1
Show InChI InChI=1S/C22H23F3N4/c23-22(24,25)20-18(10-13-29-19(14-15-6-7-15)26-27-21(20)29)28-11-8-17(9-12-28)16-4-2-1-3-5-16/h1-5,10,13,15,17H,6-9,11-12,14H2
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n/an/a>3.00E+4n/an/an/an/an/an/a



Janssen-Cilag S.A.

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6


J Med Chem 55: 8770-89 (2012)


Article DOI: 10.1021/jm3010724
BindingDB Entry DOI: 10.7270/Q26111FF
More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (human))
BDBM50399088
PNG
(CHEMBL2179319)
Show SMILES FC(F)(F)c1c(ccn2c(CC3CC3)nnc12)N1CCC(CC1)c1ccccc1
Show InChI InChI=1S/C22H23F3N4/c23-22(24,25)20-18(10-13-29-19(14-15-6-7-15)26-27-21(20)29)28-11-8-17(9-12-28)16-4-2-1-3-5-16/h1-5,10,13,15,17H,6-9,11-12,14H2
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n/an/a>3.00E+4n/an/an/an/an/an/a



Janssen-Cilag S.A.

Curated by ChEMBL


Assay Description
Inhibition of CYP1A2


J Med Chem 55: 8770-89 (2012)


Article DOI: 10.1021/jm3010724
BindingDB Entry DOI: 10.7270/Q26111FF
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2 (mGluR2)


(Homo sapiens (Human))
BDBM50383332
PNG
(CHEMBL2029786)
Show SMILES CC(C)CCn1ccc(-c2ccccc2)c(C#N)c1=O
Show InChI InChI=1S/C17H18N2O/c1-13(2)8-10-19-11-9-15(16(12-18)17(19)20)14-6-4-3-5-7-14/h3-7,9,11,13H,8,10H2,1-2H3
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n/an/an/an/a 8.51E+3n/an/an/an/a



Janssen-Cilag S.A.

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGlu2 receptor expressed in CHO cells assessed as potentiation of glutamate-induced effect incubated for 30 m...


J Med Chem 57: 6495-512 (2014)


Article DOI: 10.1021/jm500496m
BindingDB Entry DOI: 10.7270/Q2DJ5H8J
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2 (mGluR2)


(Homo sapiens (Human))
BDBM50051414
PNG
(CHEMBL3337498)
Show SMILES CC(C)CCn1ccc(CCc2ccccc2)c(C#N)c1=O
Show InChI InChI=1S/C19H22N2O/c1-15(2)10-12-21-13-11-17(18(14-20)19(21)22)9-8-16-6-4-3-5-7-16/h3-7,11,13,15H,8-10,12H2,1-2H3
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n/an/an/an/a 361n/an/an/an/a



Janssen-Cilag S.A.

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGlu2 receptor expressed in CHO cells assessed as potentiation of glutamate-induced effect incubated for 30 m...


J Med Chem 57: 6495-512 (2014)


Article DOI: 10.1021/jm500496m
BindingDB Entry DOI: 10.7270/Q2DJ5H8J
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2 (mGluR2)


(Homo sapiens (Human))
BDBM50051418
PNG
(CHEMBL3337499)
Show SMILES CC(C)CCn1ccc(OCc2ccccc2)c(C#N)c1=O
Show InChI InChI=1S/C18H20N2O2/c1-14(2)8-10-20-11-9-17(16(12-19)18(20)21)22-13-15-6-4-3-5-7-15/h3-7,9,11,14H,8,10,13H2,1-2H3
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n/an/an/an/a 2.95E+3n/an/an/an/a



Janssen-Cilag S.A.

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGlu2 receptor expressed in CHO cells assessed as potentiation of glutamate-induced effect incubated for 30 m...


