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PubMed code 23072213

Compile data set for download or QSAR
Found 32 hits of Enzyme Inhibition Constant Data   
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


(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
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 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


(Homo sapiens (Human))
BDBM50399094
PNG
(CHEMBL2179313)
Show SMILES FC(F)(F)Cc1nnc2c(Cl)c(ccn12)N1CCC(CC1)c1ccccc1
Show InChI InChI=1S/C19H18ClF3N4/c20-17-15(8-11-27-16(12-19(21,22)23)24-25-18(17)27)26-9-6-14(7-10-26)13-4-2-1-3-5-13/h1-5,8,11,14H,6-7,9-10,12H2
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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 modulator activity at human mGlu2R expressed in CHO cells incubated for 30 mins by [35S]GTPgammaS 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


(Homo sapiens (Human))
BDBM50399099
PNG
(CHEMBL2179333)
Show SMILES FC(F)(F)Cc1nnc2c(C#N)c(ccn12)N1CCC(CC1)c1ccccc1
Show InChI InChI=1S/C20H18F3N5/c21-20(22,23)12-18-25-26-19-16(13-24)17(8-11-28(18)19)27-9-6-15(7-10-27)14-4-2-1-3-5-14/h1-5,8,11,15H,6-7,9-10,12H2
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n/an/an/an/a 56n/an/an/an/a



Janssen-Cilag S.A.

Curated by ChEMBL


Assay Description
Positive allosteric modulator activity at human mGlu2R expressed in CHO cells incubated for 30 mins by [35S]GTPgammaS 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


(Homo sapiens (Human))
BDBM50399080
PNG
(CHEMBL2179327)
Show SMILES FC(F)(F)c1c(ccn2c(CC3CC3)nnc12)N1CCC(CC1)c1cccnc1
Show InChI InChI=1S/C21H22F3N5/c22-21(23,24)19-17(7-11-29-18(12-14-3-4-14)26-27-20(19)29)28-9-5-15(6-10-28)16-2-1-8-25-13-16/h1-2,7-8,11,13-15H,3-6,9-10,12H2
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n/an/an/an/a 519n/an/an/an/a



Janssen-Cilag S.A.

Curated by ChEMBL


Assay Description
Positive allosteric modulator activity at human mGlu2R expressed in CHO cells incubated for 30 mins by [35S]GTPgammaS 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


(Homo sapiens (Human))
BDBM50399095
PNG
(CHEMBL2179312)
Show SMILES N#Cc1c(ccn2c(CN3CCCC3)nnc12)N1CCC(CC1)c1ccccc1
Show InChI InChI=1S/C23H26N6/c24-16-20-21(28-13-8-19(9-14-28)18-6-2-1-3-7-18)10-15-29-22(25-26-23(20)29)17-27-11-4-5-12-27/h1-3,6-7,10,15,19H,4-5,8-9,11-14,17H2
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n/an/an/an/a 1.12E+3n/an/an/an/a



Janssen-Cilag S.A.

Curated by ChEMBL


Assay Description
Positive allosteric modulator activity at human mGlu2R expressed in CHO cells incubated for 30 mins by [35S]GTPgammaS 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


(Homo sapiens (Human))
BDBM50399085
PNG
(CHEMBL2179322)
Show SMILES FC(F)(F)c1c(ccn2c(CC3CC3)nnc12)N1CCC(F)(CC1)c1ccccc1
Show InChI InChI=1S/C22H22F4N4/c23-21(16-4-2-1-3-5-16)9-12-29(13-10-21)17-8-11-30-18(14-15-6-7-15)27-28-20(30)19(17)22(24,25)26/h1-5,8,11,15H,6-7,9-10,12-14H2
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n/an/an/an/a 39n/an/an/an/a



Janssen-Cilag S.A.

Curated by ChEMBL


Assay Description
Positive allosteric modulator activity at human mGlu2R expressed in CHO cells incubated for 30 mins by [35S]GTPgammaS 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


(Homo sapiens (Human))
BDBM50399090
PNG
(CHEMBL2179317)
Show SMILES FC(F)(F)C1(CCN(CC1)c1ccn2c(CC3CC3)nnc2c1Cl)c1ccccc1
Show InChI InChI=1S/C22H22ClF3N4/c23-19-17(8-11-30-18(14-15-6-7-15)27-28-20(19)30)29-12-9-21(10-13-29,22(24,25)26)16-4-2-1-3-5-16/h1-5,8,11,15H,6-7,9-10,12-14H2
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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 modulator activity at human mGlu2R expressed in CHO cells incubated for 30 mins by [35S]GTPgammaS 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


(Homo sapiens (Human))
BDBM50399092
PNG
(CHEMBL2179315)
Show SMILES CCc1nnc2c(Cl)c(ccn12)N1CCC(CC1)c1ccccc1
Show InChI InChI=1S/C19H21ClN4/c1-2-17-21-22-19-18(20)16(10-13-24(17)19)23-11-8-15(9-12-23)14-6-4-3-5-7-14/h3-7,10,13,15H,2,8-9,11-12H2,1H3
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n/an/an/an/a 386n/an/an/an/a



Janssen-Cilag S.A.

