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Compile Data Set for Download or QSAR

Found 217 hits with Last Name = 'el kouhen' and Initial = 'of'   
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


(RAT)
BDBM50177063
PNG
(3-(4-Bromo-phenyl)-9-dimethylamino-3H-pyrido[3',2'...)
Show SMILES CN(C)c1ccnc2sc3c(ncn(-c4ccc(Br)cc4)c3=O)c12
Show InChI InChI=1S/C17H13BrN4OS/c1-21(2)12-7-8-19-16-13(12)14-15(24-16)17(23)22(9-20-14)11-5-3-10(18)4-6-11/h3-9H,1-2H3
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1n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]R214127 from mGluR1 in rat cerebellum membranes


J Med Chem 48: 7374-88 (2005)


Article DOI: 10.1021/jm0504407
BindingDB Entry DOI: 10.7270/Q27P8XX0
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50177097
PNG
(9-Dimethylamino-3-p-tolyl-3H-pyrido[3',2':4,5]thie...)
Show SMILES CN(C)c1ccnc2sc3c(ncn(-c4ccc(C)cc4)c3=O)c12
Show InChI InChI=1S/C18H16N4OS/c1-11-4-6-12(7-5-11)22-10-20-15-14-13(21(2)3)8-9-19-17(14)24-16(15)18(22)23/h4-10H,1-3H3
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2n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]R214127 from mGluR1 in rat cerebellum membranes


J Med Chem 48: 7374-88 (2005)


Article DOI: 10.1021/jm0504407
BindingDB Entry DOI: 10.7270/Q27P8XX0
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50177065
PNG
(9-Dimethylamino-3-(2,4-dimethyl-phenyl)-3H-pyrido[...)
Show SMILES CN(C)c1ccnc2sc3c(ncn(-c4ccc(C)cc4C)c3=O)c12
Show InChI InChI=1S/C19H18N4OS/c1-11-5-6-13(12(2)9-11)23-10-21-16-15-14(22(3)4)7-8-20-18(15)25-17(16)19(23)24/h5-10H,1-4H3
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4n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]R214127 from mGluR1 in rat cerebellum membranes


J Med Chem 48: 7374-88 (2005)


Article DOI: 10.1021/jm0504407
BindingDB Entry DOI: 10.7270/Q27P8XX0
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50177076
PNG
(3-(4-Chloro-phenyl)-9-dimethylamino-3H-pyrido[3',2...)
Show SMILES CN(C)c1ccnc2sc3c(ncn(-c4ccc(Cl)cc4)c3=O)c12
Show InChI InChI=1S/C17H13ClN4OS/c1-21(2)12-7-8-19-16-13(12)14-15(24-16)17(23)22(9-20-14)11-5-3-10(18)4-6-11/h3-9H,1-2H3
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4n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]R214127 from mGluR1 in rat cerebellum membranes


J Med Chem 48: 7374-88 (2005)


Article DOI: 10.1021/jm0504407
BindingDB Entry DOI: 10.7270/Q27P8XX0
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50177053
PNG
(9-Dimethylamino-3-(4-ethyl-phenyl)-3H-pyrido[3',2'...)
Show SMILES CCc1ccc(cc1)-n1cnc2c(sc3nccc(N(C)C)c23)c1=O
Show InChI InChI=1S/C19H18N4OS/c1-4-12-5-7-13(8-6-12)23-11-21-16-15-14(22(2)3)9-10-20-18(15)25-17(16)19(23)24/h5-11H,4H2,1-3H3
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5n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]R214127 from mGluR1 in rat cerebellum membranes


J Med Chem 48: 7374-88 (2005)


Article DOI: 10.1021/jm0504407
BindingDB Entry DOI: 10.7270/Q27P8XX0
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50177055
PNG
(9-Dimethylamino-3-(3-ethyl-phenyl)-3H-pyrido[3',2'...)
Show SMILES CCc1cccc(c1)-n1cnc2c(sc3nccc(N(C)C)c23)c1=O
Show InChI InChI=1S/C19H18N4OS/c1-4-12-6-5-7-13(10-12)23-11-21-16-15-14(22(2)3)8-9-20-18(15)25-17(16)19(23)24/h5-11H,4H2,1-3H3
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6n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]R214127 from mGluR1 in rat cerebellum membranes


J Med Chem 48: 7374-88 (2005)


Article DOI: 10.1021/jm0504407
BindingDB Entry DOI: 10.7270/Q27P8XX0
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50177078
PNG
(9-Dimethylamino-3-(4-fluoro-phenyl)-3H-pyrido[3',2...)
Show SMILES CN(C)c1ccnc2sc3c(ncn(-c4ccc(F)cc4)c3=O)c12
Show InChI InChI=1S/C17H13FN4OS/c1-21(2)12-7-8-19-16-13(12)14-15(24-16)17(23)22(9-20-14)11-5-3-10(18)4-6-11/h3-9H,1-2H3
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8n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]R214127 from mGluR1 in rat cerebellum membranes


