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PubMed code 22352782

Compile data set for download or QSAR
Found 17 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 (mGluR2)


(Homo sapiens (Human))
BDBM50393315
PNG
(CHEMBL2152112)
Show SMILES Cn1ccc2cc(ccc12)-c1ccn2c(CC(F)(F)F)cnc2c1C#N
Show InChI InChI=1S/C19H13F3N4/c1-25-6-4-13-8-12(2-3-17(13)25)15-5-7-26-14(9-19(20,21)22)11-24-18(26)16(15)10-23/h2-8,11H,9H2,1H3
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n/an/an/an/a 230n/an/an/an/a



Janssen-Cilag S.A.

Curated by ChEMBL


Assay Description
Agonist activity at human mGlu 2 expressed in CHO cells assessed as [35S]GTPgammaS binding by liquid scintillation analysis


J Med Chem 55: 2688-701 (2012)


Article DOI: 10.1021/jm201561r
BindingDB Entry DOI: 10.7270/Q2SN0B2B
More data for this
Ligand-Target Pair
GRM7


(HUMAN)
BDBM50393322
PNG
(CHEMBL2152119)
Show SMILES O[C@H]1CC[C@@H](CC1)n1ccc2cc(ccc12)-c1ccn2c(CC(F)(F)F)cnc2c1Cl
Show InChI InChI=1S/C23H21ClF3N3O/c24-21-19(8-10-30-17(12-23(25,26)27)13-28-22(21)30)14-1-6-20-15(11-14)7-9-29(20)16-2-4-18(31)5-3-16/h1,6-11,13,16,18,31H,2-5,12H2/t16-,18-
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n/an/an/an/a 5.20E+3n/an/an/an/a



Janssen-Cilag S.A.

Curated by ChEMBL


Assay Description
Agonist activity at human mGlu 7 expressed in HEK293 cells by Ca+2 assay


J Med Chem 55: 2688-701 (2012)


Article DOI: 10.1021/jm201561r
BindingDB Entry DOI: 10.7270/Q2SN0B2B
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2 (mGluR2)


(Homo sapiens (Human))
BDBM50393310
PNG
(CHEMBL605921)
Show SMILES FC(F)(F)Cc1cnc2c(C#N)c(ccn12)-c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C22H14F3N3O/c23-22(24,25)12-16-14-27-21-20(13-26)19(10-11-28(16)21)15-6-8-18(9-7-15)29-17-4-2-1-3-5-17/h1-11,14H,12H2
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n/an/an/an/a 186n/an/an/an/a



Janssen-Cilag S.A.

Curated by ChEMBL


Assay Description
Agonist activity at human mGlu 2 expressed in CHO cells assessed as [35S]GTPgammaS binding by liquid scintillation analysis


J Med Chem 55: 2688-701 (2012)


Article DOI: 10.1021/jm201561r
BindingDB Entry DOI: 10.7270/Q2SN0B2B
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2 (mGluR2)


(Homo sapiens (Human))
BDBM50393311
PNG
(CHEMBL2152107)
Show SMILES FC(F)(F)Cc1cnc2c(C#N)c(ccn12)-c1ccc(OC2CCOCC2)c(Cl)c1
Show InChI InChI=1S/C21H17ClF3N3O2/c22-18-9-13(1-2-19(18)30-15-4-7-29-8-5-15)16-3-6-28-14(10-21(23,24)25)12-27-20(28)17(16)11-26/h1-3,6,9,12,15H,4-5,7-8,10H2
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n/an/an/an/a 617n/an/an/an/a



Janssen-Cilag S.A.

Curated by ChEMBL


Assay Description
Agonist activity at human mGlu 2 expressed in CHO cells assessed as [35S]GTPgammaS binding by liquid scintillation analysis


J Med Chem 55: 2688-701 (2012)


Article DOI: 10.1021/jm201561r
BindingDB Entry DOI: 10.7270/Q2SN0B2B
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2 (mGluR2)


(Homo sapiens (Human))
BDBM50393324
PNG
(CHEMBL2152121)
Show SMILES FC(F)(F)Cc1cnc2c(Cl)c(ccn12)-c1cc(Cl)c2[nH]ccc2c1
Show InChI InChI=1S/C17H10Cl2F3N3/c18-13-6-10(5-9-1-3-23-15(9)13)12-2-4-25-11(7-17(20,21)22)8-24-16(25)14(12)19/h1-6,8,23H,7H2
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n/an/an/an/a 85n/an/an/an/a



Janssen-Cilag S.A.