J Med Chem 57: 6495-512 (2014)


Article DOI: 10.1021/jm500496m
BindingDB Entry DOI: 10.7270/Q2DJ5H8J
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2 (mGluR2)


(Homo sapiens (Human))
BDBM50051420
PNG
(CHEMBL3337500)
Show SMILES CC(C)CCn1ccc(N(C)Cc2ccccc2)c(C#N)c1=O
Show InChI InChI=1S/C19H23N3O/c1-15(2)9-11-22-12-10-18(17(13-20)19(22)23)21(3)14-16-7-5-4-6-8-16/h4-8,10,12,15H,9,11,14H2,1-3H3
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n/an/an/an/a 1.07E+4n/an/an/an/a



Janssen-Cilag S.A.

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGlu2 receptor expressed in CHO cells assessed as potentiation of glutamate-induced effect incubated for 30 m...


J Med Chem 57: 6495-512 (2014)


Article DOI: 10.1021/jm500496m
BindingDB Entry DOI: 10.7270/Q2DJ5H8J
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2 (mGluR2)


(Homo sapiens (Human))
BDBM50051421
PNG
(CHEMBL3337501)
Show SMILES CC(C)CCn1ccc(N2CCc3ccccc3C2)c(C#N)c1=O
Show InChI InChI=1S/C20H23N3O/c1-15(2)7-10-22-12-9-19(18(13-21)20(22)24)23-11-8-16-5-3-4-6-17(16)14-23/h3-6,9,12,15H,7-8,10-11,14H2,1-2H3
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n/an/an/an/a 871n/an/an/an/a



Janssen-Cilag S.A.

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGlu2 receptor expressed in CHO cells assessed as potentiation of glutamate-induced effect incubated for 30 m...


J Med Chem 57: 6495-512 (2014)


Article DOI: 10.1021/jm500496m
BindingDB Entry DOI: 10.7270/Q2DJ5H8J
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2 (mGluR2)


(Homo sapiens (Human))
BDBM50051428
PNG
(CHEMBL3337502)
Show SMILES CC(C)CCn1ccc(N2CCC(CC2)c2ccccc2)c(C#N)c1=O
Show InChI InChI=1S/C22H27N3O/c1-17(2)8-12-25-15-11-21(20(16-23)22(25)26)24-13-9-19(10-14-24)18-6-4-3-5-7-18/h3-7,11,15,17,19H,8-10,12-14H2,1-2H3
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n/an/an/an/a 102n/an/an/an/a



Janssen-Cilag S.A.

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGlu2 receptor expressed in CHO cells assessed as potentiation of glutamate-induced effect incubated for 30 m...


J Med Chem 57: 6495-512 (2014)


Article DOI: 10.1021/jm500496m
BindingDB Entry DOI: 10.7270/Q2DJ5H8J
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2 (mGluR2)


(Homo sapiens (Human))
BDBM50051490
PNG
(CHEMBL3337503)
Show SMILES CC(C)CCn1ccc(N2CCCC(C2)c2ccccc2)c(C#N)c1=O
Show InChI InChI=1S/C22H27N3O/c1-17(2)10-13-24-14-11-21(20(15-23)22(24)26)25-12-6-9-19(16-25)18-7-4-3-5-8-18/h3-5,7-8,11,14,17,19H,6,9-10,12-13,16H2,1-2H3
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n/an/an/an/a 3.31E+3n/an/an/an/a



Janssen-Cilag S.A.

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGlu2 receptor expressed in CHO cells assessed as potentiation of glutamate-induced effect incubated for 30 m...


J Med Chem 57: 6495-512 (2014)


Article DOI: 10.1021/jm500496m
BindingDB Entry DOI: 10.7270/Q2DJ5H8J
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2 (mGluR2)


(Homo sapiens (Human))
BDBM50051519
PNG
(CHEMBL3337504)
Show SMILES CC(C)CCn1ccc(N2CCCCC2)c(C#N)c1=O
Show InChI InChI=1S/C16H23N3O/c1-13(2)6-10-19-11-7-15(14(12-17)16(19)20)18-8-4-3-5-9-18/h7,11,13H,3-6,8-10H2,1-2H3
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n/an/an/an/a 3.16E+4n/an/an/an/a



Janssen-Cilag S.A.

