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Compile Data Set for Download or QSAR

Found 279 hits with Last Name = 'kingston' and Initial = 'ae'   
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 3


(Homo sapiens (Human))
BDBM50138784
PNG
((1R,2S,3R)-2-((S)-Amino-carboxy-methyl)-3-hydroxy-...)
Show SMILES N[C@@H]([C@H]1[C@@H](O)[C@@H]1C(O)=O)C(O)=O
Show InChI InChI=1S/C6H9NO5/c7-3(6(11)12)1-2(4(1)8)5(9)10/h1-4,8H,7H2,(H,9,10)(H,11,12)/t1-,2+,3-,4+/m0/s1
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3n/an/an/an/an/an/an/an/a



Lilly, SA

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards metabotropic glutamate receptor 3 was determined


J Med Chem 47: 456-66 (2004)


Article DOI: 10.1021/jm030967o
BindingDB Entry DOI: 10.7270/Q2K936Z5
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50138784
PNG
((1R,2S,3R)-2-((S)-Amino-carboxy-methyl)-3-hydroxy-...)
Show SMILES N[C@@H]([C@H]1[C@@H](O)[C@@H]1C(O)=O)C(O)=O
Show InChI InChI=1S/C6H9NO5/c7-3(6(11)12)1-2(4(1)8)5(9)10/h1-4,8H,7H2,(H,9,10)(H,11,12)/t1-,2+,3-,4+/m0/s1
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23n/an/an/an/an/an/an/an/a



Lilly, SA

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards metabotropic glutamate receptor 2 was determined


J Med Chem 47: 456-66 (2004)


Article DOI: 10.1021/jm030967o
BindingDB Entry DOI: 10.7270/Q2K936Z5
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 3


(Homo sapiens (Human))
BDBM50138785
PNG
((1S,2R,3S)-2-((R)-Amino-carboxy-methyl)-3-hydroxy-...)
Show SMILES N[C@H]([C@@H]1[C@H](O)[C@H]1C(O)=O)C(O)=O
Show InChI InChI=1S/C6H9NO5/c7-3(6(11)12)1-2(4(1)8)5(9)10/h1-4,8H,7H2,(H,9,10)(H,11,12)/t1-,2+,3-,4+/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Lilly, SA

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards Metabotropic glutamate receptor 3 was determined


J Med Chem 47: 456-66 (2004)


Article DOI: 10.1021/jm030967o
BindingDB Entry DOI: 10.7270/Q2K936Z5
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50138785
PNG
((1S,2R,3S)-2-((R)-Amino-carboxy-methyl)-3-hydroxy-...)
Show SMILES N[C@H]([C@@H]1[C@H](O)[C@H]1C(O)=O)C(O)=O
Show InChI InChI=1S/C6H9NO5/c7-3(6(11)12)1-2(4(1)8)5(9)10/h1-4,8H,7H2,(H,9,10)(H,11,12)/t1-,2+,3-,4+/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Lilly, SA

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards metabotropic glutamate receptor 2 was determined


J Med Chem 47: 456-66 (2004)


Article DOI: 10.1021/jm030967o
BindingDB Entry DOI: 10.7270/Q2K936Z5
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50163592
PNG
((3,4-Dihydro-2H-1-oxa-9-aza-anthracen-6-yl)-(4-met...)
Show SMILES CO[C@H]1CC[C@H](CC1)C(=O)c1ccc2nc3OCCCc3cc2c1
Show InChI InChI=1S/C20H23NO3/c1-23-17-7-4-13(5-8-17)19(22)14-6-9-18-16(11-14)12-15-3-2-10-24-20(15)21-18/h6,9,11-13,17H,2-5,7-8,10H2,1H3/t13-,17+
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n/an/a 1.21n/an/an/an/an/an/a



Lilly Research Labs

Curated by ChEMBL


Assay Description
Antagonist activity at human mGlu1 receptor


J Med Chem 50: 2563-8 (2007)


Article DOI: 10.1021/jm060950g
BindingDB Entry DOI: 10.7270/Q2XS5W7Q
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



Lilly Research Labs

Curated by ChEMBL


Assay Description
Antagonist activity at mGlu1 receptor


J Med Chem 50: 2563-8 (2007)


Article DOI: 10.1021/jm060950g
BindingDB Entry DOI: 10.7270/Q2XS5W7Q
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50212328
PNG
(4-(1-(2-fluoropyridin-3-yl)-5-methyl-1H-1,2,3-tria...)
Show SMILES CC(C)N(C)C(=O)C1CCC(=CC1)c1nnn(c1C)-c1cccnc1F
Show InChI InChI=1/C19H24FN5O/c1-12(2)24(4)19(26)15-9-7-14(8-10-15)17-13(3)25(23-22-17)16-6-5-11-21-18(16)20/h5-7,11-12,15H,8-10H2,1-4H3
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n/an/a 6n/an/an/an/an/an/a



Lilly Research Labs

Curated by ChEMBL


Assay Description
Antagonist activity at mGlu1 receptor


J Med Chem 50: 2563-8 (2007)


Article DOI: 10.1021/jm060950g
BindingDB Entry DOI: 10.7270/Q2XS5W7Q
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50212324
PNG
(6-amino-N-cyclohexyl-N,3-dimethylthiazolo[3,2-alph...)
Show SMILES Cc1c(sc2nc3ccc(N)cc3n12)C(=O)NC1CCCCC1
Show InChI InChI=1S/C17H20N4OS/c1-10-15(16(22)19-12-5-3-2-4-6-12)23-17-20-13-8-7-11(18)9-14(13)21(10)17/h7-9,12H,2-6,18H2,1H3,(H,19,22)
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n/an/a 16n/an/an/an/an/an/a



Lilly Research Labs

Curated by ChEMBL


Assay Description
Antagonist activity at mGlu1 receptor


J Med Chem 50: 2563-8 (2007)


Article DOI: 10.1021/jm060950g
BindingDB Entry DOI: 10.7270/Q2XS5W7Q
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 3 (mGlu3)


(Rattus norvegicus (Rat))
BDBM50062522
PNG
((1S,2S)-2-((S)-1-amino-1-carboxy-2-(9H-xanthen-9-y...)
Show SMILES N[C@@](CC1c2ccccc2Oc2ccccc12)([C@H]1C[C@@H]1C(O)=O)C(O)=O
Show InChI InChI=1S/C20H19NO5/c21-20(19(24)25,15-9-13(15)18(22)23)10-14-11-5-1-3-7-16(11)26-17-8-4-2-6-12(14)17/h1-8,13-15H,9-10,21H2,(H,22,23)(H,24,25)/t13-,15-,20-/m0/s1
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n/an/a 16n/an/an/an/an/an/a