J Med Chem 48: 7374-88 (2005)


Article DOI: 10.1021/jm0504407
BindingDB Entry DOI: 10.7270/Q27P8XX0
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50177057
PNG
(9-Dimethylamino-3-(4-trifluoromethyl-phenyl)-3H-py...)
Show SMILES CN(C)c1ccnc2sc3c(ncn(-c4ccc(cc4)C(F)(F)F)c3=O)c12
Show InChI InChI=1S/C18H13F3N4OS/c1-24(2)12-7-8-22-16-13(12)14-15(27-16)17(26)25(9-23-14)11-5-3-10(4-6-11)18(19,20)21/h3-9H,1-2H3
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8n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]R214127 from mGluR1 in rat cerebellum membranes


J Med Chem 48: 7374-88 (2005)


Article DOI: 10.1021/jm0504407
BindingDB Entry DOI: 10.7270/Q27P8XX0
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50177081
PNG
(3-(2,4-Dichloro-phenyl)-9-dimethylamino-3H-pyrido[...)
Show SMILES CN(C)c1ccnc2sc3c(ncn(-c4ccc(Cl)cc4Cl)c3=O)c12
Show InChI InChI=1S/C17H12Cl2N4OS/c1-22(2)12-5-6-20-16-13(12)14-15(25-16)17(24)23(8-21-14)11-4-3-9(18)7-10(11)19/h3-8H,1-2H3
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11n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]R214127 from mGluR1 in rat cerebellum membranes


J Med Chem 48: 7374-88 (2005)


Article DOI: 10.1021/jm0504407
BindingDB Entry DOI: 10.7270/Q27P8XX0
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50177082
PNG
(9-dimethylamino-3-(1H-indazol-6-yl)-3H-5-thia-1,3,...)
Show SMILES CN(C)c1ccnc2sc3c(ncn(-c4ccc5cn[nH]c5c4)c3=O)c12
Show InChI InChI=1S/C18H14N6OS/c1-23(2)13-5-6-19-17-14(13)15-16(26-17)18(25)24(9-20-15)11-4-3-10-8-21-22-12(10)7-11/h3-9H,1-2H3,(H,21,22)
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62n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]R214127 from mGluR1 in rat cerebellum membranes


J Med Chem 48: 7374-88 (2005)


Article DOI: 10.1021/jm0504407
BindingDB Entry DOI: 10.7270/Q27P8XX0
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50177064
PNG
(3-Benzyl-9-dimethylamino-3H-pyrido[3',2':4,5]thien...)
Show SMILES CN(C)c1ccnc2sc3c(ncn(Cc4ccccc4)c3=O)c12
Show InChI InChI=1S/C18H16N4OS/c1-21(2)13-8-9-19-17-14(13)15-16(24-17)18(23)22(11-20-15)10-12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3
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87n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]R214127 from mGluR1 in rat cerebellum membranes


J Med Chem 48: 7374-88 (2005)


Article DOI: 10.1021/jm0504407
BindingDB Entry DOI: 10.7270/Q27P8XX0
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50177067
PNG
(9-Dimethylamino-3-(2-hydroxy-phenyl)-3H-pyrido[3',...)
Show SMILES CN(C)c1ccnc2sc3c(ncn(-c4ccccc4O)c3=O)c12
Show InChI InChI=1S/C17H14N4O2S/c1-20(2)11-7-8-18-16-13(11)14-15(24-16)17(23)21(9-19-14)10-5-3-4-6-12(10)22/h3-9,22H,1-2H3
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99n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]R214127 from mGluR1 in rat cerebellum membranes


J Med Chem 48: 7374-88 (2005)


Article DOI: 10.1021/jm0504407
BindingDB Entry DOI: 10.7270/Q27P8XX0
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50177056
PNG
(9-Dimethylamino-3-(2-ethyl-phenyl)-3H-pyrido[3',2'...)
Show SMILES CCc1ccccc1-n1cnc2c(sc3nccc(N(C)C)c23)c1=O
Show InChI InChI=1S/C19H18N4OS/c1-4-12-7-5-6-8-13(12)23-11-21-16-15-14(22(2)3)9-10-20-18(15)25-17(16)19(23)24/h5-11H,4H2,1-3H3
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142n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]R214127 from mGluR1 in rat cerebellum membranes


J Med Chem 48: 7374-88 (2005)