Curated by ChEMBL


Assay Description
Positive allosteric modulator activity at human mGlu2R expressed in CHO cells incubated for 30 mins by [35S]GTPgammaS 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


(Homo sapiens (Human))
BDBM50399083
PNG
(CHEMBL2179324)
Show SMILES FC(F)(F)c1c(ccn2c(CC3CC3)nnc12)N1Cc2ccccc2C1
Show InChI InChI=1S/C19H17F3N4/c20-19(21,22)17-15(25-10-13-3-1-2-4-14(13)11-25)7-8-26-16(9-12-5-6-12)23-24-18(17)26/h1-4,7-8,12H,5-6,9-11H2
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n/an/an/an/a 400n/an/an/an/a



Janssen-Cilag S.A.

Curated by ChEMBL


Assay Description
Positive allosteric modulator activity at human mGlu2R expressed in CHO cells incubated for 30 mins by [35S]GTPgammaS 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


(Homo sapiens (Human))
BDBM50399087
PNG
(CHEMBL2179320)
Show SMILES CCc1nnc2c(c(ccn12)N1CCC(CC1)c1ccccc1)C(F)(F)F
Show InChI InChI=1S/C20H21F3N4/c1-2-17-24-25-19-18(20(21,22)23)16(10-13-27(17)19)26-11-8-15(9-12-26)14-6-4-3-5-7-14/h3-7,10,13,15H,2,8-9,11-12H2,1H3
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n/an/an/an/a 116n/an/an/an/a



Janssen-Cilag S.A.

Curated by ChEMBL


Assay Description
Positive allosteric modulator activity at human mGlu2R expressed in CHO cells incubated for 30 mins by [35S]GTPgammaS 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


(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/an/an/a 17n/an/an/an/a



Janssen-Cilag S.A.

Curated by ChEMBL


Assay Description
Positive allosteric modulator activity at human mGlu2R expressed in CHO cells incubated for 30 mins by [35S]GTPgammaS 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


(Homo sapiens (Human))
BDBM50399089
PNG
(CHEMBL2179318)
Show SMILES Clc1c(ccn2c(CC3CC3)nnc12)N1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C20H22ClN5/c21-19-17(8-9-26-18(14-15-6-7-15)22-23-20(19)26)25-12-10-24(11-13-25)16-4-2-1-3-5-16/h1-5,8-9,15H,6-7,10-14H2
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n/an/an/an/a 944n/an/an/an/a



Janssen-Cilag S.A.

Curated by ChEMBL


Assay Description
Positive allosteric modulator activity at human mGlu2R expressed in CHO cells incubated for 30 mins by [35S]GTPgammaS 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


(Homo sapiens (Human))
BDBM50399097
PNG
(CHEMBL2179310)
Show SMILES CC(C)(C)c1nnc2c(C#N)c(ccn12)N1CCC(CC1)c1ccccc1
Show InChI InChI=1S/C22H25N5/c1-22(2,3)21-25-24-20-18(15-23)19(11-14-27(20)21)26-12-9-17(10-13-26)16-7-5-4-6-8-16/h4-8,11,14,17H,9-10,12-13H2,1-3H3
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n/an/an/an/a 1.23E+3n/an/an/an/a



Janssen-Cilag S.A.

Curated by ChEMBL


Assay Description
Positive allosteric modulator activity at human mGlu2R expressed in CHO cells incubated for 30 mins by [35S]GTPgammaS 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


(Homo sapiens (Human))
BDBM50399100
PNG
(CHEMBL2179332)
Show SMILES FC(F)(F)Cc1cnc2c(C#N)c(ccn12)N1CCC(CC1)c1ccccc1
Show InChI InChI=1S/C21H19F3N4/c22-21(23,24)12-17-14-26-20-18(13-25)19(8-11-28(17)20)27-9-6-16(7-10-27)15-4-2-1-3-5-15/h1-5,8,11,14,16H,6-7,9-10,12H2
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n/an/an/an/a 125n/an/an/an/a



Janssen-Cilag S.A.