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGlu2 receptor expressed in CHO cells assessed as potentiation of glutamate-induced effect incubated for 30 m...


J Med Chem 57: 6495-512 (2014)


Article DOI: 10.1021/jm500496m
BindingDB Entry DOI: 10.7270/Q2DJ5H8J
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2 (mGluR2)


(Homo sapiens (Human))
BDBM50051557
PNG
(CHEMBL3337505)
Show SMILES CC(C)CCn1ccc(N2CCN(CC2)c2ccccc2)c(C#N)c1=O
Show InChI InChI=1S/C21H26N4O/c1-17(2)8-10-25-11-9-20(19(16-22)21(25)26)24-14-12-23(13-15-24)18-6-4-3-5-7-18/h3-7,9,11,17H,8,10,12-15H2,1-2H3
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n/an/an/an/a 661n/an/an/an/a



Janssen-Cilag S.A.

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGlu2 receptor expressed in CHO cells assessed as potentiation of glutamate-induced effect incubated for 30 m...


J Med Chem 57: 6495-512 (2014)


Article DOI: 10.1021/jm500496m
BindingDB Entry DOI: 10.7270/Q2DJ5H8J
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2 (mGluR2)


(Homo sapiens (Human))
BDBM50051558
PNG
(CHEMBL3337506)
Show SMILES CC(C)CCn1ccc(N2CCN(CC2)c2ccccn2)c(C#N)c1=O
Show InChI InChI=1S/C20H25N5O/c1-16(2)6-9-25-10-7-18(17(15-21)20(25)26)23-11-13-24(14-12-23)19-5-3-4-8-22-19/h3-5,7-8,10,16H,6,9,11-14H2,1-2H3
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n/an/an/an/a 3.09E+3n/an/an/an/a



Janssen-Cilag S.A.

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGlu2 receptor expressed in CHO cells assessed as potentiation of glutamate-induced effect incubated for 30 m...


J Med Chem 57: 6495-512 (2014)


Article DOI: 10.1021/jm500496m
BindingDB Entry DOI: 10.7270/Q2DJ5H8J
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2 (mGluR2)


(Homo sapiens (Human))
BDBM50051559
PNG
(CHEMBL3337507)
Show SMILES CC(C)CCn1ccc(N2CCN(Cc3ccccc3)CC2)c(C#N)c1=O
Show InChI InChI=1S/C22H28N4O/c1-18(2)8-10-26-11-9-21(20(16-23)22(26)27)25-14-12-24(13-15-25)17-19-6-4-3-5-7-19/h3-7,9,11,18H,8,10,12-15,17H2,1-2H3
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n/an/an/an/a 4.68E+3n/an/an/an/a



Janssen-Cilag S.A.

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGlu2 receptor expressed in CHO cells assessed as potentiation of glutamate-induced effect incubated for 30 m...


J Med Chem 57: 6495-512 (2014)


Article DOI: 10.1021/jm500496m
BindingDB Entry DOI: 10.7270/Q2DJ5H8J
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2 (mGluR2)


(Homo sapiens (Human))
BDBM50051566
PNG
(CHEMBL3337508)
Show SMILES CCCCn1ccc(N2CCC(CC2)c2ccccc2)c(C#N)c1=O
Show InChI InChI=1S/C21H25N3O/c1-2-3-12-24-15-11-20(19(16-22)21(24)25)23-13-9-18(10-14-23)17-7-5-4-6-8-17/h4-8,11,15,18H,2-3,9-10,12-14H2,1H3
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n/an/an/an/a 95n/an/an/an/a



Janssen-Cilag S.A.

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGlu2 receptor expressed in CHO cells assessed as potentiation of glutamate-induced effect incubated for 30 m...