Centro de Investigación Lilly, SA

Curated by ChEMBL


Assay Description
Antagonistic activity against metabotropic glutamate receptor 3 (mGluR3) was evaluated


Bioorg Med Chem Lett 8: 2849-54 (1999)


Article DOI: 10.1016/s0960-894x(98)00510-1
BindingDB Entry DOI: 10.7270/Q2Z0379C
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Metabotropic glutamate receptor 3 (mGlu3)


(Rattus norvegicus (Rat))
BDBM50072177
PNG
((1S,2S,3S)-2-[1-Amino-1-carboxy-2-(9H-xanthen-9-yl...)
Show SMILES CCCC[C@@H]1[C@@H]([C@H]1C(N)(CC1c2ccccc2Oc2ccccc12)C(O)=O)C(O)=O
Show InChI InChI=1S/C24H27NO5/c1-2-3-8-16-20(22(26)27)21(16)24(25,23(28)29)13-17-14-9-4-6-11-18(14)30-19-12-7-5-10-15(17)19/h4-7,9-12,16-17,20-21H,2-3,8,13,25H2,1H3,(H,26,27)(H,28,29)/t16-,20+,21+,24?/m1/s1
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n/an/a 29n/an/an/an/an/an/a



Centro de Investigación Lilly, SA

Curated by ChEMBL


Assay Description
Antagonistic activity against metabotropic glutamate receptor 3 (mGluR3) was evaluated


Bioorg Med Chem Lett 8: 2849-54 (1999)


Article DOI: 10.1016/s0960-894x(98)00510-1
BindingDB Entry DOI: 10.7270/Q2Z0379C
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 3 (mGlu3)


(Rattus norvegicus (Rat))
BDBM50072170
PNG
((1S,2S,3S)-2-[1-Amino-1-carboxy-2-(9H-xanthen-9-yl...)
Show SMILES CC(C)C[C@@H]1[C@@H]([C@H]1C(N)(CC1c2ccccc2Oc2ccccc12)C(O)=O)C(O)=O
Show InChI InChI=1S/C24H27NO5/c1-13(2)11-16-20(22(26)27)21(16)24(25,23(28)29)12-17-14-7-3-5-9-18(14)30-19-10-6-4-8-15(17)19/h3-10,13,16-17,20-21H,11-12,25H2,1-2H3,(H,26,27)(H,28,29)/t16-,20+,21+,24?/m1/s1
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n/an/a 40n/an/an/an/an/an/a



Centro de Investigación Lilly, SA

Curated by ChEMBL


Assay Description
Antagonistic activity against metabotropic glutamate receptor 3 (mGluR3) was evaluated


Bioorg Med Chem Lett 8: 2849-54 (1999)


Article DOI: 10.1016/s0960-894x(98)00510-1
BindingDB Entry DOI: 10.7270/Q2Z0379C
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 3 (mGlu3)


(Rattus norvegicus (Rat))
BDBM50072172
PNG
((1S,2S,3S)-2-[1-Amino-1-carboxy-2-(9H-xanthen-9-yl...)
Show SMILES CC[C@@H]1[C@@H]([C@H]1C(N)(CC1c2ccccc2Oc2ccccc12)C(O)=O)C(O)=O
Show InChI InChI=1S/C22H23NO5/c1-2-12-18(20(24)25)19(12)22(23,21(26)27)11-15-13-7-3-5-9-16(13)28-17-10-6-4-8-14(15)17/h3-10,12,15,18-19H,2,11,23H2,1H3,(H,24,25)(H,26,27)/t12-,18+,19+,22?/m1/s1
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n/an/a 76n/an/an/an/an/an/a



Centro de Investigación Lilly, SA

Curated by ChEMBL


Assay Description
Antagonistic activity against metabotropic glutamate receptor 3 (mGluR3) was evaluated


Bioorg Med Chem Lett 8: 2849-54 (1999)


Article DOI: 10.1016/s0960-894x(98)00510-1
BindingDB Entry DOI: 10.7270/Q2Z0379C
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50212322
PNG
(4-methoxyphenyl-6-methoxyquinazolin-4-yl | CHEMBL2...)
Show SMILES COc1ccc(Nc2ncnc3ccc(OC)cc23)cc1
Show InChI InChI=1S/C16H15N3O2/c1-20-12-5-3-11(4-6-12)19-16-14-9-13(21-2)7-8-15(14)17-10-18-16/h3-10H,1-2H3,(H,17,18,19)
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n/an/a 96n/an/an/an/an/an/a



Lilly Research Labs

Curated by ChEMBL


Assay Description
Antagonist activity at mGlu1 receptor


J Med Chem 50: 2563-8 (2007)


Article DOI: 10.1021/jm060950g
BindingDB Entry DOI: 10.7270/Q2XS5W7Q
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 3 (mGlu3)


(Rattus norvegicus (Rat))
BDBM50072169
PNG
((1S,2S,3S)-2-[1-Amino-1-carboxy-2-(9H-xanthen-9-yl...)
Show SMILES CCCCC[C@@H]1[C@@H]([C@H]1C(N)(CC1c2ccccc2Oc2ccccc12)C(O)=O)C(O)=O
Show InChI InChI=1S/C25H29NO5/c1-2-3-4-11-17-21(23(27)28)22(17)25(26,24(29)30)14-18-15-9-5-7-12-19(15)31-20-13-8-6-10-16(18)20/h5-10,12-13,17-18,21-22H,2-4,11,14,26H2,1H3,(H,27,28)(H,29,30)/t17-,21+,22+,25?/m1/s1
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n/an/a 100n/an/an/an/an/an/a



Centro de Investigación Lilly, SA

Curated by ChEMBL


Assay Description
Antagonistic activity against metabotropic glutamate receptor 3 (mGluR3) was evaluated


Bioorg Med Chem Lett 8: 2849-54 (1999)


Article DOI: 10.1016/s0960-894x(98)00510-1
BindingDB Entry DOI: 10.7270/Q2Z0379C
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 3 (mGlu3)


(Rattus norvegicus (Rat))
BDBM50072173
PNG
((1S,2S,3S)-2-[1-Amino-1-carboxy-2-(9H-xanthen-9-yl...)
Show SMILES CCCCCC[C@@H]1[C@@H]([C@H]1C(N)(CC1c2ccccc2Oc2ccccc12)C(O)=O)C(O)=O
Show InChI InChI=1S/C26H31NO5/c1-2-3-4-5-12-18-22(24(28)29)23(18)26(27,25(30)31)15-19-16-10-6-8-13-20(16)32-21-14-9-7-11-17(19)21/h6-11,13-14,18-19,22-23H,2-5,12,15,27H2,1H3,(H,28,29)(H,30,31)/t18-,22+,23+,26?/m1/s1
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n/an/a 122n/an/an/an/an/an/a