Curated by ChEMBL


Assay Description
Agonist activity at human mGlu 2 expressed in CHO cells assessed as [35S]GTPgammaS binding by liquid scintillation analysis


J Med Chem 55: 2688-701 (2012)


Article DOI: 10.1021/jm201561r
BindingDB Entry DOI: 10.7270/Q2SN0B2B
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2 (mGluR2)


(Homo sapiens (Human))
BDBM50393319
PNG
(CHEMBL2152116)
Show SMILES FC(F)(F)Cc1cnc2c(C#N)c(ccn12)-c1cc(Cl)c2[nH]ccc2c1
Show InChI InChI=1S/C18H10ClF3N4/c19-15-6-11(5-10-1-3-24-16(10)15)13-2-4-26-12(7-18(20,21)22)9-25-17(26)14(13)8-23/h1-6,9,24H,7H2
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n/an/an/an/a 320n/an/an/an/a



Janssen-Cilag S.A.

Curated by ChEMBL


Assay Description
Agonist activity at human mGlu 2 expressed in CHO cells assessed as [35S]GTPgammaS binding by liquid scintillation analysis


J Med Chem 55: 2688-701 (2012)


Article DOI: 10.1021/jm201561r
BindingDB Entry DOI: 10.7270/Q2SN0B2B
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2 (mGluR2)


(Homo sapiens (Human))
BDBM50393325
PNG
(CHEMBL2152122)
Show SMILES FC(F)(F)Cc1cnc2c(Cl)c(ccn12)-c1cc(Cl)c2n(CC3CC3)ccc2c1
Show InChI InChI=1S/C21H16Cl2F3N3/c22-17-8-14(7-13-3-5-28(19(13)17)11-12-1-2-12)16-4-6-29-15(9-21(24,25)26)10-27-20(29)18(16)23/h3-8,10,12H,1-2,9,11H2
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n/an/an/an/a 250n/an/an/an/a



Janssen-Cilag S.A.

Curated by ChEMBL


Assay Description
Agonist activity at human mGlu 2 expressed in CHO cells assessed as [35S]GTPgammaS binding by liquid scintillation analysis


J Med Chem 55: 2688-701 (2012)


Article DOI: 10.1021/jm201561r
BindingDB Entry DOI: 10.7270/Q2SN0B2B
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2 (mGluR2)


(Homo sapiens (Human))
BDBM50393314
PNG
(CHEMBL2152110)
Show SMILES FC(F)(F)Cc1cnc2c(C#N)c(ccn12)-c1ccc2NCCOc2c1
Show InChI InChI=1S/C18H13F3N4O/c19-18(20,21)8-12-10-24-17-14(9-22)13(3-5-25(12)17)11-1-2-15-16(7-11)26-6-4-23-15/h1-3,5,7,10,23H,4,6,8H2
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n/an/an/an/a 1.66E+3n/an/an/an/a



Janssen-Cilag S.A.

Curated by ChEMBL


Assay Description
Agonist activity at human mGlu 2 expressed in CHO cells assessed as [35S]GTPgammaS binding by liquid scintillation analysis


J Med Chem 55: 2688-701 (2012)


Article DOI: 10.1021/jm201561r
BindingDB Entry DOI: 10.7270/Q2SN0B2B
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2 (mGluR2)


(Homo sapiens (Human))
BDBM50393317
PNG
(CHEMBL2152114)
Show SMILES FC(F)(F)Cc1cnc2c(C#N)c(ccn12)-c1ccc2n(ccc2c1)C1CCOCC1
Show InChI InChI=1S/C23H19F3N4O/c24-23(25,26)12-18-14-28-22-20(13-27)19(4-8-30(18)22)15-1-2-21-16(11-15)3-7-29(21)17-5-9-31-10-6-17/h1-4,7-8,11,14,17H,5-6,9-10,12H2
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n/an/an/an/a 501n/an/an/an/a



Janssen-Cilag S.A.