J Med Chem 57: 6495-512 (2014)


Article DOI: 10.1021/jm500496m
BindingDB Entry DOI: 10.7270/Q2DJ5H8J
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2 (mGluR2)


(Homo sapiens (Human))
BDBM50051569
PNG
(CHEMBL3337509)
Show SMILES CC(C)Cn1ccc(N2CCC(CC2)c2ccccc2)c(C#N)c1=O
Show InChI InChI=1S/C21H25N3O/c1-16(2)15-24-13-10-20(19(14-22)21(24)25)23-11-8-18(9-12-23)17-6-4-3-5-7-17/h3-7,10,13,16,18H,8-9,11-12,15H2,1-2H3
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n/an/an/an/a 282n/an/an/an/a



Janssen-Cilag S.A.

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGlu2 receptor expressed in CHO cells assessed as potentiation of glutamate-induced effect incubated for 30 m...


J Med Chem 57: 6495-512 (2014)


Article DOI: 10.1021/jm500496m
BindingDB Entry DOI: 10.7270/Q2DJ5H8J
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2 (mGluR2)


(Homo sapiens (Human))
BDBM50051570
PNG
(CHEMBL3337456)
Show SMILES O=c1c(C#N)c(ccn1CC1CCC1)N1CCC(CC1)c1ccccc1
Show InChI InChI=1S/C22H25N3O/c23-15-20-21(11-14-25(22(20)26)16-17-5-4-6-17)24-12-9-19(10-13-24)18-7-2-1-3-8-18/h1-3,7-8,11,14,17,19H,4-6,9-10,12-13,16H2
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n/an/an/an/a 55n/an/an/an/a



Janssen-Cilag S.A.

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGlu2 receptor expressed in CHO cells assessed as potentiation of glutamate-induced effect incubated for 30 m...


J Med Chem 57: 6495-512 (2014)


Article DOI: 10.1021/jm500496m
BindingDB Entry DOI: 10.7270/Q2DJ5H8J
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2 (mGluR2)


(Homo sapiens (Human))
BDBM50051571
PNG
(CHEMBL3337510)
Show SMILES O=c1c(C#N)c(ccn1CC1CC1)N1CCC(CC1)c1ccccc1
Show InChI InChI=1S/C21H23N3O/c22-14-19-20(10-13-24(21(19)25)15-16-6-7-16)23-11-8-18(9-12-23)17-4-2-1-3-5-17/h1-5,10,13,16,18H,6-9,11-12,15H2
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n/an/an/an/a 151n/an/an/an/a



Janssen-Cilag S.A.

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGlu2 receptor expressed in CHO cells assessed as potentiation of glutamate-induced effect incubated for 30 m...


J Med Chem 57: 6495-512 (2014)


Article DOI: 10.1021/jm500496m
BindingDB Entry DOI: 10.7270/Q2DJ5H8J
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2 (mGluR2)


(Homo sapiens (Human))
BDBM50051572
PNG
(CHEMBL3337511)
Show SMILES O=c1c(C#N)c(ccn1CCC1CC1)N1CCC(CC1)c1ccccc1
Show InChI InChI=1S/C22H25N3O/c23-16-20-21(11-15-25(22(20)26)12-8-17-6-7-17)24-13-9-19(10-14-24)18-4-2-1-3-5-18/h1-5,11,15,17,19H,6-10,12-14H2
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n/an/an/an/a 178n/an/an/an/a



Janssen-Cilag S.A.

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGlu2 receptor expressed in CHO cells assessed as potentiation of glutamate-induced effect incubated for 30 m...


J Med Chem 57: 6495-512 (2014)


Article DOI: 10.1021/jm500496m
BindingDB Entry DOI: 10.7270/Q2DJ5H8J
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2 (mGluR2)


(Homo sapiens (Human))
BDBM50051574
PNG
(CHEMBL3337512)
Show SMILES FC(F)(F)CCCn1ccc(N2CCC(CC2)c2ccccc2)c(C#N)c1=O
Show InChI InChI=1S/C21H22F3N3O/c22-21(23,24)10-4-11-27-14-9-19(18(15-25)20(27)28)26-12-7-17(8-13-26)16-5-2-1-3-6-16/h1-3,5-6,9,14,17H,4,7-8,10-13H2
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n/an/an/an/a 355n/an/an/an/a



Janssen-Cilag S.A.