Centro de Investigación Lilly, SA

Curated by ChEMBL


Assay Description
Antagonistic activity against metabotropic glutamate receptor 3 (mGluR3) was evaluated


Bioorg Med Chem Lett 8: 2849-54 (1999)


Article DOI: 10.1016/s0960-894x(98)00510-1
BindingDB Entry DOI: 10.7270/Q2Z0379C
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 3 (mGlu3)


(Rattus norvegicus (Rat))
BDBM50072176
PNG
((1S,2S,3S)-2-[1-Amino-1-carboxy-2-(9H-xanthen-9-yl...)
Show SMILES NC(CC1c2ccccc2Oc2ccccc12)([C@H]1[C@H](CCc2ccccc2)[C@@H]1C(O)=O)C(O)=O
Show InChI InChI=1S/C28H27NO5/c29-28(27(32)33,25-20(24(25)26(30)31)15-14-17-8-2-1-3-9-17)16-21-18-10-4-6-12-22(18)34-23-13-7-5-11-19(21)23/h1-13,20-21,24-25H,14-16,29H2,(H,30,31)(H,32,33)/t20-,24+,25+,28?/m1/s1
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n/an/a 125n/an/an/an/an/an/a



Centro de Investigación Lilly, SA

Curated by ChEMBL


Assay Description
Antagonistic activity against metabotropic glutamate receptor 3 (mGluR3) was evaluated


Bioorg Med Chem Lett 8: 2849-54 (1999)


Article DOI: 10.1016/s0960-894x(98)00510-1
BindingDB Entry DOI: 10.7270/Q2Z0379C
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50212323
PNG
((3aS,6aS)-5-methylene-6a-(naphthalen-2-ylmethyl)-h...)
Show SMILES C=C1C[C@@H]2COC(=O)[C@]2(Cc2ccc3ccccc3c2)C1
Show InChI InChI=1S/C19H18O2/c1-13-8-17-12-21-18(20)19(17,10-13)11-14-6-7-15-4-2-3-5-16(15)9-14/h2-7,9,17H,1,8,10-12H2/t17-,19+/m1/s1
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n/an/a 160n/an/an/an/an/an/a



Lilly Research Labs

Curated by ChEMBL


Assay Description
Antagonist activity at mGlu1 receptor


J Med Chem 50: 2563-8 (2007)


Article DOI: 10.1021/jm060950g
BindingDB Entry DOI: 10.7270/Q2XS5W7Q
More data for this
Ligand-Target Pair
GRM8


(Homo sapiens (Human))
BDBM50062522
PNG
((1S,2S)-2-((S)-1-amino-1-carboxy-2-(9H-xanthen-9-y...)
Show SMILES N[C@@](CC1c2ccccc2Oc2ccccc12)([C@H]1C[C@@H]1C(O)=O)C(O)=O
Show InChI InChI=1S/C20H19NO5/c21-20(19(24)25,15-9-13(15)18(22)23)10-14-11-5-1-3-7-16(11)26-17-8-4-2-6-12(14)17/h1-8,13-15H,9-10,21H2,(H,22,23)(H,24,25)/t13-,15-,20-/m0/s1
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n/an/a 170n/an/an/an/an/an/a



Centro de Investigación Lilly, SA

Curated by ChEMBL


Assay Description
Antagonistic activity against metabotropic glutamate receptor 8 (mGluR8) was evaluated


Bioorg Med Chem Lett 8: 2849-54 (1999)


Article DOI: 10.1016/s0960-894x(98)00510-1
BindingDB Entry DOI: 10.7270/Q2Z0379C
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 3 (mGlu3)


(Rattus norvegicus (Rat))
BDBM50072168
PNG
((1S,2S,3S)-2-[1-Amino-1-carboxy-2-(9H-xanthen-9-yl...)
Show SMILES CCC[C@@H]1[C@@H]([C@H]1C(N)(CC1c2ccccc2Oc2ccccc12)C(O)=O)C(O)=O
Show InChI InChI=1S/C23H25NO5/c1-2-7-15-19(21(25)26)20(15)23(24,22(27)28)12-16-13-8-3-5-10-17(13)29-18-11-6-4-9-14(16)18/h3-6,8-11,15-16,19-20H,2,7,12,24H2,1H3,(H,25,26)(H,27,28)/t15-,19+,20+,23?/m1/s1
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n/an/a 196n/an/an/an/an/an/a



Centro de Investigación Lilly, SA

Curated by ChEMBL


Assay Description
Antagonistic activity against metabotropic glutamate receptor 3 (mGluR3) was evaluated


Bioorg Med Chem Lett 8: 2849-54 (1999)


Article DOI: 10.1016/s0960-894x(98)00510-1
BindingDB Entry DOI: 10.7270/Q2Z0379C
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Rattus norvegicus)
BDBM50062522
PNG
((1S,2S)-2-((S)-1-amino-1-carboxy-2-(9H-xanthen-9-y...)
Show SMILES N[C@@](CC1c2ccccc2Oc2ccccc12)([C@H]1C[C@@H]1C(O)=O)C(O)=O
Show InChI InChI=1S/C20H19NO5/c21-20(19(24)25,15-9-13(15)18(22)23)10-14-11-5-1-3-7-16(11)26-17-8-4-2-6-12(14)17/h1-8,13-15H,9-10,21H2,(H,22,23)(H,24,25)/t13-,15-,20-/m0/s1
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n/an/a 200n/an/an/an/an/an/a



Centro de Investigación Lilly, SA

Curated by ChEMBL


Assay Description
Antagonistic activity against metabotropic glutamate receptor 2 (mGluR2) was evaluated


Bioorg Med Chem Lett 8: 2849-54 (1999)


Article DOI: 10.1016/s0960-894x(98)00510-1
BindingDB Entry DOI: 10.7270/Q2Z0379C
More data for this
Ligand-Target Pair
GRM8


(Homo sapiens (Human))
BDBM50072169
PNG
((1S,2S,3S)-2-[1-Amino-1-carboxy-2-(9H-xanthen-9-yl...)
Show SMILES CCCCC[C@@H]1[C@@H]([C@H]1C(N)(CC1c2ccccc2Oc2ccccc12)C(O)=O)C(O)=O
Show InChI InChI=1S/C25H29NO5/c1-2-3-4-11-17-21(23(27)28)22(17)25(26,24(29)30)14-18-15-9-5-7-12-19(15)31-20-13-8-6-10-16(18)20/h5-10,12-13,17-18,21-22H,2-4,11,14,26H2,1H3,(H,27,28)(H,29,30)/t17-,21+,22+,25?/m1/s1
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n/an/a 340n/an/an/an/an/an/a



