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PubMed code 22992024

Compile data set for download or QSAR
Found 21 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
Sodium-dependent dopamine transporter


(Homo sapiens (Human))		BDBM50401389
PNG
(CHEMBL2206441)
Show SMILES COc1ccc(F)cc1C1CCN(CC1)c1ccn2c(CC3CC3)nnc2c1Cl
Show InChI InChI=1S/C22H24ClFN4O/c1-29-19-5-4-16(24)13-17(19)15-6-9-27(10-7-15)18-8-11-28-20(12-14-2-3-14)25-26-22(28)21(18)23/h4-5,8,11,13-15H,2-3,6-7,9-10,12H2,1H3
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 5.01E+3n/an/an/an/an/an/an/an/a



Janssen-Cilag S.A.

Curated by ChEMBL


Assay Description
Binding affinity to DAT

J Med Chem 55: 8685-99 (2012)


Article DOI: 10.1021/jm300912k
BindingDB Entry DOI: 10.7270/Q2FQ9XSS
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))		BDBM50401387
PNG
(CHEMBL2206445)
Show SMILES COc1c(F)ccc(F)c1C1CCN(CC1)c1ccn2c(CC3CC3)nnc2c1Cl
Show InChI InChI=1S/C22H23ClF2N4O/c1-30-21-16(25)5-4-15(24)19(21)14-6-9-28(10-7-14)17-8-11-29-18(12-13-2-3-13)26-27-22(29)20(17)23/h4-5,8,11,13-14H,2-3,6-7,9-10,12H2,1H3
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>8.50E+3n/an/an/an/an/an/an/an/a



Janssen-Cilag S.A.

Curated by ChEMBL


Assay Description
Binding affinity to DAT

J Med Chem 55: 8685-99 (2012)


Article DOI: 10.1021/jm300912k
BindingDB Entry DOI: 10.7270/Q2FQ9XSS
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))		BDBM50401385
PNG
(CHEMBL2206447)
Show SMILES COc1cc(F)cc(F)c1C1CCN(CC1)c1ccn2c(CC3CC3)nnc2c1Cl
Show InChI InChI=1S/C22H23ClF2N4O/c1-30-18-12-15(24)11-16(25)20(18)14-4-7-28(8-5-14)17-6-9-29-19(10-13-2-3-13)26-27-22(29)21(17)23/h6,9,11-14H,2-5,7-8,10H2,1H3
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n/an/a 5.60n/an/an/an/an/an/a



Janssen-Cilag S.A.

Curated by ChEMBL


Assay Description
Displacement of [3H]JNJ-40068782 from human mGLuR2 expressed in CHO cell membrane after 60 mins by liquid scintillation counting

J Med Chem 55: 8685-99 (2012)


Article DOI: 10.1021/jm300912k
BindingDB Entry DOI: 10.7270/Q2FQ9XSS
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))		BDBM50401386
PNG
(CHEMBL2206446)
Show SMILES COc1ccc(F)c(F)c1C1CCN(CC1)c1ccn2c(CC3CC3)nnc2c1Cl
Show InChI InChI=1S/C22H23ClF2N4O/c1-30-17-5-4-15(24)21(25)19(17)14-6-9-28(10-7-14)16-8-11-29-18(12-13-2-3-13)26-27-22(29)20(16)23/h4-5,8,11,13-14H,2-3,6-7,9-10,12H2,1H3
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n/an/a 7.30n/an/an/an/an/an/a



Janssen-Cilag S.A.