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGlu2 receptor expressed in CHO cells assessed as potentiation of glutamate-induced effect incubated for 30 m...


J Med Chem 57: 6495-512 (2014)


Article DOI: 10.1021/jm500496m
BindingDB Entry DOI: 10.7270/Q2DJ5H8J
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2 (mGluR2)


(Homo sapiens (Human))
BDBM50051575
PNG
(CHEMBL3337513)
Show SMILES Fc1ccccc1C1CCN(CC1)c1ccn(CC2CC2)c(=O)c1C#N
Show InChI InChI=1S/C21H22FN3O/c22-19-4-2-1-3-17(19)16-7-10-24(11-8-16)20-9-12-25(14-15-5-6-15)21(26)18(20)13-23/h1-4,9,12,15-16H,5-8,10-11,14H2
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n/an/an/an/a 81n/an/an/an/a



Janssen-Cilag S.A.

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGlu2 receptor expressed in CHO cells assessed as potentiation of glutamate-induced effect incubated for 30 m...


J Med Chem 57: 6495-512 (2014)


Article DOI: 10.1021/jm500496m
BindingDB Entry DOI: 10.7270/Q2DJ5H8J
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2 (mGluR2)


(Homo sapiens (Human))
BDBM50051576
PNG
(CHEMBL3337514)
Show SMILES Fc1cccc(c1)C1CCN(CC1)c1ccn(CC2CC2)c(=O)c1C#N
Show InChI InChI=1S/C21H22FN3O/c22-18-3-1-2-17(12-18)16-6-9-24(10-7-16)20-8-11-25(14-15-4-5-15)21(26)19(20)13-23/h1-3,8,11-12,15-16H,4-7,9-10,14H2
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n/an/an/an/a 141n/an/an/an/a



Janssen-Cilag S.A.

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGlu2 receptor expressed in CHO cells assessed as potentiation of glutamate-induced effect incubated for 30 m...


J Med Chem 57: 6495-512 (2014)


Article DOI: 10.1021/jm500496m
BindingDB Entry DOI: 10.7270/Q2DJ5H8J
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2 (mGluR2)


(Homo sapiens (Human))
BDBM50051577
PNG
(CHEMBL3337515)
Show SMILES Fc1ccc(cc1)C1CCN(CC1)c1ccn(CC2CC2)c(=O)c1C#N
Show InChI InChI=1S/C21H22FN3O/c22-18-5-3-16(4-6-18)17-7-10-24(11-8-17)20-9-12-25(14-15-1-2-15)21(26)19(20)13-23/h3-6,9,12,15,17H,1-2,7-8,10-11,14H2
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n/an/an/an/a 89n/an/an/an/a



Janssen-Cilag S.A.

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGlu2 receptor expressed in CHO cells assessed as potentiation of glutamate-induced effect incubated for 30 m...


J Med Chem 57: 6495-512 (2014)


Article DOI: 10.1021/jm500496m
BindingDB Entry DOI: 10.7270/Q2DJ5H8J
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2 (mGluR2)


(Homo sapiens (Human))
BDBM50051579
PNG
(CHEMBL3337516)
Show SMILES Clc1ccccc1C1CCN(CC1)c1ccn(CC2CC2)c(=O)c1C#N
Show InChI InChI=1S/C21H22ClN3O/c22-19-4-2-1-3-17(19)16-7-10-24(11-8-16)20-9-12-25(14-15-5-6-15)21(26)18(20)13-23/h1-4,9,12,15-16H,5-8,10-11,14H2
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n/an/an/an/a 49n/an/an/an/a



Janssen-Cilag S.A.

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGlu2 receptor expressed in CHO cells assessed as potentiation of glutamate-induced effect incubated for 30 m...