Centro de Investigación Lilly, SA

Curated by ChEMBL


Assay Description
Antagonistic activity against metabotropic glutamate receptor 8 (mGluR8) was evaluated


Bioorg Med Chem Lett 8: 2849-54 (1999)


Article DOI: 10.1016/s0960-894x(98)00510-1
BindingDB Entry DOI: 10.7270/Q2Z0379C
More data for this
Ligand-Target Pair
GRM8


(Homo sapiens (Human))
BDBM50072170
PNG
((1S,2S,3S)-2-[1-Amino-1-carboxy-2-(9H-xanthen-9-yl...)
Show SMILES CC(C)C[C@@H]1[C@@H]([C@H]1C(N)(CC1c2ccccc2Oc2ccccc12)C(O)=O)C(O)=O
Show InChI InChI=1S/C24H27NO5/c1-13(2)11-16-20(22(26)27)21(16)24(25,23(28)29)12-17-14-7-3-5-9-18(14)30-19-10-6-4-8-15(17)19/h3-10,13,16-17,20-21H,11-12,25H2,1-2H3,(H,26,27)(H,28,29)/t16-,20+,21+,24?/m1/s1
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n/an/a 380n/an/an/an/an/an/a



Centro de Investigación Lilly, SA

Curated by ChEMBL


Assay Description
Antagonistic activity against metabotropic glutamate receptor 8 (mGluR8) was evaluated


Bioorg Med Chem Lett 8: 2849-54 (1999)


Article DOI: 10.1016/s0960-894x(98)00510-1
BindingDB Entry DOI: 10.7270/Q2Z0379C
More data for this
Ligand-Target Pair
GRM8


(Homo sapiens (Human))
BDBM50072177
PNG
((1S,2S,3S)-2-[1-Amino-1-carboxy-2-(9H-xanthen-9-yl...)
Show SMILES CCCC[C@@H]1[C@@H]([C@H]1C(N)(CC1c2ccccc2Oc2ccccc12)C(O)=O)C(O)=O
Show InChI InChI=1S/C24H27NO5/c1-2-3-8-16-20(22(26)27)21(16)24(25,23(28)29)13-17-14-9-4-6-11-18(14)30-19-12-7-5-10-15(17)19/h4-7,9-12,16-17,20-21H,2-3,8,13,25H2,1H3,(H,26,27)(H,28,29)/t16-,20+,21+,24?/m1/s1
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n/an/a 490n/an/an/an/an/an/a



Centro de Investigación Lilly, SA

Curated by ChEMBL


Assay Description
Antagonistic activity against metabotropic glutamate receptor 8 (mGluR8) was evaluated


Bioorg Med Chem Lett 8: 2849-54 (1999)


Article DOI: 10.1016/s0960-894x(98)00510-1
BindingDB Entry DOI: 10.7270/Q2Z0379C
More data for this
Ligand-Target Pair
GRM8


(Homo sapiens (Human))
BDBM50072173
PNG
((1S,2S,3S)-2-[1-Amino-1-carboxy-2-(9H-xanthen-9-yl...)
Show SMILES CCCCCC[C@@H]1[C@@H]([C@H]1C(N)(CC1c2ccccc2Oc2ccccc12)C(O)=O)C(O)=O
Show InChI InChI=1S/C26H31NO5/c1-2-3-4-5-12-18-22(24(28)29)23(18)26(27,25(30)31)15-19-16-10-6-8-13-20(16)32-21-14-9-7-11-17(19)21/h6-11,13-14,18-19,22-23H,2-5,12,15,27H2,1H3,(H,28,29)(H,30,31)/t18-,22+,23+,26?/m1/s1
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n/an/a 750n/an/an/an/an/an/a



Centro de Investigación Lilly, SA

Curated by ChEMBL


Assay Description
Antagonistic activity against metabotropic glutamate receptor 8 (mGluR8) was evaluated


Bioorg Med Chem Lett 8: 2849-54 (1999)


Article DOI: 10.1016/s0960-894x(98)00510-1
BindingDB Entry DOI: 10.7270/Q2Z0379C
More data for this
Ligand-Target Pair
GRM8


(Homo sapiens (Human))
BDBM50072176
PNG
((1S,2S,3S)-2-[1-Amino-1-carboxy-2-(9H-xanthen-9-yl...)
Show SMILES NC(CC1c2ccccc2Oc2ccccc12)([C@H]1[C@H](CCc2ccccc2)[C@@H]1C(O)=O)C(O)=O
Show InChI InChI=1S/C28H27NO5/c29-28(27(32)33,25-20(24(25)26(30)31)15-14-17-8-2-1-3-9-17)16-21-18-10-4-6-12-22(18)34-23-13-7-5-11-19(21)23/h1-13,20-21,24-25H,14-16,29H2,(H,30,31)(H,32,33)/t20-,24+,25+,28?/m1/s1
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n/an/a 990n/an/an/an/an/an/a



Centro de Investigación Lilly, SA

Curated by ChEMBL


Assay Description
Antagonistic activity against metabotropic glutamate receptor 8 (mGluR8) was evaluated


Bioorg Med Chem Lett 8: 2849-54 (1999)


Article DOI: 10.1016/s0960-894x(98)00510-1
BindingDB Entry DOI: 10.7270/Q2Z0379C
More data for this
Ligand-Target Pair
GRM7


(Homo sapiens (Human))
BDBM50062522
PNG
((1S,2S)-2-((S)-1-amino-1-carboxy-2-(9H-xanthen-9-y...)
Show SMILES N[C@@](CC1c2ccccc2Oc2ccccc12)([C@H]1C[C@@H]1C(O)=O)C(O)=O
Show InChI InChI=1S/C20H19NO5/c21-20(19(24)25,15-9-13(15)18(22)23)10-14-11-5-1-3-7-16(11)26-17-8-4-2-6-12(14)17/h1-8,13-15H,9-10,21H2,(H,22,23)(H,24,25)/t13-,15-,20-/m0/s1
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n/an/a 990n/an/an/an/an/an/a



Centro de Investigación Lilly, SA

Curated by ChEMBL


Assay Description
Antagonistic activity against metabotropic glutamate receptor 7 (mGluR7) was evaluated


Bioorg Med Chem Lett 8: 2849-54 (1999)


Article DOI: 10.1016/s0960-894x(98)00510-1
BindingDB Entry DOI: 10.7270/Q2Z0379C
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 3 (mGlu3)