Article DOI: 10.1021/jm0504407
BindingDB Entry DOI: 10.7270/Q27P8XX0
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50177053
PNG
(9-Dimethylamino-3-(4-ethyl-phenyl)-3H-pyrido[3',2'...)
Show SMILES CCc1ccc(cc1)-n1cnc2c(sc3nccc(N(C)C)c23)c1=O
Show InChI InChI=1S/C19H18N4OS/c1-4-12-5-7-13(8-6-12)23-11-21-16-15-14(22(2)3)9-10-20-18(15)25-17(16)19(23)24/h5-11H,4H2,1-3H3
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194n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from rat cortex mGluR5


J Med Chem 48: 7374-88 (2005)


Article DOI: 10.1021/jm0504407
BindingDB Entry DOI: 10.7270/Q27P8XX0
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50177084
PNG
(9-Dimethylamino-3-(6-methoxy-pyridin-3-yl)-3H-pyri...)
Show SMILES COc1ccc(cn1)-n1cnc2c(sc3nccc(N(C)C)c23)c1=O
Show InChI InChI=1S/C17H15N5O2S/c1-21(2)11-6-7-18-16-13(11)14-15(25-16)17(23)22(9-20-14)10-4-5-12(24-3)19-8-10/h4-9H,1-3H3
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261n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]R214127 from mGluR1 in rat cerebellum membranes


J Med Chem 48: 7374-88 (2005)


Article DOI: 10.1021/jm0504407
BindingDB Entry DOI: 10.7270/Q27P8XX0
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50177097
PNG
(9-Dimethylamino-3-p-tolyl-3H-pyrido[3',2':4,5]thie...)
Show SMILES CN(C)c1ccnc2sc3c(ncn(-c4ccc(C)cc4)c3=O)c12
Show InChI InChI=1S/C18H16N4OS/c1-11-4-6-12(7-5-11)22-10-20-15-14-13(21(2)3)8-9-19-17(14)24-16(15)18(22)23/h4-10H,1-3H3
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500n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from rat cortex mGluR5


J Med Chem 48: 7374-88 (2005)


Article DOI: 10.1021/jm0504407
BindingDB Entry DOI: 10.7270/Q27P8XX0
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50177055
PNG
(9-Dimethylamino-3-(3-ethyl-phenyl)-3H-pyrido[3',2'...)
Show SMILES CCc1cccc(c1)-n1cnc2c(sc3nccc(N(C)C)c23)c1=O
Show InChI InChI=1S/C19H18N4OS/c1-4-12-6-5-7-13(10-12)23-11-21-16-15-14(22(2)3)8-9-20-18(15)25-17(16)19(23)24/h5-11H,4H2,1-3H3
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613n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from rat cortex mGluR5


J Med Chem 48: 7374-88 (2005)


Article DOI: 10.1021/jm0504407
BindingDB Entry DOI: 10.7270/Q27P8XX0
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50177076
PNG
(3-(4-Chloro-phenyl)-9-dimethylamino-3H-pyrido[3',2...)
Show SMILES CN(C)c1ccnc2sc3c(ncn(-c4ccc(Cl)cc4)c3=O)c12
Show InChI InChI=1S/C17H13ClN4OS/c1-21(2)12-7-8-19-16-13(12)14-15(24-16)17(23)22(9-20-14)11-5-3-10(18)4-6-11/h3-9H,1-2H3
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1.03E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from rat cortex mGluR5


J Med Chem 48: 7374-88 (2005)


Article DOI: 10.1021/jm0504407
BindingDB Entry DOI: 10.7270/Q27P8XX0
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50177082
PNG
(9-dimethylamino-3-(1H-indazol-6-yl)-3H-5-thia-1,3,...)
Show SMILES CN(C)c1ccnc2sc3c(ncn(-c4ccc5cn[nH]c5c4)c3=O)c12
Show InChI InChI=1S/C18H14N6OS/c1-23(2)13-5-6-19-17-14(13)15-16(26-17)18(25)24(9-20-15)11-4-3-10-8-21-22-12(10)7-11/h3-9H,1-2H3,(H,21,22)
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1.18E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from rat cortex mGluR5


J Med Chem 48: 7374-88 (2005)


Article DOI: 10.1021/jm0504407
BindingDB Entry DOI: 10.7270/Q27P8XX0
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50177081
PNG
(3-(2,4-Dichloro-phenyl)-9-dimethylamino-3H-pyrido[...)
Show SMILES CN(C)c1ccnc2sc3c(ncn(-c4ccc(Cl)cc4Cl)c3=O)c12
Show InChI InChI=1S/C17H12Cl2N4OS/c1-22(2)12-5-6-20-16-13(12)14-15(25-16)17(24)23(8-21-14)11-4-3-9(18)7-10(11)19/h3-8H,1-2H3
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2.30E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from rat cortex mGluR5


J Med Chem 48: 7374-88 (2005)