J Med Chem 57: 6495-512 (2014)


Article DOI: 10.1021/jm500496m
BindingDB Entry DOI: 10.7270/Q2DJ5H8J
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2 (mGluR2)


(Homo sapiens (Human))
BDBM50051580
PNG
(CHEMBL3337517)
Show SMILES Clc1ccc(cc1)C1CCN(CC1)c1ccn(CC2CC2)c(=O)c1C#N
Show InChI InChI=1S/C21H22ClN3O/c22-18-5-3-16(4-6-18)17-7-10-24(11-8-17)20-9-12-25(14-15-1-2-15)21(26)19(20)13-23/h3-6,9,12,15,17H,1-2,7-8,10-11,14H2
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n/an/an/an/a 48n/an/an/an/a



Janssen-Cilag S.A.

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGlu2 receptor expressed in CHO cells assessed as potentiation of glutamate-induced effect incubated for 30 m...


J Med Chem 57: 6495-512 (2014)


Article DOI: 10.1021/jm500496m
BindingDB Entry DOI: 10.7270/Q2DJ5H8J
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2 (mGluR2)


(Homo sapiens (Human))
BDBM50051581
PNG
(CHEMBL3337518)
Show SMILES FC(F)(F)c1cccc(c1)C1CCN(CC1)c1ccn(CC2CC2)c(=O)c1C#N
Show InChI InChI=1S/C22H22F3N3O/c23-22(24,25)18-3-1-2-17(12-18)16-6-9-27(10-7-16)20-8-11-28(14-15-4-5-15)21(29)19(20)13-26/h1-3,8,11-12,15-16H,4-7,9-10,14H2
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n/an/an/an/a 46n/an/an/an/a



Janssen-Cilag S.A.

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGlu2 receptor expressed in CHO cells assessed as potentiation of glutamate-induced effect incubated for 30 m...


J Med Chem 57: 6495-512 (2014)


Article DOI: 10.1021/jm500496m
BindingDB Entry DOI: 10.7270/Q2DJ5H8J
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2 (mGluR2)


(Homo sapiens (Human))
BDBM50051582
PNG
(CHEMBL3337519)
Show SMILES COc1ccccc1C1CCN(CC1)c1ccn(CC2CC2)c(=O)c1C#N
Show InChI InChI=1S/C22H25N3O2/c1-27-21-5-3-2-4-18(21)17-8-11-24(12-9-17)20-10-13-25(15-16-6-7-16)22(26)19(20)14-23/h2-5,10,13,16-17H,6-9,11-12,15H2,1H3
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n/an/an/an/a 35n/an/an/an/a



Janssen-Cilag S.A.

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGlu2 receptor expressed in CHO cells assessed as potentiation of glutamate-induced effect incubated for 30 m...


J Med Chem 57: 6495-512 (2014)


Article DOI: 10.1021/jm500496m
BindingDB Entry DOI: 10.7270/Q2DJ5H8J
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2 (mGluR2)


(Homo sapiens (Human))
BDBM50051583
PNG
(CHEMBL3337520)
Show SMILES COc1ccc(cc1)C1CCN(CC1)c1ccn(CC2CC2)c(=O)c1C#N
Show InChI InChI=1S/C22H25N3O2/c1-27-19-6-4-17(5-7-19)18-8-11-24(12-9-18)21-10-13-25(15-16-2-3-16)22(26)20(21)14-23/h4-7,10,13,16,18H,2-3,8-9,11-12,15H2,1H3
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n/an/an/an/a 98n/an/an/an/a



Janssen-Cilag S.A.

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGlu2 receptor expressed in CHO cells assessed as potentiation of glutamate-induced effect incubated for 30 m...