Curated by ChEMBL


Assay Description
Displacement of [3H]JNJ-40068782 from human mGLuR2 expressed in CHO cell membrane after 60 mins by liquid scintillation counting

J Med Chem 55: 8685-99 (2012)


Article DOI: 10.1021/jm300912k
BindingDB Entry DOI: 10.7270/Q2FQ9XSS
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))		BDBM50401387
PNG
(CHEMBL2206445)
Show SMILES COc1c(F)ccc(F)c1C1CCN(CC1)c1ccn2c(CC3CC3)nnc2c1Cl
Show InChI InChI=1S/C22H23ClF2N4O/c1-30-21-16(25)5-4-15(24)19(21)14-6-9-28(10-7-14)17-8-11-29-18(12-13-2-3-13)26-27-22(29)20(17)23/h4-5,8,11,13-14H,2-3,6-7,9-10,12H2,1H3
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n/an/a 9.23n/an/an/an/an/an/a



Janssen-Cilag S.A.

Curated by ChEMBL


Assay Description
Displacement of [3H]JNJ-40068782 from human mGLuR2 expressed in CHO cell membrane after 60 mins by liquid scintillation counting

J Med Chem 55: 8685-99 (2012)


Article DOI: 10.1021/jm300912k
BindingDB Entry DOI: 10.7270/Q2FQ9XSS
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))		BDBM50401388
PNG
(CHEMBL2206442)
Show SMILES COc1cccc(F)c1C1CCN(CC1)c1ccn2c(CC3CC3)nnc2c1Cl
Show InChI InChI=1S/C22H24ClFN4O/c1-29-18-4-2-3-16(24)20(18)15-7-10-27(11-8-15)17-9-12-28-19(13-14-5-6-14)25-26-22(28)21(17)23/h2-4,9,12,14-15H,5-8,10-11,13H2,1H3
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n/an/a 11.2n/an/an/an/an/an/a



Janssen-Cilag S.A.

Curated by ChEMBL


Assay Description
Displacement of [3H]JNJ-40068782 from human mGLuR2 expressed in CHO cell membrane after 60 mins by liquid scintillation counting

J Med Chem 55: 8685-99 (2012)


Article DOI: 10.1021/jm300912k
BindingDB Entry DOI: 10.7270/Q2FQ9XSS
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))		BDBM50401389
PNG
(CHEMBL2206441)
Show SMILES COc1ccc(F)cc1C1CCN(CC1)c1ccn2c(CC3CC3)nnc2c1Cl
Show InChI InChI=1S/C22H24ClFN4O/c1-29-19-5-4-16(24)13-17(19)15-6-9-27(10-7-15)18-8-11-28-20(12-14-2-3-14)25-26-22(28)21(18)23/h4-5,8,11,13-15H,2-3,6-7,9-10,12H2,1H3
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n/an/a 11.2n/an/an/an/an/an/a



Janssen-Cilag S.A.

Curated by ChEMBL


Assay Description
Displacement of [3H]JNJ-40068782 from human mGLuR2 expressed in CHO cell membrane after 60 mins by liquid scintillation counting

J Med Chem 55: 8685-99 (2012)


Article DOI: 10.1021/jm300912k
BindingDB Entry DOI: 10.7270/Q2FQ9XSS
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))		BDBM50401389
PNG
(CHEMBL2206441)
Show SMILES COc1ccc(F)cc1C1CCN(CC1)c1ccn2c(CC3CC3)nnc2c1Cl
Show InChI InChI=1S/C22H24ClFN4O/c1-29-19-5-4-16(24)13-17(19)15-6-9-27(10-7-15)18-8-11-28-20(12-14-2-3-14)25-26-22(28)21(18)23/h4-5,8,11,13-15H,2-3,6-7,9-10,12H2,1H3
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n/an/an/an/a 8.20n/an/an/an/a



Janssen-Cilag S.A.

Curated by ChEMBL


Assay Description
Agonist activity at human mGLuR2 expressed in CHO cell membrane assessed as [32S]GTPgammaS after 30 mins by scintillation counting

J Med Chem 55: 8685-99 (2012)


Article DOI: 10.1021/jm300912k
BindingDB Entry DOI: 10.7270/Q2FQ9XSS
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))		BDBM50401395
PNG
(CHEMBL2206440)
Show SMILES COc1ccccc1C1CCN(CC1)c1ccn2c(CC3CC3)nnc2c1Cl
Show InChI InChI=1S/C22H25ClN4O/c1-28-19-5-3-2-4-17(19)16-8-11-26(12-9-16)18-10-13-27-20(14-15-6-7-15)24-25-22(27)21(18)23/h2-5,10,13,15-16H,6-9,11-12,14H2,1H3
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n/an/an/an/a 20n/an/an/an/a



Janssen-Cilag S.A.