(Rattus norvegicus (Rat))
BDBM50072171
PNG
((1S,2S,3S)-2-[1-Amino-1-carboxy-2-(9H-xanthen-9-yl...)
Show SMILES C[C@@H]1[C@@H]([C@H]1C(N)(CC1c2ccccc2Oc2ccccc12)C(O)=O)C(O)=O
Show InChI InChI=1S/C21H21NO5/c1-11-17(19(23)24)18(11)21(22,20(25)26)10-14-12-6-2-4-8-15(12)27-16-9-5-3-7-13(14)16/h2-9,11,14,17-18H,10,22H2,1H3,(H,23,24)(H,25,26)/t11-,17+,18+,21?/m1/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



Centro de Investigación Lilly, SA

Curated by ChEMBL


Assay Description
Antagonistic activity against metabotropic glutamate receptor 3 (mGluR3) was evaluated


Bioorg Med Chem Lett 8: 2849-54 (1999)


Article DOI: 10.1016/s0960-894x(98)00510-1
BindingDB Entry DOI: 10.7270/Q2Z0379C
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50212327
PNG
(3-(amino(carboxy)(9H-thioxanthen-9-yl)methyl)cyclo...)
Show SMILES NC(C1CC(C1)C(O)=O)(C1c2ccccc2Sc2ccccc12)C(O)=O
Show InChI InChI=1/C20H19NO4S/c21-20(19(24)25,12-9-11(10-12)18(22)23)17-13-5-1-3-7-15(13)26-16-8-4-2-6-14(16)17/h1-8,11-12,17H,9-10,21H2,(H,22,23)(H,24,25)
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n/an/a 1.00E+3n/an/an/an/an/an/a



Lilly Research Labs

Curated by ChEMBL


Assay Description
Antagonist activity at mGlu1 receptor


J Med Chem 50: 2563-8 (2007)


Article DOI: 10.1021/jm060950g
BindingDB Entry DOI: 10.7270/Q2XS5W7Q
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 3 (mGlu3)


(Rattus norvegicus (Rat))
BDBM50072174
PNG
((1S,2S,3S)-2-[1-Amino-1-carboxy-2-(9H-xanthen-9-yl...)
Show SMILES CCCCCCCCC[C@@H]1[C@@H]([C@H]1C(N)(CC1c2ccccc2Oc2ccccc12)C(O)=O)C(O)=O
Show InChI InChI=1S/C29H37NO5/c1-2-3-4-5-6-7-8-15-21-25(27(31)32)26(21)29(30,28(33)34)18-22-19-13-9-11-16-23(19)35-24-17-12-10-14-20(22)24/h9-14,16-17,21-22,25-26H,2-8,15,18,30H2,1H3,(H,31,32)(H,33,34)/t21-,25+,26+,29?/m1/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Centro de Investigación Lilly, SA

Curated by ChEMBL


Assay Description
Antagonistic activity against metabotropic glutamate receptor 3 (mGluR3) was evaluated


Bioorg Med Chem Lett 8: 2849-54 (1999)


Article DOI: 10.1016/s0960-894x(98)00510-1
BindingDB Entry DOI: 10.7270/Q2Z0379C
More data for this
Ligand-Target Pair
GRM8


(Homo sapiens (Human))
BDBM50072171
PNG
((1S,2S,3S)-2-[1-Amino-1-carboxy-2-(9H-xanthen-9-yl...)
Show SMILES C[C@@H]1[C@@H]([C@H]1C(N)(CC1c2ccccc2Oc2ccccc12)C(O)=O)C(O)=O
Show InChI InChI=1S/C21H21NO5/c1-11-17(19(23)24)18(11)21(22,20(25)26)10-14-12-6-2-4-8-15(12)27-16-9-5-3-7-13(14)16/h2-9,11,14,17-18H,10,22H2,1H3,(H,23,24)(H,25,26)/t11-,17+,18+,21?/m1/s1
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n/an/a 1.23E+3n/an/an/an/an/an/a



Centro de Investigación Lilly, SA

Curated by ChEMBL


Assay Description
Antagonistic activity against metabotropic glutamate receptor 8 (mGluR8) was evaluated


Bioorg Med Chem Lett 8: 2849-54 (1999)


Article DOI: 10.1016/s0960-894x(98)00510-1
BindingDB Entry DOI: 10.7270/Q2Z0379C
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Rattus norvegicus)
BDBM50072177
PNG
((1S,2S,3S)-2-[1-Amino-1-carboxy-2-(9H-xanthen-9-yl...)
Show SMILES CCCC[C@@H]1[C@@H]([C@H]1C(N)(CC1c2ccccc2Oc2ccccc12)C(O)=O)C(O)=O
Show InChI InChI=1S/C24H27NO5/c1-2-3-8-16-20(22(26)27)21(16)24(25,23(28)29)13-17-14-9-4-6-11-18(14)30-19-12-7-5-10-15(17)19/h4-7,9-12,16-17,20-21H,2-3,8,13,25H2,1H3,(H,26,27)(H,28,29)/t16-,20+,21+,24?/m1/s1
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n/an/a 1.32E+3n/an/an/an/an/an/a



Centro de Investigación Lilly, SA

Curated by ChEMBL


Assay Description
Antagonistic activity against metabotropic glutamate receptor 2 (mGluR2) was evaluated


Bioorg Med Chem Lett 8: 2849-54 (1999)


Article DOI: 10.1016/s0960-894x(98)00510-1
BindingDB Entry DOI: 10.7270/Q2Z0379C
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Rattus norvegicus)
BDBM50072170
PNG
((1S,2S,3S)-2-[1-Amino-1-carboxy-2-(9H-xanthen-9-yl...)
Show SMILES CC(C)C[C@@H]1[C@@H]([C@H]1C(N)(CC1c2ccccc2Oc2ccccc12)C(O)=O)C(O)=O
Show InChI InChI=1S/C24H27NO5/c1-13(2)11-16-20(22(26)27)21(16)24(25,23(28)29)12-17-14-7-3-5-9-18(14)30-19-10-6-4-8-15(17)19/h3-10,13,16-17,20-21H,11-12,25H2,1-2H3,(H,26,27)(H,28,29)/t16-,20+,21+,24?/m1/s1
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n/an/a 1.37E+3n/an/an/an/an/an/a



Centro de Investigación Lilly, SA

Curated by ChEMBL


Assay Description
Antagonistic activity against metabotropic glutamate receptor 2 (mGluR2) was evaluated


Bioorg Med Chem Lett 8: 2849-54 (1999)