Curated by ChEMBL


Assay Description
Positive allosteric modulator activity at human mGlu2R expressed in CHO cells incubated for 30 mins by [35S]GTPgammaS 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


(Homo sapiens (Human))
BDBM50399102
PNG
(CHEMBL2179330)
Show SMILES CCCc1cnc2c(C#N)c(ccn12)N1CCC(CC1)c1ccccc1
Show InChI InChI=1S/C22H24N4/c1-2-6-19-16-24-22-20(15-23)21(11-14-26(19)22)25-12-9-18(10-13-25)17-7-4-3-5-8-17/h3-5,7-8,11,14,16,18H,2,6,9-10,12-13H2,1H3
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n/an/an/an/a 155n/an/an/an/a



Janssen-Cilag S.A.

Curated by ChEMBL


Assay Description
Positive allosteric modulator activity at human mGlu2R expressed in CHO cells incubated for 30 mins by [35S]GTPgammaS 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


(Homo sapiens (Human))
BDBM50399091
PNG
(CHEMBL2179316)
Show SMILES FC(F)(F)Cc1nnc2c(Cl)c(ccn12)N1CCC(F)(CC1)c1ccccc1
Show InChI InChI=1S/C19H17ClF4N4/c20-16-14(6-9-28-15(12-19(22,23)24)25-26-17(16)28)27-10-7-18(21,8-11-27)13-4-2-1-3-5-13/h1-6,9H,7-8,10-12H2
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n/an/an/an/a 116n/an/an/an/a



Janssen-Cilag S.A.

Curated by ChEMBL


Assay Description
Positive allosteric modulator activity at human mGlu2R expressed in CHO cells incubated for 30 mins by [35S]GTPgammaS 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


(Homo sapiens (Human))
BDBM50399096
PNG
(CHEMBL2179311)
Show SMILES COCc1nnc2c(C#N)c(ccn12)N1CCC(CC1)c1ccccc1
Show InChI InChI=1S/C20H21N5O/c1-26-14-19-22-23-20-17(13-21)18(9-12-25(19)20)24-10-7-16(8-11-24)15-5-3-2-4-6-15/h2-6,9,12,16H,7-8,10-11,14H2,1H3
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n/an/an/an/a 468n/an/an/an/a



Janssen-Cilag S.A.

Curated by ChEMBL


Assay Description
Positive allosteric modulator activity at human mGlu2R expressed in CHO cells incubated for 30 mins by [35S]GTPgammaS 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


(Homo sapiens (Human))
BDBM50399103
PNG
(CHEMBL2179329)
Show SMILES CCc1nnc2c(C#N)c(ccn12)N1CCC(CC1)c1ccccc1
Show InChI InChI=1S/C20H21N5/c1-2-19-22-23-20-17(14-21)18(10-13-25(19)20)24-11-8-16(9-12-24)15-6-4-3-5-7-15/h3-7,10,13,16H,2,8-9,11-12H2,1H3
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n/an/an/an/a 696n/an/an/an/a



Janssen-Cilag S.A.

Curated by ChEMBL


Assay Description
Positive allosteric modulator activity at human mGlu2R expressed in CHO cells incubated for 30 mins by [35S]GTPgammaS 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


(Homo sapiens (Human))
BDBM50399084
PNG
(CHEMBL2179323)
Show SMILES FC(F)(F)c1c(ccn2c(CC3CC3)nnc12)N1CCc2ccccc2C1
Show InChI InChI=1S/C20H19F3N4/c21-20(22,23)18-16(26-9-7-14-3-1-2-4-15(14)12-26)8-10-27-17(11-13-5-6-13)24-25-19(18)27/h1-4,8,10,13H,5-7,9,11-12H2
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n/an/an/an/a 149n/an/an/an/a



Janssen-Cilag S.A.

Curated by ChEMBL


Assay Description
Positive allosteric modulator activity at human mGlu2R expressed in CHO cells incubated for 30 mins by [35S]GTPgammaS 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


(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/an/an/a 270n/an/an/an/a



Janssen-Cilag S.A.

Curated by ChEMBL


Assay Description
Agonist activity at human mGlu2R expressed in CHO cells


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


(Homo sapiens (Human))
BDBM50399081
PNG
(CHEMBL2179326)
Show SMILES Fc1ccc(C2CCN(CC2)c2ccn3c(CC4CC4)nnc3c2C(F)(F)F)c(F)c1
Show InChI InChI=1S/C22H21F5N4/c23-15-3-4-16(17(24)12-15)14-5-8-30(9-6-14)18-7-10-31-19(11-13-1-2-13)28-29-21(31)20(18)22(25,26)27/h3-4,7,10,12-14H,1-2,5-6,8-9,11H2
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n/an/an/an/a 10n/an/an/an/a



Janssen-Cilag S.A.