Curated by ChEMBL


Assay Description
Agonist activity at human mGLuR2 expressed in CHO cell membrane assessed as [32S]GTPgammaS after 30 mins by scintillation counting

J Med Chem 55: 8685-99 (2012)


Article DOI: 10.1021/jm300912k
BindingDB Entry DOI: 10.7270/Q2FQ9XSS
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))		BDBM50401387
PNG
(CHEMBL2206445)
Show SMILES COc1c(F)ccc(F)c1C1CCN(CC1)c1ccn2c(CC3CC3)nnc2c1Cl
Show InChI InChI=1S/C22H23ClF2N4O/c1-30-21-16(25)5-4-15(24)19(21)14-6-9-28(10-7-14)17-8-11-29-18(12-13-2-3-13)26-27-22(29)20(17)23/h4-5,8,11,13-14H,2-3,6-7,9-10,12H2,1H3
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n/an/an/an/a 7.5n/an/an/an/a



Janssen-Cilag S.A.

Curated by ChEMBL


Assay Description
Agonist activity at human mGLuR2 expressed in CHO cell membrane assessed as [32S]GTPgammaS after 30 mins by scintillation counting

J Med Chem 55: 8685-99 (2012)


Article DOI: 10.1021/jm300912k
BindingDB Entry DOI: 10.7270/Q2FQ9XSS
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))		BDBM50401394
PNG
(CHEMBL2206443)
Show SMILES COc1c(F)cccc1C1CCN(CC1)c1ccn2c(CC3CC3)nnc2c1Cl
Show InChI InChI=1S/C22H24ClFN4O/c1-29-21-16(3-2-4-17(21)24)15-7-10-27(11-8-15)18-9-12-28-19(13-14-5-6-14)25-26-22(28)20(18)23/h2-4,9,12,14-15H,5-8,10-11,13H2,1H3
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n/an/an/an/a 37n/an/an/an/a



Janssen-Cilag S.A.

Curated by ChEMBL


Assay Description
Agonist activity at human mGLuR2 expressed in CHO cell membrane assessed as [32S]GTPgammaS after 30 mins by scintillation counting

J Med Chem 55: 8685-99 (2012)


Article DOI: 10.1021/jm300912k
BindingDB Entry DOI: 10.7270/Q2FQ9XSS
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))		BDBM50401390
PNG
(CHEMBL2206437)
Show SMILES Fc1ccc(C2CCN(CC2)c2ccn3c(CC4CC4)nnc3c2Cl)c(F)c1
Show InChI InChI=1S/C21H21ClF2N4/c22-20-18(7-10-28-19(11-13-1-2-13)25-26-21(20)28)27-8-5-14(6-9-27)16-4-3-15(23)12-17(16)24/h3-4,7,10,12-14H,1-2,5-6,8-9,11H2
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n/an/an/an/a 61.7n/an/an/an/a



Janssen-Cilag S.A.

Curated by ChEMBL


Assay Description
Agonist activity at human mGLuR2 expressed in CHO cell membrane assessed as [32S]GTPgammaS after 30 mins by scintillation counting

J Med Chem 55: 8685-99 (2012)


Article DOI: 10.1021/jm300912k
BindingDB Entry DOI: 10.7270/Q2FQ9XSS
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))		BDBM50401385
PNG
(CHEMBL2206447)
Show SMILES COc1cc(F)cc(F)c1C1CCN(CC1)c1ccn2c(CC3CC3)nnc2c1Cl
Show InChI InChI=1S/C22H23ClF2N4O/c1-30-18-12-15(24)11-16(25)20(18)14-4-7-28(8-5-14)17-6-9-29-19(10-13-2-3-13)26-27-22(29)21(17)23/h6,9,11-14H,2-5,7-8,10H2,1H3
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n/an/an/an/a 6.90n/an/an/an/a



Janssen-Cilag S.A.