Article DOI: 10.1016/s0960-894x(98)00510-1
BindingDB Entry DOI: 10.7270/Q2Z0379C
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Rattus norvegicus)
BDBM50072176
PNG
((1S,2S,3S)-2-[1-Amino-1-carboxy-2-(9H-xanthen-9-yl...)
Show SMILES NC(CC1c2ccccc2Oc2ccccc12)([C@H]1[C@H](CCc2ccccc2)[C@@H]1C(O)=O)C(O)=O
Show InChI InChI=1S/C28H27NO5/c29-28(27(32)33,25-20(24(25)26(30)31)15-14-17-8-2-1-3-9-17)16-21-18-10-4-6-12-22(18)34-23-13-7-5-11-19(21)23/h1-13,20-21,24-25H,14-16,29H2,(H,30,31)(H,32,33)/t20-,24+,25+,28?/m1/s1
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n/an/a 1.67E+3n/an/an/an/an/an/a



Centro de Investigación Lilly, SA

Curated by ChEMBL


Assay Description
Antagonistic activity against metabotropic glutamate receptor 2 (mGluR2) was evaluated


Bioorg Med Chem Lett 8: 2849-54 (1999)


Article DOI: 10.1016/s0960-894x(98)00510-1
BindingDB Entry DOI: 10.7270/Q2Z0379C
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Rattus norvegicus)
BDBM50072173
PNG
((1S,2S,3S)-2-[1-Amino-1-carboxy-2-(9H-xanthen-9-yl...)
Show SMILES CCCCCC[C@@H]1[C@@H]([C@H]1C(N)(CC1c2ccccc2Oc2ccccc12)C(O)=O)C(O)=O
Show InChI InChI=1S/C26H31NO5/c1-2-3-4-5-12-18-22(24(28)29)23(18)26(27,25(30)31)15-19-16-10-6-8-13-20(16)32-21-14-9-7-11-17(19)21/h6-11,13-14,18-19,22-23H,2-5,12,15,27H2,1H3,(H,28,29)(H,30,31)/t18-,22+,23+,26?/m1/s1
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n/an/a 1.87E+3n/an/an/an/an/an/a



Centro de Investigación Lilly, SA

Curated by ChEMBL


Assay Description
Antagonistic activity against metabotropic glutamate receptor 2 (mGluR2) was evaluated


Bioorg Med Chem Lett 8: 2849-54 (1999)


Article DOI: 10.1016/s0960-894x(98)00510-1
BindingDB Entry DOI: 10.7270/Q2Z0379C
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Rattus norvegicus)
BDBM50072174
PNG
((1S,2S,3S)-2-[1-Amino-1-carboxy-2-(9H-xanthen-9-yl...)
Show SMILES CCCCCCCCC[C@@H]1[C@@H]([C@H]1C(N)(CC1c2ccccc2Oc2ccccc12)C(O)=O)C(O)=O
Show InChI InChI=1S/C29H37NO5/c1-2-3-4-5-6-7-8-15-21-25(27(31)32)26(21)29(30,28(33)34)18-22-19-13-9-11-16-23(19)35-24-17-12-10-14-20(22)24/h9-14,16-17,21-22,25-26H,2-8,15,18,30H2,1H3,(H,31,32)(H,33,34)/t21-,25+,26+,29?/m1/s1
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n/an/a 2.16E+3n/an/an/an/an/an/a



Centro de Investigación Lilly, SA

Curated by ChEMBL


Assay Description
Antagonistic activity against metabotropic glutamate receptor 2 (mGluR2) was evaluated


Bioorg Med Chem Lett 8: 2849-54 (1999)


Article DOI: 10.1016/s0960-894x(98)00510-1
BindingDB Entry DOI: 10.7270/Q2Z0379C
More data for this
Ligand-Target Pair
GRM8


(Homo sapiens (Human))
BDBM50072168
PNG
((1S,2S,3S)-2-[1-Amino-1-carboxy-2-(9H-xanthen-9-yl...)
Show SMILES CCC[C@@H]1[C@@H]([C@H]1C(N)(CC1c2ccccc2Oc2ccccc12)C(O)=O)C(O)=O
Show InChI InChI=1S/C23H25NO5/c1-2-7-15-19(21(25)26)20(15)23(24,22(27)28)12-16-13-8-3-5-10-17(13)29-18-11-6-4-9-14(16)18/h3-6,8-11,15-16,19-20H,2,7,12,24H2,1H3,(H,25,26)(H,27,28)/t15-,19+,20+,23?/m1/s1
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n/an/a 2.25E+3n/an/an/an/an/an/a



Centro de Investigación Lilly, SA

Curated by ChEMBL


Assay Description
Antagonistic activity against metabotropic glutamate receptor 8 (mGluR8) was evaluated


Bioorg Med Chem Lett 8: 2849-54 (1999)


Article DOI: 10.1016/s0960-894x(98)00510-1
BindingDB Entry DOI: 10.7270/Q2Z0379C
More data for this
Ligand-Target Pair
GRM8


(Homo sapiens (Human))
BDBM50072172
PNG
((1S,2S,3S)-2-[1-Amino-1-carboxy-2-(9H-xanthen-9-yl...)
Show SMILES CC[C@@H]1[C@@H]([C@H]1C(N)(CC1c2ccccc2Oc2ccccc12)C(O)=O)C(O)=O
Show InChI InChI=1S/C22H23NO5/c1-2-12-18(20(24)25)19(12)22(23,21(26)27)11-15-13-7-3-5-9-16(13)28-17-10-6-4-8-14(15)17/h3-10,12,15,18-19H,2,11,23H2,1H3,(H,24,25)(H,26,27)/t12-,18+,19+,22?/m1/s1
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n/an/a 2.52E+3n/an/an/an/an/an/a



Centro de Investigación Lilly, SA

Curated by ChEMBL


Assay Description
Antagonistic activity against metabotropic glutamate receptor 8 (mGluR8) was evaluated


Bioorg Med Chem Lett 8: 2849-54 (1999)


Article DOI: 10.1016/s0960-894x(98)00510-1
BindingDB Entry DOI: 10.7270/Q2Z0379C
More data for this
Ligand-Target Pair
GRM7


(Homo sapiens (Human))
BDBM50072170
PNG
((1S,2S,3S)-2-[1-Amino-1-carboxy-2-(9H-xanthen-9-yl...)
Show SMILES CC(C)C[C@@H]1[C@@H]([C@H]1C(N)(CC1c2ccccc2Oc2ccccc12)C(O)=O)C(O)=O
Show InChI InChI=1S/C24H27NO5/c1-13(2)11-16-20(22(26)27)21(16)24(25,23(28)29)12-17-14-7-3-5-9-18(14)30-19-10-6-4-8-15(17)19/h3-10,13,16-17,20-21H,11-12,25H2,1-2H3,(H,26,27)(H,28,29)/t16-,20+,21+,24?/m1/s1
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n/an/a 2.60E+3n/an/an/an/an/an/a



