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Compile Data Set for Download or QSAR

Found 71 hits with Last Name = 'tückmantel' and Initial = 'w'   
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
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50166908
PNG
(5,8,14-triazatetracyclo[10.3.1.02,11.04,9]hexadeca...)
Show SMILES C1C2CNCC1c1cc3nccnc3cc21
Show InChI InChI=1S/C13H13N3/c1-2-16-13-5-11-9-3-8(6-14-7-9)10(11)4-12(13)15-1/h1-2,4-5,8-9,14H,3,6-7H2
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125n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Binding affinity to rat alpha7 nACHR at 10 uM


J Med Chem 55: 812-23 (2012)


Article DOI: 10.1021/jm201301h
BindingDB Entry DOI: 10.7270/Q2WW7JS7
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50394679
PNG
(CHEMBL2165444)
Show SMILES Cc1cc(OC[C@@H]2CCN2)on1 |r|
Show InChI InChI=1S/C8H12N2O2/c1-6-4-8(12-10-6)11-5-7-2-3-9-7/h4,7,9H,2-3,5H2,1H3/t7-/m0/s1
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2.89E+3n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Binding affinity to rat alpha7 nACHR at 10 uM


J Med Chem 55: 812-23 (2012)


Article DOI: 10.1021/jm201301h
BindingDB Entry DOI: 10.7270/Q2WW7JS7
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Homo sapiens (Human))
BDBM50382474
PNG
(CHEMBL2024096 | US9303017, Sazetidine-A)
Show SMILES OCCCCC#Cc1cncc(OC[C@@H]2CCN2)c1 |r|
Show InChI InChI=1S/C15H20N2O2/c18-8-4-2-1-3-5-13-9-15(11-16-10-13)19-12-14-6-7-17-14/h9-11,14,17-18H,1-2,4,6-8,12H2/t14-/m0/s1
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n/an/a 4.80n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha4beta2 nAChR expressed in SH-EP1 cells assessed as inhibition of carbamylcholine induced 86Rb+ ion efflux preincuba...


J Med Chem 55: 717-24 (2012)


Article DOI: 10.1021/jm201157c
BindingDB Entry DOI: 10.7270/Q21N8244
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Homo sapiens (Human))
BDBM50382472
PNG
(CHEMBL2024094)
Show SMILES COCC[C@H]1C[C@@H]1c1cncc(OC[C@@H]2CCN2)c1 |r|
Show InChI InChI=1S/C15H22N2O2/c1-18-5-3-11-7-15(11)12-6-14(9-16-8-12)19-10-13-2-4-17-13/h6,8-9,11,13,15,17H,2-5,7,10H2,1H3/t11-,13-,15-/m0/s1
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n/an/a 5.60n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha4beta2 nAChR expressed in SH-EP1 cells assessed as inhibition of carbamylcholine induced 86Rb+ ion efflux preincuba...


J Med Chem 55: 717-24 (2012)


Article DOI: 10.1021/jm201157c
BindingDB Entry DOI: 10.7270/Q21N8244
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Homo sapiens (Human))
BDBM50382466
PNG
(CHEMBL2024087)
Show SMILES OCC[C@H]1C[C@@H]1c1cncc(OC[C@@H]2CCN2)c1 |r|
Show InChI InChI=1S/C14H20N2O2/c17-4-2-10-6-14(10)11-5-13(8-15-7-11)18-9-12-1-3-16-12/h5,7-8,10,12,14,16-17H,1-4,6,9H2/t10-,12-,14-/m0/s1
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n/an/a 9.40n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha4beta2 nAChR expressed in SH-EP1 cells assessed as inhibition of carbamylcholine induced 86Rb+ ion efflux preincuba...


J Med Chem 55: 717-24 (2012)


Article DOI: 10.1021/jm201157c
BindingDB Entry DOI: 10.7270/Q21N8244
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Homo sapiens (Human))
BDBM50382467
PNG
(CHEMBL2024089)
Show SMILES CNC(=O)OCC[C@H]1C[C@@H]1c1cncc(OC[C@@H]2CCN2)c1 |r|
Show InChI InChI=1S/C16H23N3O3/c1-17-16(20)21-5-3-11-7-15(11)12-6-14(9-18-8-12)22-10-13-2-4-19-13/h6,8-9,11,13,15,19H,2-5,7,10H2,1H3,(H,17,20)/t11-,13-,15-/m0/s1
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n/an/a 18.2n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha4beta2 nAChR expressed in SH-EP1 cells assessed as inhibition of carbamylcholine induced 86Rb+ ion efflux preincuba...