Curated by ChEMBL


Assay Description
Agonist activity at human mGLuR2 expressed in CHO cell membrane assessed as [32S]GTPgammaS after 30 mins by scintillation counting

J Med Chem 55: 8685-99 (2012)


Article DOI: 10.1021/jm300912k
BindingDB Entry DOI: 10.7270/Q2FQ9XSS
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))		BDBM50401393
PNG
(CHEMBL2206444)
Show SMILES COc1c(F)c(F)ccc1C1CCN(CC1)c1ccn2c(CC3CC3)nnc2c1Cl
Show InChI InChI=1S/C22H23ClF2N4O/c1-30-21-15(4-5-16(24)20(21)25)14-6-9-28(10-7-14)17-8-11-29-18(12-13-2-3-13)26-27-22(29)19(17)23/h4-5,8,11,13-14H,2-3,6-7,9-10,12H2,1H3
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n/an/an/an/a 26n/an/an/an/a



Janssen-Cilag S.A.

Curated by ChEMBL


Assay Description
Agonist activity at human mGLuR2 expressed in CHO cell membrane assessed as [32S]GTPgammaS after 30 mins by scintillation counting

J Med Chem 55: 8685-99 (2012)


Article DOI: 10.1021/jm300912k
BindingDB Entry DOI: 10.7270/Q2FQ9XSS
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))		BDBM50401386
PNG
(CHEMBL2206446)
Show SMILES COc1ccc(F)c(F)c1C1CCN(CC1)c1ccn2c(CC3CC3)nnc2c1Cl
Show InChI InChI=1S/C22H23ClF2N4O/c1-30-17-5-4-15(24)21(25)19(17)14-6-9-28(10-7-14)16-8-11-29-18(12-13-2-3-13)26-27-22(29)20(16)23/h4-5,8,11,13-14H,2-3,6-7,9-10,12H2,1H3
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n/an/an/an/a 9.30n/an/an/an/a



Janssen-Cilag S.A.

Curated by ChEMBL


Assay Description
Agonist activity at human mGLuR2 expressed in CHO cell membrane assessed as [32S]GTPgammaS after 30 mins by scintillation counting

J Med Chem 55: 8685-99 (2012)


Article DOI: 10.1021/jm300912k
BindingDB Entry DOI: 10.7270/Q2FQ9XSS
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 56.2n/an/an/an/a



Janssen-Cilag S.A.

Curated by ChEMBL


Assay Description
Agonist activity at human mGLuR2 expressed in CHO cell membrane assessed as [32S]GTPgammaS after 30 mins by scintillation counting

J Med Chem 55: 8685-99 (2012)


Article DOI: 10.1021/jm300912k
BindingDB Entry DOI: 10.7270/Q2FQ9XSS
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))		BDBM50401392
PNG
(CHEMBL2206448)
Show SMILES COc1c(F)cccc1C1CCN(CC1)c1ccn2c(CC3CC3)nnc2c1C(F)(F)F
Show InChI InChI=1S/C23H24F4N4O/c1-32-21-16(3-2-4-17(21)24)15-7-10-30(11-8-15)18-9-12-31-19(13-14-5-6-14)28-29-22(31)20(18)23(25,26)27/h2-4,9,12,14-15H,5-8,10-11,13H2,1H3
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n/an/an/an/a 11n/an/an/an/a



Janssen-Cilag S.A.