Centro de Investigación Lilly, SA

Curated by ChEMBL


Assay Description
Antagonistic activity against metabotropic glutamate receptor 7 (mGluR7) was evaluated


Bioorg Med Chem Lett 8: 2849-54 (1999)


Article DOI: 10.1016/s0960-894x(98)00510-1
BindingDB Entry DOI: 10.7270/Q2Z0379C
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Rattus norvegicus)
BDBM50072172
PNG
((1S,2S,3S)-2-[1-Amino-1-carboxy-2-(9H-xanthen-9-yl...)
Show SMILES CC[C@@H]1[C@@H]([C@H]1C(N)(CC1c2ccccc2Oc2ccccc12)C(O)=O)C(O)=O
Show InChI InChI=1S/C22H23NO5/c1-2-12-18(20(24)25)19(12)22(23,21(26)27)11-15-13-7-3-5-9-16(13)28-17-10-6-4-8-14(15)17/h3-10,12,15,18-19H,2,11,23H2,1H3,(H,24,25)(H,26,27)/t12-,18+,19+,22?/m1/s1
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n/an/a 2.85E+3n/an/an/an/an/an/a



Centro de Investigación Lilly, SA

Curated by ChEMBL


Assay Description
Antagonistic activity against metabotropic glutamate receptor 2 (mGluR2) was evaluated


Bioorg Med Chem Lett 8: 2849-54 (1999)


Article DOI: 10.1016/s0960-894x(98)00510-1
BindingDB Entry DOI: 10.7270/Q2Z0379C
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50212325
PNG
((S)-(ALPHA)-METHYL-4-CARBOXYPHENYLGLYCINE | (S)-4-...)
Show SMILES C[C@@](N)(C(O)=O)c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C10H11NO4/c1-10(11,9(14)15)7-4-2-6(3-5-7)8(12)13/h2-5H,11H2,1H3,(H,12,13)(H,14,15)/t10-/m0/s1
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n/an/a 4.30E+3n/an/an/an/an/an/a



Lilly Research Labs

Curated by ChEMBL


Assay Description
Antagonist activity at mGlu1 receptor


J Med Chem 50: 2563-8 (2007)


Article DOI: 10.1021/jm060950g
BindingDB Entry DOI: 10.7270/Q2XS5W7Q
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50212325
PNG
((S)-(ALPHA)-METHYL-4-CARBOXYPHENYLGLYCINE | (S)-4-...)
Show SMILES C[C@@](N)(C(O)=O)c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C10H11NO4/c1-10(11,9(14)15)7-4-2-6(3-5-7)8(12)13/h2-5H,11H2,1H3,(H,12,13)(H,14,15)/t10-/m0/s1
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n/an/a 4.30E+3n/an/an/an/an/an/a



Lilly Research Labs

Curated by ChEMBL


Assay Description
Antagonist activity at mGlu2 receptor


J Med Chem 50: 2563-8 (2007)


Article DOI: 10.1021/jm060950g
BindingDB Entry DOI: 10.7270/Q2XS5W7Q
More data for this
Ligand-Target Pair
GRM8


(Homo sapiens (Human))
BDBM50072174
PNG
((1S,2S,3S)-2-[1-Amino-1-carboxy-2-(9H-xanthen-9-yl...)
Show SMILES CCCCCCCCC[C@@H]1[C@@H]([C@H]1C(N)(CC1c2ccccc2Oc2ccccc12)C(O)=O)C(O)=O
Show InChI InChI=1S/C29H37NO5/c1-2-3-4-5-6-7-8-15-21-25(27(31)32)26(21)29(30,28(33)34)18-22-19-13-9-11-16-23(19)35-24-17-12-10-14-20(22)24/h9-14,16-17,21-22,25-26H,2-8,15,18,30H2,1H3,(H,31,32)(H,33,34)/t21-,25+,26+,29?/m1/s1
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n/an/a 5.18E+3n/an/an/an/an/an/a



Centro de Investigación Lilly, SA

Curated by ChEMBL


Assay Description
Antagonistic activity against metabotropic glutamate receptor 8 (mGluR8) was evaluated


Bioorg Med Chem Lett 8: 2849-54 (1999)


Article DOI: 10.1016/s0960-894x(98)00510-1
BindingDB Entry DOI: 10.7270/Q2Z0379C
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50072174
PNG
((1S,2S,3S)-2-[1-Amino-1-carboxy-2-(9H-xanthen-9-yl...)
Show SMILES CCCCCCCCC[C@@H]1[C@@H]([C@H]1C(N)(CC1c2ccccc2Oc2ccccc12)C(O)=O)C(O)=O
Show InChI InChI=1S/C29H37NO5/c1-2-3-4-5-6-7-8-15-21-25(27(31)32)26(21)29(30,28(33)34)18-22-19-13-9-11-16-23(19)35-24-17-12-10-14-20(22)24/h9-14,16-17,21-22,25-26H,2-8,15,18,30H2,1H3,(H,31,32)(H,33,34)/t21-,25+,26+,29?/m1/s1
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n/an/a 5.40E+3n/an/an/an/an/an/a



Centro de Investigación Lilly, SA

Curated by ChEMBL


Assay Description
Antagonistic activity against metabotropic glutamate receptor 5 (mGluR5) was evaluated


Bioorg Med Chem Lett 8: 2849-54 (1999)


Article DOI: 10.1016/s0960-894x(98)00510-1
BindingDB Entry DOI: 10.7270/Q2Z0379C
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50072174
PNG
((1S,2S,3S)-2-[1-Amino-1-carboxy-2-(9H-xanthen-9-yl...)
Show SMILES CCCCCCCCC[C@@H]1[C@@H]([C@H]1C(N)(CC1c2ccccc2Oc2ccccc12)C(O)=O)C(O)=O
Show InChI InChI=1S/C29H37NO5/c1-2-3-4-5-6-7-8-15-21-25(27(31)32)26(21)29(30,28(33)34)18-22-19-13-9-11-16-23(19)35-24-17-12-10-14-20(22)24/h9-14,16-17,21-22,25-26H,2-8,15,18,30H2,1H3,(H,31,32)(H,33,34)/t21-,25+,26+,29?/m1/s1
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n/an/a 5.70E+3n/an/an/an/an/an/a



Centro de Investigación Lilly, SA

Curated by ChEMBL


Assay Description
Antagonistic activity against metabotropic glutamate receptor 1 (mGluR1) was evaluated


Bioorg Med Chem Lett 8: 2849-54 (1999)


Article DOI: 10.1016/s0960-894x(98)00510-1
BindingDB Entry DOI: 10.7270/Q2Z0379C
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50089913
PNG
(4-(Amino-carboxy-methyl)-2-hydroxy-3-methyl-benzoi...)
Show SMILES Cc1c(O)c(ccc1C(N)C(O)=O)C(O)=O
Show InChI InChI=1/C10H11NO5/c1-4-5(7(11)10(15)16)2-3-6(8(4)12)9(13)14/h2-3,7,12H,11H2,1H3,(H,13,14)(H,15,16)
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n/an/a 6.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for functional response of human metabotropic glutamate receptor mGluR1-alpha expressed in AV-12 cells by measuring inhibitory co...