J Med Chem 57: 6495-512 (2014)


Article DOI: 10.1021/jm500496m
BindingDB Entry DOI: 10.7270/Q2DJ5H8J
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2 (mGluR2)


(Homo sapiens (Human))
BDBM50051584
PNG
(CHEMBL3337521)
Show SMILES Fc1ccc(C2CCN(CC2)c2ccn(CC3CC3)c(=O)c2C#N)c(F)c1
Show InChI InChI=1S/C21H21F2N3O/c22-16-3-4-17(19(23)11-16)15-5-8-25(9-6-15)20-7-10-26(13-14-1-2-14)21(27)18(20)12-24/h3-4,7,10-11,14-15H,1-2,5-6,8-9,13H2
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n/an/an/an/a 68n/an/an/an/a



Janssen-Cilag S.A.

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGlu2 receptor expressed in CHO cells assessed as potentiation of glutamate-induced effect incubated for 30 m...


J Med Chem 57: 6495-512 (2014)


Article DOI: 10.1021/jm500496m
BindingDB Entry DOI: 10.7270/Q2DJ5H8J
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2 (mGluR2)


(Homo sapiens (Human))
BDBM50051587
PNG
(CHEMBL3337522)
Show SMILES Fc1cccc(F)c1C1CCN(CC1)c1ccn(CC2CC2)c(=O)c1C#N
Show InChI InChI=1S/C21H21F2N3O/c22-17-2-1-3-18(23)20(17)15-6-9-25(10-7-15)19-8-11-26(13-14-4-5-14)21(27)16(19)12-24/h1-3,8,11,14-15H,4-7,9-10,13H2
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n/an/an/an/a 31n/an/an/an/a



Janssen-Cilag S.A.

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGlu2 receptor expressed in CHO cells assessed as potentiation of glutamate-induced effect incubated for 30 m...


J Med Chem 57: 6495-512 (2014)


Article DOI: 10.1021/jm500496m
BindingDB Entry DOI: 10.7270/Q2DJ5H8J
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2 (mGluR2)


(Homo sapiens (Human))
BDBM50051589
PNG
(CHEMBL3337523)
Show SMILES Fc1cc(F)cc(c1)C1CCN(CC1)c1ccn(CC2CC2)c(=O)c1C#N
Show InChI InChI=1S/C21H21F2N3O/c22-17-9-16(10-18(23)11-17)15-3-6-25(7-4-15)20-5-8-26(13-14-1-2-14)21(27)19(20)12-24/h5,8-11,14-15H,1-4,6-7,13H2
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n/an/an/an/a 151n/an/an/an/a



Janssen-Cilag S.A.

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGlu2 receptor expressed in CHO cells assessed as potentiation of glutamate-induced effect incubated for 30 m...


J Med Chem 57: 6495-512 (2014)


Article DOI: 10.1021/jm500496m
BindingDB Entry DOI: 10.7270/Q2DJ5H8J
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2 (mGluR2)


(Homo sapiens (Human))
BDBM50051590
PNG
(CHEMBL3337524)
Show SMILES Clc1c(ccn(CC2CC2)c1=O)N1CCC(CC1)c1ccccc1
Show InChI InChI=1S/C20H23ClN2O/c21-19-18(10-13-23(20(19)24)14-15-6-7-15)22-11-8-17(9-12-22)16-4-2-1-3-5-16/h1-5,10,13,15,17H,6-9,11-12,14H2
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n/an/an/an/a 170n/an/an/an/a



Janssen-Cilag S.A.

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGlu2 receptor expressed in CHO cells assessed as potentiation of glutamate-induced effect incubated for 30 m...


J Med Chem 57: 6495-512 (2014)


Article DOI: 10.1021/jm500496m
BindingDB Entry DOI: 10.7270/Q2DJ5H8J
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2 (mGluR2)


(Homo sapiens (Human))
BDBM50051591
PNG
(CHEMBL3337525)
Show SMILES FC(F)(F)c1c(ccn(CC2CC2)c1=O)N1CCC(CC1)c1ccccc1
Show InChI InChI=1S/C21H23F3N2O/c22-21(23,24)19-18(10-13-26(20(19)27)14-15-6-7-15)25-11-8-17(9-12-25)16-4-2-1-3-5-16/h1-5,10,13,15,17H,6-9,11-12,14H2
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n/an/an/an/a 251n/an/an/an/a



Janssen-Cilag S.A.