Article DOI: 10.1021/jm0504407
BindingDB Entry DOI: 10.7270/Q27P8XX0
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50177065
PNG
(9-Dimethylamino-3-(2,4-dimethyl-phenyl)-3H-pyrido[...)
Show SMILES CN(C)c1ccnc2sc3c(ncn(-c4ccc(C)cc4C)c3=O)c12
Show InChI InChI=1S/C19H18N4OS/c1-11-5-6-13(12(2)9-11)23-10-21-16-15-14(22(3)4)7-8-20-18(15)25-17(16)19(23)24/h5-10H,1-4H3
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2.44E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from rat cortex mGluR5


J Med Chem 48: 7374-88 (2005)


Article DOI: 10.1021/jm0504407
BindingDB Entry DOI: 10.7270/Q27P8XX0
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50177064
PNG
(3-Benzyl-9-dimethylamino-3H-pyrido[3',2':4,5]thien...)
Show SMILES CN(C)c1ccnc2sc3c(ncn(Cc4ccccc4)c3=O)c12
Show InChI InChI=1S/C18H16N4OS/c1-21(2)13-8-9-19-17-14(13)15-16(24-17)18(23)22(11-20-15)10-12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3
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>1.00E+5n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from rat cortex mGluR5


J Med Chem 48: 7374-88 (2005)


Article DOI: 10.1021/jm0504407
BindingDB Entry DOI: 10.7270/Q27P8XX0
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50177084
PNG
(9-Dimethylamino-3-(6-methoxy-pyridin-3-yl)-3H-pyri...)
Show SMILES COc1ccc(cn1)-n1cnc2c(sc3nccc(N(C)C)c23)c1=O
Show InChI InChI=1S/C17H15N5O2S/c1-21(2)11-6-7-18-16-13(11)14-15(25-16)17(23)22(9-20-14)10-4-5-12(24-3)19-8-10/h4-9H,1-3H3
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>1.00E+5n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from rat cortex mGluR5


J Med Chem 48: 7374-88 (2005)


Article DOI: 10.1021/jm0504407
BindingDB Entry DOI: 10.7270/Q27P8XX0
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50177063
PNG
(3-(4-Bromo-phenyl)-9-dimethylamino-3H-pyrido[3',2'...)
Show SMILES CN(C)c1ccnc2sc3c(ncn(-c4ccc(Br)cc4)c3=O)c12
Show InChI InChI=1S/C17H13BrN4OS/c1-21(2)12-7-8-19-16-13(12)14-15(24-16)17(23)22(9-20-14)11-5-3-10(18)4-6-11/h3-9H,1-2H3
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>1.00E+5n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from rat cortex mGluR5


J Med Chem 48: 7374-88 (2005)


Article DOI: 10.1021/jm0504407
BindingDB Entry DOI: 10.7270/Q27P8XX0
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50177057
PNG
(9-Dimethylamino-3-(4-trifluoromethyl-phenyl)-3H-py...)
Show SMILES CN(C)c1ccnc2sc3c(ncn(-c4ccc(cc4)C(F)(F)F)c3=O)c12
Show InChI InChI=1S/C18H13F3N4OS/c1-24(2)12-7-8-22-16-13(12)14-15(27-16)17(26)25(9-23-14)11-5-3-10(4-6-11)18(19,20)21/h3-9H,1-2H3
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>1.00E+5n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from rat cortex mGluR5


J Med Chem 48: 7374-88 (2005)


Article DOI: 10.1021/jm0504407
BindingDB Entry DOI: 10.7270/Q27P8XX0
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50177067
PNG
(9-Dimethylamino-3-(2-hydroxy-phenyl)-3H-pyrido[3',...)
Show SMILES CN(C)c1ccnc2sc3c(ncn(-c4ccccc4O)c3=O)c12
Show InChI InChI=1S/C17H14N4O2S/c1-20(2)11-7-8-18-16-13(11)14-15(24-16)17(23)21(9-19-14)10-5-3-4-6-12(10)22/h3-9,22H,1-2H3
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>1.00E+5n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from rat cortex mGluR5


J Med Chem 48: 7374-88 (2005)


Article DOI: 10.1021/jm0504407
BindingDB Entry DOI: 10.7270/Q27P8XX0
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50177078
PNG
(9-Dimethylamino-3-(4-fluoro-phenyl)-3H-pyrido[3',2...)
Show SMILES CN(C)c1ccnc2sc3c(ncn(-c4ccc(F)cc4)c3=O)c12
Show InChI InChI=1S/C17H13FN4OS/c1-21(2)12-7-8-19-16-13(12)14-15(24-16)17(23)22(9-20-14)11-5-3-10(18)4-6-11/h3-9H,1-2H3
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>1.00E+5n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from rat cortex mGluR5


J Med Chem 48: 7374-88 (2005)


