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PubMed code 10465539

Compile data set for download or QSAR
Found 14 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))
BDBM50080064
PNG
(1-[(Z)-2-Cycloheptyloxy-2-(2,6-dichloro-phenyl)-vi...)
Show SMILES Clc1cccc(Cl)c1\C(OC1CCCCCC1)=C\n1cncn1
Show InChI InChI=1S/C17H19Cl2N3O/c18-14-8-5-9-15(19)17(14)16(10-22-12-20-11-21-22)23-13-6-3-1-2-4-7-13/h5,8-13H,1-4,6-7H2/b16-10-
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n/an/a 110n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of 10 uM 1S, 3R-ACPD stimulated GTP gamma 35S binding to rat mGluR2 expressed in CHO cells


Bioorg Med Chem Lett 9: 2173-6 (1999)


Article DOI: 10.1016/s0960-894x(99)00346-7
BindingDB Entry DOI: 10.7270/Q27S7MZC
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2 (mGluR2)


(Homo sapiens (Human))
BDBM50080067
PNG
(1-[(Z)-2-Cycloheptyloxy-2-(2,4-dichloro-phenyl)-vi...)
Show SMILES Clc1ccc(\C(OC2CCCCCC2)=C\n2cncn2)c(Cl)c1
Show InChI InChI=1S/C17H19Cl2N3O/c18-13-7-8-15(16(19)9-13)17(10-22-12-20-11-21-22)23-14-5-3-1-2-4-6-14/h7-12,14H,1-6H2/b17-10-
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n/an/a 470n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of 10 uM 1S, 3R-ACPD stimulated GTP gamma 35S binding to rat mGluR2 expressed in CHO cells


Bioorg Med Chem Lett 9: 2173-6 (1999)


Article DOI: 10.1016/s0960-894x(99)00346-7
BindingDB Entry DOI: 10.7270/Q27S7MZC
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2 (mGluR2)


(Homo sapiens (Human))
BDBM50080064
PNG
(1-[(Z)-2-Cycloheptyloxy-2-(2,6-dichloro-phenyl)-vi...)
Show SMILES Clc1cccc(Cl)c1\C(OC1CCCCCC1)=C\n1cncn1
Show InChI InChI=1S/C17H19Cl2N3O/c18-14-8-5-9-15(19)17(14)16(10-22-12-20-11-21-22)23-13-6-3-1-2-4-7-13/h5,8-13H,1-4,6-7H2/b16-10-
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n/an/a 500n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DCG IV binding on rat mGluR2 transfected cell membranes from CHO cells


Bioorg Med Chem Lett 9: 2173-6 (1999)


Article DOI: 10.1016/s0960-894x(99)00346-7
BindingDB Entry DOI: 10.7270/Q27S7MZC
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2 (mGluR2)


(Homo sapiens (Human))
BDBM50080069
PNG
(1-[(Z)-2-Cyclohexyloxy-2-(2,6-dichloro-phenyl)-vin...)
Show SMILES Clc1cccc(Cl)c1\C(OC1CCCCC1)=C\n1cncn1
Show InChI InChI=1S/C16H17Cl2N3O/c17-13-7-4-8-14(18)16(13)15(9-21-11-19-10-20-21)22-12-5-2-1-3-6-12/h4,7-12H,1-3,5-6H2/b15-9-
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n/an/a 580n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of 10 uM 1S, 3R-ACPD stimulated GTP gamma 35S binding to rat mGluR2 expressed in CHO cells


Bioorg Med Chem Lett 9: 2173-6 (1999)


Article DOI: 10.1016/s0960-894x(99)00346-7
BindingDB Entry DOI: 10.7270/Q27S7MZC
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2 (mGluR2)


(Homo sapiens (Human))
BDBM50080066
PNG
(1-[(Z)-2-Cyclohexyloxy-2-(2,4-dichloro-phenyl)-vin...)
Show SMILES Clc1ccc(\C(OC2CCCCC2)=C\n2cncn2)c(Cl)c1
Show InChI InChI=1S/C16H17Cl2N3O/c17-12-6-7-14(15(18)8-12)16(9-21-11-19-10-20-21)22-13-4-2-1-3-5-13/h6-11,13H,1-5H2/b16-9-
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n/an/a 1.05E+3n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of 10 uM 1S, 3R-ACPD stimulated GTP gamma 35S binding to rat mGluR2 expressed in CHO cells