Curated by ChEMBL


Assay Description
Positive allosteric modulator activity at human mGlu2R expressed in CHO cells incubated for 30 mins by [35S]GTPgammaS 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


(Homo sapiens (Human))
BDBM50399104
PNG
(CHEMBL2179328)
Show SMILES CCc1cnc2c(C#N)c(ccn12)N1CCC(CC1)c1ccccc1
Show InChI InChI=1S/C21H22N4/c1-2-18-15-23-21-19(14-22)20(10-13-25(18)21)24-11-8-17(9-12-24)16-6-4-3-5-7-16/h3-7,10,13,15,17H,2,8-9,11-12H2,1H3
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n/an/an/an/a 501n/an/an/an/a



Janssen-Cilag S.A.

Curated by ChEMBL


Assay Description
Positive allosteric modulator activity at human mGlu2R expressed in CHO cells incubated for 30 mins by [35S]GTPgammaS 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


(Homo sapiens (Human))
BDBM50399101
PNG
(CHEMBL2179331)
Show SMILES CCCc1nnc2c(C#N)c(ccn12)N1CCC(CC1)c1ccccc1
Show InChI InChI=1S/C21H23N5/c1-2-6-20-23-24-21-18(15-22)19(11-14-26(20)21)25-12-9-17(10-13-25)16-7-4-3-5-8-16/h3-5,7-8,11,14,17H,2,6,9-10,12-13H2,1H3
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n/an/an/an/a 299n/an/an/an/a



Janssen-Cilag S.A.

Curated by ChEMBL


Assay Description
Positive allosteric modulator activity at human mGlu2R expressed in CHO cells incubated for 30 mins by [35S]GTPgammaS 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


(Homo sapiens (Human))
BDBM50399098
PNG
(CHEMBL2179309)
Show SMILES N#Cc1c(ccn2c(CC3CC3)nnc12)N1CCC(CC1)c1ccccc1
Show InChI InChI=1S/C22H23N5/c23-15-19-20(10-13-27-21(14-16-6-7-16)24-25-22(19)27)26-11-8-18(9-12-26)17-4-2-1-3-5-17/h1-5,10,13,16,18H,6-9,11-12,14H2
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n/an/an/an/a 74n/an/an/an/a



Janssen-Cilag S.A.

Curated by ChEMBL


Assay Description
Positive allosteric modulator activity at human mGlu2R expressed in CHO cells incubated for 30 mins by [35S]GTPgammaS 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


(Homo sapiens (Human))
BDBM50399082
PNG
(CHEMBL2179325)
Show SMILES FC(F)(F)c1c(ccn2c(CC3CC3)nnc12)N1CCC(C1)c1ccccc1
Show InChI InChI=1S/C21H21F3N4/c22-21(23,24)19-17(27-10-8-16(13-27)15-4-2-1-3-5-15)9-11-28-18(12-14-6-7-14)25-26-20(19)28/h1-5,9,11,14,16H,6-8,10,12-13H2
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n/an/an/an/a 1.23E+3n/an/an/an/a



Janssen-Cilag S.A.

Curated by ChEMBL


Assay Description
Positive allosteric modulator activity at human mGlu2R expressed in CHO cells incubated for 30 mins by [35S]GTPgammaS 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


(Homo sapiens (Human))
BDBM50399086
PNG
(CHEMBL2179321)
Show SMILES CCCCc1nnc2c(c(ccn12)N1CCC(CC1)c1ccccc1)C(F)(F)F
Show InChI InChI=1S/C22H25F3N4/c1-2-3-9-19-26-27-21-20(22(23,24)25)18(12-15-29(19)21)28-13-10-17(11-14-28)16-7-5-4-6-8-16/h4-8,12,15,17H,2-3,9-11,13-14H2,1H3
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n/an/an/an/a 24n/an/an/an/a



Janssen-Cilag S.A.

Curated by ChEMBL


Assay Description
Positive allosteric modulator activity at human mGlu2R expressed in CHO cells incubated for 30 mins by [35S]GTPgammaS 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


(Homo sapiens (Human))
BDBM50399093
PNG
(CHEMBL2179314)
Show SMILES Clc1c(ccn2c(CC3CC3)nnc12)N1CCC(CC1)c1ccccc1
Show InChI InChI=1S/C21H23ClN4/c22-20-18(10-13-26-19(14-15-6-7-15)23-24-21(20)26)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 102n/an/an/an/a



Janssen-Cilag S.A.

Curated by ChEMBL


Assay Description
Positive allosteric modulator activity at human mGlu2R expressed in CHO cells incubated for 30 mins by [35S]GTPgammaS 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
* indicates data uncertainty>20%