Article DOI: 10.1021/jm0504407
BindingDB Entry DOI: 10.7270/Q27P8XX0
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50177056
PNG
(9-Dimethylamino-3-(2-ethyl-phenyl)-3H-pyrido[3',2'...)
Show SMILES CCc1ccccc1-n1cnc2c(sc3nccc(N(C)C)c23)c1=O
Show InChI InChI=1S/C19H18N4OS/c1-4-12-7-5-6-8-13(12)23-11-21-16-15-14(22(2)3)9-10-20-18(15)25-17(16)19(23)24/h5-11H,4H2,1-3H3
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>1.00E+5n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from rat cortex mGluR5


J Med Chem 48: 7374-88 (2005)


Article DOI: 10.1021/jm0504407
BindingDB Entry DOI: 10.7270/Q27P8XX0
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50177080
PNG
(3-azepan-1-yl-9-dimethylamino-3H-pyrido[3',2':4,5]...)
Show SMILES CN(C)c1ccnc2sc3c(ncn(N4CCCCCC4)c3=O)c12
Show InChI InChI=1S/C17H21N5OS/c1-20(2)12-7-8-18-16-13(12)14-15(24-16)17(23)22(11-19-14)21-9-5-3-4-6-10-21/h7-8,11H,3-6,9-10H2,1-2H3
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n/an/a 1n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR1 expressed in 1321N1 cells


Bioorg Med Chem Lett 16: 4936-40 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.053
BindingDB Entry DOI: 10.7270/Q2C24W2W
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50177100
PNG
(3-Cycloheptyl-9-dimethylamino-3H-pyrido[3',2':4,5]...)
Show SMILES CN(C)c1ccnc2sc3c(ncn(C4CCCCCC4)c3=O)c12
Show InChI InChI=1S/C18H22N4OS/c1-21(2)13-9-10-19-17-14(13)15-16(24-17)18(23)22(11-20-15)12-7-5-3-4-6-8-12/h9-12H,3-8H2,1-2H3
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n/an/a 1n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human mGluR1 expressed in 1321N1 cells assessed as effect on L-glutamate-induced calcium mobilization


J Med Chem 48: 7374-88 (2005)


Article DOI: 10.1021/jm0504407
BindingDB Entry DOI: 10.7270/Q27P8XX0
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM26732
PNG
(Benzothiazole-based analogue, 1 | N-[4-(4-methoxy-...)
Show SMILES COc1cccc2sc(nc12)-c1ccc(NC(=O)C2CCN(CC2)S(=O)(=O)c2cccs2)cc1
Show InChI InChI=1S/C24H23N3O4S3/c1-31-19-4-2-5-20-22(19)26-24(33-20)17-7-9-18(10-8-17)25-23(28)16-11-13-27(14-12-16)34(29,30)21-6-3-15-32-21/h2-10,15-16H,11-14H2,1H3,(H,25,28)
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n/an/a 1.70n/an/an/an/a8.022



Abbott Laboratories



Assay Description
[3H]anandamide was incubated with membranes to produce radiolabeled ethanolamine and unlabeled arachidonic acid. Charcoal selectively binds anandamid...


J Med Chem 52: 170-80 (2009)


Article DOI: 10.1021/jm801042a
BindingDB Entry DOI: 10.7270/Q24B2ZMQ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50177053
PNG
(9-Dimethylamino-3-(4-ethyl-phenyl)-3H-pyrido[3',2'...)
Show SMILES CCc1ccc(cc1)-n1cnc2c(sc3nccc(N(C)C)c23)c1=O
Show InChI InChI=1S/C19H18N4OS/c1-4-12-5-7-13(8-6-12)23-11-21-16-15-14(22(2)3)9-10-20-18(15)25-17(16)19(23)24/h5-11H,4H2,1-3H3
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n/an/a 3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human mGluR1 expressed in 1321N1 cells assessed as effect on L-glutamate-induced calcium mobilization


J Med Chem 48: 7374-88 (2005)


Article DOI: 10.1021/jm0504407
BindingDB Entry DOI: 10.7270/Q27P8XX0
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50177053
PNG
(9-Dimethylamino-3-(4-ethyl-phenyl)-3H-pyrido[3',2'...)
Show SMILES CCc1ccc(cc1)-n1cnc2c(sc3nccc(N(C)C)c23)c1=O
Show InChI InChI=1S/C19H18N4OS/c1-4-12-5-7-13(8-6-12)23-11-21-16-15-14(22(2)3)9-10-20-18(15)25-17(16)19(23)24/h5-11H,4H2,1-3H3
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n/an/a 3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human mGluR1 expressed in 1321N1 cells


Bioorg Med Chem Lett 16: 4936-40 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.053
BindingDB Entry DOI: 10.7270/Q2C24W2W
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50177063
PNG
(3-(4-Bromo-phenyl)-9-dimethylamino-3H-pyrido[3',2'...)
Show SMILES CN(C)c1ccnc2sc3c(ncn(-c4ccc(Br)cc4)c3=O)c12
Show InChI InChI=1S/C17H13BrN4OS/c1-21(2)12-7-8-19-16-13(12)14-15(24-16)17(23)22(9-20-14)11-5-3-10(18)4-6-11/h3-9H,1-2H3
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n/an/a 4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human mGluR1 expressed in 1321N1 cells assessed as effect on L-glutamate-induced calcium mobilization