Curated by ChEMBL


Assay Description
Agonist activity at human mGlu 2 expressed in CHO cells assessed as [35S]GTPgammaS binding by liquid scintillation analysis


J Med Chem 55: 2688-701 (2012)


Article DOI: 10.1021/jm201561r
BindingDB Entry DOI: 10.7270/Q2SN0B2B
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2 (mGluR2)


(Homo sapiens (Human))
BDBM50393318
PNG
(CHEMBL2152115)
Show SMILES O[C@H]1CC[C@@H](CC1)n1ccc2cc(ccc12)-c1ccn2c(CC(F)(F)F)cnc2c1C#N
Show InChI InChI=1S/C24H21F3N4O/c25-24(26,27)12-18-14-29-23-21(13-28)20(8-10-31(18)23)15-1-6-22-16(11-15)7-9-30(22)17-2-4-19(32)5-3-17/h1,6-11,14,17,19,32H,2-5,12H2/t17-,19-
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n/an/an/an/a 330n/an/an/an/a



Janssen-Cilag S.A.

Curated by ChEMBL


Assay Description
Agonist activity at human mGlu 2 expressed in CHO cells assessed as [35S]GTPgammaS binding by liquid scintillation analysis


J Med Chem 55: 2688-701 (2012)


Article DOI: 10.1021/jm201561r
BindingDB Entry DOI: 10.7270/Q2SN0B2B
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2 (mGluR2)


(Homo sapiens (Human))
BDBM50393320
PNG
(CHEMBL2152117)
Show SMILES Cn1ccc2cc(cc(Cl)c12)-c1ccn2c(CC(F)(F)F)cnc2c1C#N
Show InChI InChI=1S/C19H12ClF3N4/c1-26-4-2-11-6-12(7-16(20)17(11)26)14-3-5-27-13(8-19(21,22)23)10-25-18(27)15(14)9-24/h2-7,10H,8H2,1H3
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n/an/an/an/a 120n/an/an/an/a



Janssen-Cilag S.A.

Curated by ChEMBL


Assay Description
Agonist activity at human mGlu 2 expressed in CHO cells assessed as [35S]GTPgammaS binding by liquid scintillation analysis


J Med Chem 55: 2688-701 (2012)


Article DOI: 10.1021/jm201561r
BindingDB Entry DOI: 10.7270/Q2SN0B2B
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2 (mGluR2)


(Homo sapiens (Human))
BDBM50393323
PNG
(CHEMBL2152120)
Show SMILES O[C@H]1CC[C@@H](CC1)Nc1ccc(cc1Cl)-c1ccn2c(CC(F)(F)F)cnc2c1Cl
Show InChI InChI=1S/C21H20Cl2F3N3O/c22-17-9-12(1-6-18(17)28-13-2-4-15(30)5-3-13)16-7-8-29-14(10-21(24,25)26)11-27-20(29)19(16)23/h1,6-9,11,13,15,28,30H,2-5,10H2/t13-,15-
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n/an/an/an/a 150n/an/an/an/a



Janssen-Cilag S.A.

Curated by ChEMBL


Assay Description
Agonist activity at human mGlu 2 expressed in CHO cells assessed as [35S]GTPgammaS binding by liquid scintillation analysis


J Med Chem 55: 2688-701 (2012)


Article DOI: 10.1021/jm201561r
BindingDB Entry DOI: 10.7270/Q2SN0B2B
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2 (mGluR2)


(Homo sapiens (Human))
BDBM50393312
PNG
(CHEMBL2152108)
Show SMILES FC(F)(F)Cc1cnc2c(C#N)c(ccn12)-c1ccc(NC2CCOCC2)c(Cl)c1
Show InChI InChI=1S/C21H18ClF3N4O/c22-18-9-13(1-2-19(18)28-14-4-7-30-8-5-14)16-3-6-29-15(10-21(23,24)25)12-27-20(29)17(16)11-26/h1-3,6,9,12,14,28H,4-5,7-8,10H2
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n/an/an/an/a 710n/an/an/an/a



Janssen-Cilag S.A.