Bioorg Med Chem Lett 9: 2173-6 (1999)


Article DOI: 10.1016/s0960-894x(99)00346-7
BindingDB Entry DOI: 10.7270/Q27S7MZC
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2 (mGluR2)


(Homo sapiens (Human))
BDBM50080058
PNG
(1-[(Z)-2-Cyclooctyloxy-2-(2,4-dichloro-phenyl)-vin...)
Show SMILES Clc1ccc(\C(OC2CCCCCCC2)=C\n2cncn2)c(Cl)c1
Show InChI InChI=1S/C18H21Cl2N3O/c19-14-8-9-16(17(20)10-14)18(11-23-13-21-12-22-23)24-15-6-4-2-1-3-5-7-15/h8-13,15H,1-7H2/b18-11-
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n/an/a 1.21E+3n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of 10 uM 1S, 3R-ACPD stimulated GTP gamma 35S binding to rat mGluR2 expressed in CHO cells


Bioorg Med Chem Lett 9: 2173-6 (1999)


Article DOI: 10.1016/s0960-894x(99)00346-7
BindingDB Entry DOI: 10.7270/Q27S7MZC
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2 (mGluR2)


(Homo sapiens (Human))
BDBM50080062
PNG
(1-[(Z)-2-Cycloheptyloxy-2-(4-trifluoromethyl-pheny...)
Show SMILES FC(F)(F)c1ccc(cc1)C(\OC1CCCCCC1)=C\n1cncn1
Show InChI InChI=1S/C18H20F3N3O/c19-18(20,21)15-9-7-14(8-10-15)17(11-24-13-22-12-23-24)25-16-5-3-1-2-4-6-16/h7-13,16H,1-6H2/b17-11-
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n/an/a 1.38E+3n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of 10 uM 1S, 3R-ACPD stimulated GTP gamma 35S binding to rat mGluR2 expressed in CHO cells


Bioorg Med Chem Lett 9: 2173-6 (1999)


Article DOI: 10.1016/s0960-894x(99)00346-7
BindingDB Entry DOI: 10.7270/Q27S7MZC
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2 (mGluR2)


(Homo sapiens (Human))
BDBM50080068
PNG
(1-[(Z)-2-Benzyloxy-2-(2,6-dichloro-phenyl)-vinyl]-...)
Show SMILES Clc1cccc(Cl)c1\C(OCc1ccccc1)=C\n1cncn1
Show InChI InChI=1S/C17H13Cl2N3O/c18-14-7-4-8-15(19)17(14)16(9-22-12-20-11-21-22)23-10-13-5-2-1-3-6-13/h1-9,11-12H,10H2/b16-9-
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n/an/a 2.00E+3n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of 10 uM 1S, 3R-ACPD stimulated GTP gamma 35S binding to rat mGluR2 expressed in CHO cells


Bioorg Med Chem Lett 9: 2173-6 (1999)


Article DOI: 10.1016/s0960-894x(99)00346-7
BindingDB Entry DOI: 10.7270/Q27S7MZC
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2 (mGluR2)


(Homo sapiens (Human))
BDBM50080059
PNG
(1-[(Z)-2-Cyclopentyloxy-2-(2,4-dichloro-phenyl)-vi...)
Show SMILES Clc1ccc(\C(OC2CCCC2)=C\n2cncn2)c(Cl)c1
Show InChI InChI=1S/C15H15Cl2N3O/c16-11-5-6-13(14(17)7-11)15(8-20-10-18-9-19-20)21-12-3-1-2-4-12/h5-10,12H,1-4H2/b15-8-
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n/an/a 2.55E+3n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of 10 uM 1S, 3R-ACPD stimulated GTP gamma 35S binding to rat mGluR2 expressed in CHO cells


Bioorg Med Chem Lett 9: 2173-6 (1999)


Article DOI: 10.1016/s0960-894x(99)00346-7
BindingDB Entry DOI: 10.7270/Q27S7MZC
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2 (mGluR2)