Curated by ChEMBL


Assay Description
Agonist activity at human mGLuR2 expressed in CHO cell membrane assessed as [32S]GTPgammaS after 30 mins by scintillation counting

J Med Chem 55: 8685-99 (2012)


Article DOI: 10.1021/jm300912k
BindingDB Entry DOI: 10.7270/Q2FQ9XSS
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))		BDBM50401391
PNG
(CHEMBL2206449)
Show SMILES COc1c(F)ccc(F)c1C1CCN(CC1)c1ccn2c(CC3CC3)nnc2c1C(F)(F)F
Show InChI InChI=1S/C23H23F5N4O/c1-33-21-16(25)5-4-15(24)19(21)14-6-9-31(10-7-14)17-8-11-32-18(12-13-2-3-13)29-30-22(32)20(17)23(26,27)28/h4-5,8,11,13-14H,2-3,6-7,9-10,12H2,1H3
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n/an/an/an/a 4.10n/an/an/an/a



Janssen-Cilag S.A.

Curated by ChEMBL


Assay Description
Agonist activity at human mGLuR2 expressed in CHO cell membrane assessed as [32S]GTPgammaS after 30 mins by scintillation counting

J Med Chem 55: 8685-99 (2012)


Article DOI: 10.1021/jm300912k
BindingDB Entry DOI: 10.7270/Q2FQ9XSS
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))		BDBM50401396
PNG
(CHEMBL2206439)
Show SMILES COc1ccc(F)cc1C1CCN(CC1)c1ccn2c(CC(F)(F)F)nnc2c1Cl
Show InChI InChI=1S/C20H19ClF4N4O/c1-30-16-3-2-13(22)10-14(16)12-4-7-28(8-5-12)15-6-9-29-17(11-20(23,24)25)26-27-19(29)18(15)21/h2-3,6,9-10,12H,4-5,7-8,11H2,1H3
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n/an/an/an/a 10.5n/an/an/an/a



Janssen-Cilag S.A.

Curated by ChEMBL


Assay Description
Agonist activity at human mGLuR2 expressed in CHO cell membrane assessed as [32S]GTPgammaS after 30 mins by scintillation counting

J Med Chem 55: 8685-99 (2012)


Article DOI: 10.1021/jm300912k
BindingDB Entry DOI: 10.7270/Q2FQ9XSS
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))		BDBM50401397
PNG
(CHEMBL2206438)
Show SMILES COc1c(F)cccc1C1CCN(CC1)c1ccn2c(CC(F)(F)F)nnc2c1C#N
Show InChI InChI=1S/C21H19F4N5O/c1-31-19-14(3-2-4-16(19)22)13-5-8-29(9-6-13)17-7-10-30-18(11-21(23,24)25)27-28-20(30)15(17)12-26/h2-4,7,10,13H,5-6,8-9,11H2,1H3
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n/an/an/an/a 31n/an/an/an/a



Janssen-Cilag S.A.

Curated by ChEMBL


Assay Description
Agonist activity at human mGLuR2 expressed in CHO cell membrane assessed as [32S]GTPgammaS after 30 mins by scintillation counting

J Med Chem 55: 8685-99 (2012)


Article DOI: 10.1021/jm300912k
BindingDB Entry DOI: 10.7270/Q2FQ9XSS
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))		BDBM50401388
PNG
(CHEMBL2206442)
Show SMILES COc1cccc(F)c1C1CCN(CC1)c1ccn2c(CC3CC3)nnc2c1Cl
Show InChI InChI=1S/C22H24ClFN4O/c1-29-18-4-2-3-16(24)20(18)15-7-10-27(11-8-15)17-9-12-28-19(13-14-5-6-14)25-26-22(28)21(17)23/h2-4,9,12,14-15H,5-8,10-11,13H2,1H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/an/an/a 6n/an/an/an/a



Janssen-Cilag S.A.

Curated by ChEMBL


Assay Description
Agonist activity at human mGLuR2 expressed in CHO cell membrane assessed as [32S]GTPgammaS after 30 mins by scintillation counting

J Med Chem 55: 8685-99 (2012)


Article DOI: 10.1021/jm300912k
BindingDB Entry DOI: 10.7270/Q2FQ9XSS
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%