Curated by ChEMBL


Assay Description
Agonist activity at human mGlu 2 expressed in CHO cells assessed as [35S]GTPgammaS binding by liquid scintillation analysis


J Med Chem 55: 2688-701 (2012)


Article DOI: 10.1021/jm201561r
BindingDB Entry DOI: 10.7270/Q2SN0B2B
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2 (mGluR2)


(Homo sapiens (Human))
BDBM50393313
PNG
(CHEMBL2152109)
Show SMILES FC(F)(F)Cc1cnc2c(C#N)c(ccn12)-c1ccc(N2CCOCC2)c(Cl)c1
Show InChI InChI=1S/C20H16ClF3N4O/c21-17-9-13(1-2-18(17)27-5-7-29-8-6-27)15-3-4-28-14(10-20(22,23)24)12-26-19(28)16(15)11-25/h1-4,9,12H,5-8,10H2
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n/an/an/an/a 2.14E+3n/an/an/an/a



Janssen-Cilag S.A.

Curated by ChEMBL


Assay Description
Agonist activity at human mGlu 2 expressed in CHO cells assessed as [35S]GTPgammaS binding by liquid scintillation analysis


J Med Chem 55: 2688-701 (2012)


Article DOI: 10.1021/jm201561r
BindingDB Entry DOI: 10.7270/Q2SN0B2B
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2 (mGluR2)


(Homo sapiens (Human))
BDBM50393316
PNG
(CHEMBL2152113)
Show SMILES FC(F)(F)Cc1cnc2c(C#N)c(ccn12)-c1ccc2n(CC3CC3)ccc2c1
Show InChI InChI=1S/C22H17F3N4/c23-22(24,25)10-17-12-27-21-19(11-26)18(6-8-29(17)21)15-3-4-20-16(9-15)5-7-28(20)13-14-1-2-14/h3-9,12,14H,1-2,10,13H2
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n/an/an/an/a 190n/an/an/an/a



Janssen-Cilag S.A.

Curated by ChEMBL


Assay Description
Agonist activity at human mGlu 2 expressed in CHO cells assessed as [35S]GTPgammaS binding by liquid scintillation analysis


J Med Chem 55: 2688-701 (2012)


Article DOI: 10.1021/jm201561r
BindingDB Entry DOI: 10.7270/Q2SN0B2B
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2 (mGluR2)


(Homo sapiens (Human))
BDBM50393321
PNG
(CHEMBL2152118)
Show SMILES FC(F)(F)Cc1cnc2c(C#N)c(ccn12)-c1cc(Cl)c2n(CC3CC3)ccc2c1
Show InChI InChI=1S/C22H16ClF3N4/c23-19-8-15(7-14-3-5-29(20(14)19)12-13-1-2-13)17-4-6-30-16(9-22(24,25)26)11-28-21(30)18(17)10-27/h3-8,11,13H,1-2,9,12H2
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n/an/an/an/a 110n/an/an/an/a



Janssen-Cilag S.A.

Curated by ChEMBL


Assay Description
Agonist activity at human mGlu 2 expressed in CHO cells assessed as [35S]GTPgammaS binding by liquid scintillation analysis


J Med Chem 55: 2688-701 (2012)


Article DOI: 10.1021/jm201561r
BindingDB Entry DOI: 10.7270/Q2SN0B2B
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2 (mGluR2)


(Homo sapiens (Human))
BDBM50393322
PNG
(CHEMBL2152119)
Show SMILES O[C@H]1CC[C@@H](CC1)n1ccc2cc(ccc12)-c1ccn2c(CC(F)(F)F)cnc2c1Cl
Show InChI InChI=1S/C23H21ClF3N3O/c24-21-19(8-10-30-17(12-23(25,26)27)13-28-22(21)30)14-1-6-20-15(11-14)7-9-29(20)16-2-4-18(31)5-3-16/h1,6-11,13,16,18,31H,2-5,12H2/t16-,18-
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n/an/an/an/a 160n/an/an/an/a



Janssen-Cilag S.A.

Curated by ChEMBL


Assay Description
Agonist activity at human mGlu 2 expressed in CHO cells assessed as [35S]GTPgammaS binding by liquid scintillation analysis


J Med Chem 55: 2688-701 (2012)


Article DOI: 10.1021/jm201561r
BindingDB Entry DOI: 10.7270/Q2SN0B2B
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%