J Med Chem 48: 7374-88 (2005)


Article DOI: 10.1021/jm0504407
BindingDB Entry DOI: 10.7270/Q27P8XX0
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50177053
PNG
(9-Dimethylamino-3-(4-ethyl-phenyl)-3H-pyrido[3',2'...)
Show SMILES CCc1ccc(cc1)-n1cnc2c(sc3nccc(N(C)C)c23)c1=O
Show InChI InChI=1S/C19H18N4OS/c1-4-12-5-7-13(8-6-12)23-11-21-16-15-14(22(2)3)9-10-20-18(15)25-17(16)19(23)24/h5-11H,4H2,1-3H3
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n/an/a 5n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR1 expressed in 1321N1 cells


Bioorg Med Chem Lett 16: 4936-40 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.053
BindingDB Entry DOI: 10.7270/Q2C24W2W
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50177097
PNG
(9-Dimethylamino-3-p-tolyl-3H-pyrido[3',2':4,5]thie...)
Show SMILES CN(C)c1ccnc2sc3c(ncn(-c4ccc(C)cc4)c3=O)c12
Show InChI InChI=1S/C18H16N4OS/c1-11-4-6-12(7-5-11)22-10-20-15-14-13(21(2)3)8-9-19-17(14)24-16(15)18(22)23/h4-10H,1-3H3
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n/an/a 5n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human mGluR1 expressed in 1321N1 cells assessed as effect on L-glutamate-induced calcium mobilization


J Med Chem 48: 7374-88 (2005)


Article DOI: 10.1021/jm0504407
BindingDB Entry DOI: 10.7270/Q27P8XX0
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50177085
PNG
(3-Cyclopentyl-9-dimethylamino-3H-pyrido[3',2':4,5]...)
Show SMILES CN(C)c1ccnc2sc3c(ncn(C4CCCC4)c3=O)c12
Show InChI InChI=1S/C16H18N4OS/c1-19(2)11-7-8-17-15-12(11)13-14(22-15)16(21)20(9-18-13)10-5-3-4-6-10/h7-10H,3-6H2,1-2H3
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n/an/a 5n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human mGluR1 expressed in 1321N1 cells assessed as effect on L-glutamate-induced calcium mobilization


J Med Chem 48: 7374-88 (2005)


Article DOI: 10.1021/jm0504407
BindingDB Entry DOI: 10.7270/Q27P8XX0
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50177055
PNG
(9-Dimethylamino-3-(3-ethyl-phenyl)-3H-pyrido[3',2'...)
Show SMILES CCc1cccc(c1)-n1cnc2c(sc3nccc(N(C)C)c23)c1=O
Show InChI InChI=1S/C19H18N4OS/c1-4-12-6-5-7-13(10-12)23-11-21-16-15-14(22(2)3)8-9-20-18(15)25-17(16)19(23)24/h5-11H,4H2,1-3H3
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n/an/a 9n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human mGluR1 expressed in 1321N1 cells assessed as effect on L-glutamate-induced calcium mobilization


J Med Chem 48: 7374-88 (2005)


Article DOI: 10.1021/jm0504407
BindingDB Entry DOI: 10.7270/Q27P8XX0
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50177080
PNG
(3-azepan-1-yl-9-dimethylamino-3H-pyrido[3',2':4,5]...)
Show SMILES CN(C)c1ccnc2sc3c(ncn(N4CCCCCC4)c3=O)c12
Show InChI InChI=1S/C17H21N5OS/c1-20(2)12-7-8-18-16-13(12)14-15(24-16)17(23)22(11-19-14)21-9-5-3-4-6-10-21/h7-8,11H,3-6,9-10H2,1-2H3
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n/an/a 10n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human mGluR1 expressed in 1321N1 cells assessed as effect on L-glutamate-induced calcium mobilization


J Med Chem 48: 7374-88 (2005)


Article DOI: 10.1021/jm0504407
BindingDB Entry DOI: 10.7270/Q27P8XX0
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50177059
PNG
(3-Cyclooctyl-9-dimethylamino-3H-pyrido[3',2':4,5]t...)
Show SMILES CN(C)c1ccnc2sc3c(ncn(C4CCCCCCC4)c3=O)c12
Show InChI InChI=1S/C19H24N4OS/c1-22(2)14-10-11-20-18-15(14)16-17(25-18)19(24)23(12-21-16)13-8-6-4-3-5-7-9-13/h10-13H,3-9H2,1-2H3
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n/an/a 13n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human mGluR1 expressed in 1321N1 cells assessed as effect on L-glutamate-induced calcium mobilization