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGlu2 receptor expressed in CHO cells assessed as potentiation of glutamate-induced effect incubated for 30 m...


J Med Chem 57: 6495-512 (2014)


Article DOI: 10.1021/jm500496m
BindingDB Entry DOI: 10.7270/Q2DJ5H8J
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2 (mGluR2)


(Homo sapiens (Human))
BDBM50051607
PNG
(CHEMBL3337526)
Show SMILES CC(C)Cn1ccc(N2CCC(CC2)c2ccccc2)c(Cl)c1=O
Show InChI InChI=1S/C20H25ClN2O/c1-15(2)14-23-13-10-18(19(21)20(23)24)22-11-8-17(9-12-22)16-6-4-3-5-7-16/h3-7,10,13,15,17H,8-9,11-12,14H2,1-2H3
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n/an/an/an/a 195n/an/an/an/a



Janssen-Cilag S.A.

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGlu2 receptor expressed in CHO cells assessed as potentiation of glutamate-induced effect incubated for 30 m...


J Med Chem 57: 6495-512 (2014)


Article DOI: 10.1021/jm500496m
BindingDB Entry DOI: 10.7270/Q2DJ5H8J
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2 (mGluR2)


(Homo sapiens (Human))
BDBM50051408
PNG
(CHEMBL3337527)
Show SMILES CCCCn1ccc(N2CCC(CC2)c2ccccc2)c(Cl)c1=O
Show InChI InChI=1S/C20H25ClN2O/c1-2-3-12-23-15-11-18(19(21)20(23)24)22-13-9-17(10-14-22)16-7-5-4-6-8-16/h4-8,11,15,17H,2-3,9-10,12-14H2,1H3
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n/an/an/an/a 147n/an/an/an/a



Janssen-Cilag S.A.

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGlu2 receptor expressed in CHO cells assessed as potentiation of glutamate-induced effect incubated for 30 m...


J Med Chem 57: 6495-512 (2014)


Article DOI: 10.1021/jm500496m
BindingDB Entry DOI: 10.7270/Q2DJ5H8J
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2 (mGluR2)


(Homo sapiens (Human))
BDBM50383332
PNG
(CHEMBL2029786)
Show SMILES CC(C)CCn1ccc(-c2ccccc2)c(C#N)c1=O
Show InChI InChI=1S/C17H18N2O/c1-13(2)8-10-19-11-9-15(16(12-18)17(19)20)14-6-4-3-5-7-14/h3-7,9,11,13H,8,10H2,1-2H3
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n/an/an/an/a 8.51E+3n/an/an/an/a



Janssen-Cilag S.A.

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGlu2 receptor expressed in CHO cells assessed as glutamate-induced [35S]GTPgammaS binding after 30 mins by l...


J Med Chem 55: 2388-405 (2012)


Article DOI: 10.1021/jm2016864
BindingDB Entry DOI: 10.7270/Q22B9020
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2 (mGluR2)


(Homo sapiens (Human))
BDBM50383333
PNG
(CHEMBL2029787)
Show SMILES COc1ccc(cc1)-c1ccn(CCC(C)C)c(=O)c1C#N
Show InChI InChI=1S/C18H20N2O2/c1-13(2)8-10-20-11-9-16(17(12-19)18(20)21)14-4-6-15(22-3)7-5-14/h4-7,9,11,13H,8,10H2,1-3H3
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n/an/an/an/a 1.15E+3n/an/an/an/a



Janssen-Cilag S.A.

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGlu2 receptor expressed in CHO cells assessed as glutamate-induced [35S]GTPgammaS binding after 30 mins by l...


J Med Chem 55: 2388-405 (2012)


Article DOI: 10.1021/jm2016864
BindingDB Entry DOI: 10.7270/Q22B9020
More data for this
Ligand-Target Pair
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