(Homo sapiens (Human))
BDBM50080061
PNG
(1-[(Z)-2-Benzyloxy-2-(2,4-dichloro-phenyl)-vinyl]-...)
Show SMILES Clc1ccc(\C(OCc2ccccc2)=C\n2cnnn2)c(Cl)c1
Show InChI InChI=1S/C16H12Cl2N4O/c17-13-6-7-14(15(18)8-13)16(9-22-11-19-20-21-22)23-10-12-4-2-1-3-5-12/h1-9,11H,10H2/b16-9-
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n/an/a 2.68E+3n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of 10 uM 1S, 3R-ACPD stimulated GTP gamma 35S binding to rat mGluR2 expressed in CHO cells


Bioorg Med Chem Lett 9: 2173-6 (1999)


Article DOI: 10.1016/s0960-894x(99)00346-7
BindingDB Entry DOI: 10.7270/Q27S7MZC
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2 (mGluR2)


(Homo sapiens (Human))
BDBM50080060
PNG
(2-[(Z)-2-Butoxy-2-(4-chloro-phenyl)-vinyl]-2H-tetr...)
Show SMILES CCCCO\C(=C/n1ncnn1)c1ccc(Cl)cc1
Show InChI InChI=1S/C13H15ClN4O/c1-2-3-8-19-13(9-18-16-10-15-17-18)11-4-6-12(14)7-5-11/h4-7,9-10H,2-3,8H2,1H3/b13-9-
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n/an/a 3.16E+3n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of 10 uM 1S, 3R-ACPD stimulated GTP gamma 35S binding to rat mGluR2 expressed in CHO cells


Bioorg Med Chem Lett 9: 2173-6 (1999)


Article DOI: 10.1016/s0960-894x(99)00346-7
BindingDB Entry DOI: 10.7270/Q27S7MZC
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2 (mGluR2)


(Homo sapiens (Human))
BDBM50080063
PNG
(1-[(Z)-2-(2,4-Dichloro-phenyl)-2-isopropoxy-vinyl]...)
Show SMILES CC(C)O\C(=C/n1cncn1)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C13H13Cl2N3O/c1-9(2)19-13(6-18-8-16-7-17-18)11-4-3-10(14)5-12(11)15/h3-9H,1-2H3/b13-6-
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n/an/a 1.15E+4n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of 10 uM 1S, 3R-ACPD stimulated GTP gamma 35S binding to rat mGluR2 expressed in CHO cells


Bioorg Med Chem Lett 9: 2173-6 (1999)


Article DOI: 10.1016/s0960-894x(99)00346-7
BindingDB Entry DOI: 10.7270/Q27S7MZC
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2 (mGluR2)


(Homo sapiens (Human))
BDBM50080057
PNG
(1-[(Z)-2-(2,4-Difluoro-phenyl)-2-isopropoxy-vinyl]...)
Show SMILES CC(C)O\C(=C/n1cncn1)c1ccc(F)cc1F
Show InChI InChI=1S/C13H13F2N3O/c1-9(2)19-13(6-18-8-16-7-17-18)11-4-3-10(14)5-12(11)15/h3-9H,1-2H3/b13-6-
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n/an/a 7.50E+4n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of 10 uM 1S, 3R-ACPD stimulated GTP gamma 35S binding to rat mGluR2 expressed in CHO cells


Bioorg Med Chem Lett 9: 2173-6 (1999)


Article DOI: 10.1016/s0960-894x(99)00346-7
BindingDB Entry DOI: 10.7270/Q27S7MZC
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2 (mGluR2)


(Homo sapiens (Human))
BDBM50080065
PNG
(1-[(Z)-2-(2,4-Dimethoxy-phenyl)-2-isopropoxy-vinyl...)
Show SMILES COc1ccc(\C(OC(C)C)=C\n2cncn2)c(OC)c1
Show InChI InChI=1S/C15H19N3O3/c1-11(2)21-15(8-18-10-16-9-17-18)13-6-5-12(19-3)7-14(13)20-4/h5-11H,1-4H3/b15-8-
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n/an/a>1.00E+5n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of 1S, 3R-ACPD (10 microM)-stimulated GTP gamma 35S binding on rat mGluR2 transfected cell membranes from CHO cells


Bioorg Med Chem Lett 9: 2173-6 (1999)


Article DOI: 10.1016/s0960-894x(99)00346-7
BindingDB Entry DOI: 10.7270/Q27S7MZC
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%