J Med Chem 48: 7374-88 (2005)


Article DOI: 10.1021/jm0504407
BindingDB Entry DOI: 10.7270/Q27P8XX0
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM26712
PNG
(1-(benzenesulfonyl)-N-[4-(6-methyl-1,3-benzothiazo...)
Show SMILES Cc1ccc2nc(sc2c1)-c1ccc(NC(=O)C2CCN(CC2)S(=O)(=O)c2ccccc2)cc1
Show InChI InChI=1S/C26H25N3O3S2/c1-18-7-12-23-24(17-18)33-26(28-23)20-8-10-21(11-9-20)27-25(30)19-13-15-29(16-14-19)34(31,32)22-5-3-2-4-6-22/h2-12,17,19H,13-16H2,1H3,(H,27,30)
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Abbott Laboratories



Assay Description
[3H]anandamide was incubated with membranes to produce radiolabeled ethanolamine and unlabeled arachidonic acid. Charcoal selectively binds anandamid...


J Med Chem 52: 170-80 (2009)


Article DOI: 10.1021/jm801042a
BindingDB Entry DOI: 10.7270/Q24B2ZMQ
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM26729
PNG
(N-[4-(6-chloro-1,3-benzothiazol-2-yl)phenyl]-1-(th...)
Show SMILES Clc1ccc2nc(sc2c1)-c1ccc(NC(=O)C2CCN(CC2)S(=O)(=O)c2cccs2)cc1
Show InChI InChI=1S/C23H20ClN3O3S3/c24-17-5-8-19-20(14-17)32-23(26-19)16-3-6-18(7-4-16)25-22(28)15-9-11-27(12-10-15)33(29,30)21-2-1-13-31-21/h1-8,13-15H,9-12H2,(H,25,28)
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n/an/a 14n/an/an/an/a8.022



Abbott Laboratories



Assay Description
[3H]anandamide was incubated with membranes to produce radiolabeled ethanolamine and unlabeled arachidonic acid. Charcoal selectively binds anandamid...


J Med Chem 52: 170-80 (2009)


Article DOI: 10.1021/jm801042a
BindingDB Entry DOI: 10.7270/Q24B2ZMQ
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM26731
PNG
(N-[4-(4-methyl-1,3-benzothiazol-2-yl)phenyl]-1-(th...)
Show SMILES Cc1cccc2sc(nc12)-c1ccc(NC(=O)C2CCN(CC2)S(=O)(=O)c2cccs2)cc1
Show InChI InChI=1S/C24H23N3O3S3/c1-16-4-2-5-20-22(16)26-24(32-20)18-7-9-19(10-8-18)25-23(28)17-11-13-27(14-12-17)33(29,30)21-6-3-15-31-21/h2-10,15,17H,11-14H2,1H3,(H,25,28)
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n/an/a 14n/an/an/an/a8.022



Abbott Laboratories



Assay Description
[3H]anandamide was incubated with membranes to produce radiolabeled ethanolamine and unlabeled arachidonic acid. Charcoal selectively binds anandamid...


J Med Chem 52: 170-80 (2009)


Article DOI: 10.1021/jm801042a
BindingDB Entry DOI: 10.7270/Q24B2ZMQ
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM26728
PNG
(N-[4-(1,3-benzothiazol-2-yl)phenyl]-1-(thiophene-2...)
Show SMILES O=C(Nc1ccc(cc1)-c1nc2ccccc2s1)C1CCN(CC1)S(=O)(=O)c1cccs1
Show InChI InChI=1S/C23H21N3O3S3/c27-22(16-11-13-26(14-12-16)32(28,29)21-6-3-15-30-21)24-18-9-7-17(8-10-18)23-25-19-4-1-2-5-20(19)31-23/h1-10,15-16H,11-14H2,(H,24,27)
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n/an/a 15n/an/an/an/a8.022



Abbott Laboratories



Assay Description
[3H]anandamide was incubated with membranes to produce radiolabeled ethanolamine and unlabeled arachidonic acid. Charcoal selectively binds anandamid...


J Med Chem 52: 170-80 (2009)


Article DOI: 10.1021/jm801042a
BindingDB Entry DOI: 10.7270/Q24B2ZMQ
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM26722
PNG
(4-(6-methyl-1,3-benzothiazol-2-yl)-N-{[1-(thiophen...)
Show SMILES Cc1ccc2nc(sc2c1)-c1ccc(NCC2CCN(CC2)S(=O)(=O)c2cccs2)cc1
Show InChI InChI=1S/C24H25N3O2S3/c1-17-4-9-21-22(15-17)31-24(26-21)19-5-7-20(8-6-19)25-16-18-10-12-27(13-11-18)32(28,29)23-3-2-14-30-23/h2-9,14-15,18,25H,10-13,16H2,1H3
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n/an/a 16n/an/an/an/a8.022



Abbott Laboratories



Assay Description
[3H]anandamide was incubated with membranes to produce radiolabeled ethanolamine and unlabeled arachidonic acid. Charcoal selectively binds anandamid...