Bioorg Med Chem Lett 7: 2777-2780 (1997)


Article DOI: 10.1016/S0960-894X(97)10071-3
BindingDB Entry DOI: 10.7270/Q25Q4W4G
More data for this
Ligand-Target Pair
GRM7


(Homo sapiens (Human))
BDBM50072173
PNG
((1S,2S,3S)-2-[1-Amino-1-carboxy-2-(9H-xanthen-9-yl...)
Show SMILES CCCCCC[C@@H]1[C@@H]([C@H]1C(N)(CC1c2ccccc2Oc2ccccc12)C(O)=O)C(O)=O
Show InChI InChI=1S/C26H31NO5/c1-2-3-4-5-12-18-22(24(28)29)23(18)26(27,25(30)31)15-19-16-10-6-8-13-20(16)32-21-14-9-7-11-17(19)21/h6-11,13-14,18-19,22-23H,2-5,12,15,27H2,1H3,(H,28,29)(H,30,31)/t18-,22+,23+,26?/m1/s1
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n/an/a 6.25E+3n/an/an/an/an/an/a



Centro de Investigación Lilly, SA

Curated by ChEMBL


Assay Description
Antagonistic activity against metabotropic glutamate receptor 7 (mGluR7) was evaluated


Bioorg Med Chem Lett 8: 2849-54 (1999)


Article DOI: 10.1016/s0960-894x(98)00510-1
BindingDB Entry DOI: 10.7270/Q2Z0379C
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM86213
PNG
(CAS_5126051 | CHEMBL327783 | CPCCOEt | NSC_5126051)
Show SMILES CCOC(=O)C12CC1C(N=O)c1ccccc1O2
Show InChI InChI=1/C13H13NO4/c1-2-17-12(15)13-7-9(13)11(14-16)8-5-3-4-6-10(8)18-13/h3-6,9,11H,2,7H2,1H3
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n/an/a 6.60E+3n/an/an/an/an/an/a



Lilly Research Labs

Curated by ChEMBL


Assay Description
Antagonist activity at human mGlu1b receptor


J Med Chem 50: 2563-8 (2007)


Article DOI: 10.1021/jm060950g
BindingDB Entry DOI: 10.7270/Q2XS5W7Q
More data for this
Ligand-Target Pair
GRM7


(Homo sapiens (Human))
BDBM50072169
PNG
((1S,2S,3S)-2-[1-Amino-1-carboxy-2-(9H-xanthen-9-yl...)
Show SMILES CCCCC[C@@H]1[C@@H]([C@H]1C(N)(CC1c2ccccc2Oc2ccccc12)C(O)=O)C(O)=O
Show InChI InChI=1S/C25H29NO5/c1-2-3-4-11-17-21(23(27)28)22(17)25(26,24(29)30)14-18-15-9-5-7-12-19(15)31-20-13-8-6-10-16(18)20/h5-10,12-13,17-18,21-22H,2-4,11,14,26H2,1H3,(H,27,28)(H,29,30)/t17-,21+,22+,25?/m1/s1
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n/an/a 7.61E+3n/an/an/an/an/an/a



Centro de Investigación Lilly, SA

Curated by ChEMBL


Assay Description
Antagonistic activity against metabotropic glutamate receptor 7 (mGluR7) was evaluated


Bioorg Med Chem Lett 8: 2849-54 (1999)


Article DOI: 10.1016/s0960-894x(98)00510-1
BindingDB Entry DOI: 10.7270/Q2Z0379C
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50062522
PNG
((1S,2S)-2-((S)-1-amino-1-carboxy-2-(9H-xanthen-9-y...)
Show SMILES N[C@@](CC1c2ccccc2Oc2ccccc12)([C@H]1C[C@@H]1C(O)=O)C(O)=O
Show InChI InChI=1S/C20H19NO5/c21-20(19(24)25,15-9-13(15)18(22)23)10-14-11-5-1-3-7-16(11)26-17-8-4-2-6-12(14)17/h1-8,13-15H,9-10,21H2,(H,22,23)(H,24,25)/t13-,15-,20-/m0/s1
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n/an/a 7.80E+3n/an/an/an/an/an/a



Centro de Investigación Lilly, SA

Curated by ChEMBL


Assay Description
Antagonistic activity against metabotropic glutamate receptor 1 (mGluR1) was evaluated


Bioorg Med Chem Lett 8: 2849-54 (1999)


Article DOI: 10.1016/s0960-894x(98)00510-1
BindingDB Entry DOI: 10.7270/Q2Z0379C
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
GRM7


(Homo sapiens (Human))
BDBM50072174
PNG
((1S,2S,3S)-2-[1-Amino-1-carboxy-2-(9H-xanthen-9-yl...)
Show SMILES CCCCCCCCC[C@@H]1[C@@H]([C@H]1C(N)(CC1c2ccccc2Oc2ccccc12)C(O)=O)C(O)=O
Show InChI InChI=1S/C29H37NO5/c1-2-3-4-5-6-7-8-15-21-25(27(31)32)26(21)29(30,28(33)34)18-22-19-13-9-11-16-23(19)35-24-17-12-10-14-20(22)24/h9-14,16-17,21-22,25-26H,2-8,15,18,30H2,1H3,(H,31,32)(H,33,34)/t21-,25+,26+,29?/m1/s1
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n/an/a 7.82E+3n/an/an/an/an/an/a



Centro de Investigación Lilly, SA

Curated by ChEMBL


Assay Description
Antagonistic activity against metabotropic glutamate receptor 7 (mGluR7) was evaluated


Bioorg Med Chem Lett 8: 2849-54 (1999)


Article DOI: 10.1016/s0960-894x(98)00510-1
BindingDB Entry DOI: 10.7270/Q2Z0379C
More data for this
Ligand-Target Pair
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