J Med Chem 52: 170-80 (2009)


Article DOI: 10.1021/jm801042a
BindingDB Entry DOI: 10.7270/Q24B2ZMQ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50177076
PNG
(3-(4-Chloro-phenyl)-9-dimethylamino-3H-pyrido[3',2...)
Show SMILES CN(C)c1ccnc2sc3c(ncn(-c4ccc(Cl)cc4)c3=O)c12
Show InChI InChI=1S/C17H13ClN4OS/c1-21(2)12-7-8-19-16-13(12)14-15(24-16)17(23)22(9-20-14)11-5-3-10(18)4-6-11/h3-9H,1-2H3
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n/an/a 16n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human mGluR1 expressed in 1321N1 cells assessed as effect on L-glutamate-induced calcium mobilization


J Med Chem 48: 7374-88 (2005)


Article DOI: 10.1021/jm0504407
BindingDB Entry DOI: 10.7270/Q27P8XX0
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50177065
PNG
(9-Dimethylamino-3-(2,4-dimethyl-phenyl)-3H-pyrido[...)
Show SMILES CN(C)c1ccnc2sc3c(ncn(-c4ccc(C)cc4C)c3=O)c12
Show InChI InChI=1S/C19H18N4OS/c1-11-5-6-13(12(2)9-11)23-10-21-16-15-14(22(3)4)7-8-20-18(15)25-17(16)19(23)24/h5-10H,1-4H3
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n/an/a 17n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human mGluR1 expressed in 1321N1 cells assessed as effect on L-glutamate-induced calcium mobilization


J Med Chem 48: 7374-88 (2005)


Article DOI: 10.1021/jm0504407
BindingDB Entry DOI: 10.7270/Q27P8XX0
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM26708
PNG
(N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-1-(th...)
Show SMILES Cc1ccc2nc(sc2c1)-c1ccc(NC(=O)C2CCN(CC2)S(=O)(=O)c2cccs2)cc1
Show InChI InChI=1S/C24H23N3O3S3/c1-16-4-9-20-21(15-16)32-24(26-20)18-5-7-19(8-6-18)25-23(28)17-10-12-27(13-11-17)33(29,30)22-3-2-14-31-22/h2-9,14-15,17H,10-13H2,1H3,(H,25,28)
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n/an/a 18n/an/an/an/a8.022



Abbott Laboratories



Assay Description
[3H]anandamide was incubated with membranes to produce radiolabeled ethanolamine and unlabeled arachidonic acid. Charcoal selectively binds anandamid...


J Med Chem 52: 170-80 (2009)


Article DOI: 10.1021/jm801042a
BindingDB Entry DOI: 10.7270/Q24B2ZMQ
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM26733
PNG
(N-{4-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]phenyl}...)
Show SMILES COc1cccc(c1)-c1csc(n1)-c1ccc(NC(=O)C2CCN(CC2)S(=O)(=O)c2cccs2)cc1
Show InChI InChI=1S/C26H25N3O4S3/c1-33-22-5-2-4-20(16-22)23-17-35-26(28-23)19-7-9-21(10-8-19)27-25(30)18-11-13-29(14-12-18)36(31,32)24-6-3-15-34-24/h2-10,15-18H,11-14H2,1H3,(H,27,30)
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n/an/a 19n/an/an/an/a8.022



Abbott Laboratories



Assay Description
[3H]anandamide was incubated with membranes to produce radiolabeled ethanolamine and unlabeled arachidonic acid. Charcoal selectively binds anandamid...


J Med Chem 52: 170-80 (2009)


Article DOI: 10.1021/jm801042a
BindingDB Entry DOI: 10.7270/Q24B2ZMQ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50177096
PNG
(3-cycloheptyl -9-dimethylamino-3H-5-thia-1,2,3,6-t...)
Show SMILES CN(C)c1ccnc2sc3c(nnn(C4CCCCCC4)c3=O)c12
Show InChI InChI=1S/C17H21N5OS/c1-21(2)12-9-10-18-16-13(12)14-15(24-16)17(23)22(20-19-14)11-7-5-3-4-6-8-11/h9-11H,3-8H2,1-2H3
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n/an/a 19n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human mGluR1 expressed in 1321N1 cells assessed as effect on L-glutamate-induced calcium mobilization


J Med Chem 48: 7374-88 (2005)


Article DOI: 10.1021/jm0504407
BindingDB Entry DOI: 10.7270/Q27P8XX0
More data for this
Ligand-Target Pair
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