J Med Chem 55: 717-24 (2012)


Article DOI: 10.1021/jm201157c
BindingDB Entry DOI: 10.7270/Q21N8244
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Homo sapiens (Human))
BDBM50382468
PNG
(CHEMBL2024090)
Show SMILES CN(C)C(=O)OCC[C@H]1C[C@@H]1c1cncc(OC[C@@H]2CCN2)c1 |r|
Show InChI InChI=1S/C17H25N3O3/c1-20(2)17(21)22-6-4-12-8-16(12)13-7-15(10-18-9-13)23-11-14-3-5-19-14/h7,9-10,12,14,16,19H,3-6,8,11H2,1-2H3/t12-,14-,16-/m0/s1
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n/an/a 19.1n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha4beta2 nAChR expressed in SH-EP1 cells assessed as inhibition of carbamylcholine induced 86Rb+ ion efflux preincuba...


J Med Chem 55: 717-24 (2012)


Article DOI: 10.1021/jm201157c
BindingDB Entry DOI: 10.7270/Q21N8244
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Homo sapiens (Human))
BDBM50382469
PNG
(CHEMBL2024091)
Show SMILES O=C(NC1CC1)OCC[C@H]1C[C@@H]1c1cncc(OC[C@@H]2CCN2)c1 |r|
Show InChI InChI=1S/C18H25N3O3/c22-18(21-14-1-2-14)23-6-4-12-8-17(12)13-7-16(10-19-9-13)24-11-15-3-5-20-15/h7,9-10,12,14-15,17,20H,1-6,8,11H2,(H,21,22)/t12-,15-,17-/m0/s1
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n/an/a 19.6n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha4beta2 nAChR expressed in SH-EP1 cells assessed as inhibition of carbamylcholine induced 86Rb+ ion efflux preincuba...


J Med Chem 55: 717-24 (2012)


Article DOI: 10.1021/jm201157c
BindingDB Entry DOI: 10.7270/Q21N8244
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Homo sapiens (Human))
BDBM50382470
PNG
(CHEMBL2024092)
Show SMILES O=C(OCC[C@H]1C[C@@H]1c1cncc(OC[C@@H]2CCN2)c1)N1CCCC1 |r|
Show InChI InChI=1S/C19H27N3O3/c23-19(22-6-1-2-7-22)24-8-4-14-10-18(14)15-9-17(12-20-11-15)25-13-16-3-5-21-16/h9,11-12,14,16,18,21H,1-8,10,13H2/t14-,16-,18-/m0/s1
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n/an/a 48.5n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha4beta2 nAChR expressed in SH-EP1 cells assessed as inhibition of carbamylcholine induced 86Rb+ ion efflux preincuba...


J Med Chem 55: 717-24 (2012)


Article DOI: 10.1021/jm201157c
BindingDB Entry DOI: 10.7270/Q21N8244
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Homo sapiens (Human))
BDBM50382471
PNG
(CHEMBL2024093)
Show SMILES O=C(Nc1ccccc1)OCC[C@H]1C[C@@H]1c1cncc(OC[C@@H]2CCN2)c1 |r|
Show InChI InChI=1S/C21H25N3O3/c25-21(24-17-4-2-1-3-5-17)26-9-7-15-11-20(15)16-10-19(13-22-12-16)27-14-18-6-8-23-18/h1-5,10,12-13,15,18,20,23H,6-9,11,14H2,(H,24,25)/t15-,18-,20-/m0/s1
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n/an/a 50.2n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha4beta2 nAChR expressed in SH-EP1 cells assessed as inhibition of carbamylcholine induced 86Rb+ ion efflux preincuba...


J Med Chem 55: 717-24 (2012)


Article DOI: 10.1021/jm201157c
BindingDB Entry DOI: 10.7270/Q21N8244
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Homo sapiens (Human))
BDBM50382473
PNG
(CHEMBL2024095)
Show SMILES COCC[C@@H]1C[C@H]1c1cncc(OC[C@@H]2CCN2)c1 |r|
Show InChI InChI=1S/C15H22N2O2/c1-18-5-3-11-7-15(11)12-6-14(9-16-8-12)19-10-13-2-4-17-13/h6,8-9,11,13,15,17H,2-5,7,10H2,1H3/t11-,13+,15-/m1/s1
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n/an/a 50.4n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha4beta2 nAChR expressed in SH-EP1 cells assessed as inhibition of carbamylcholine induced 86Rb+ ion efflux preincuba...


J Med Chem 55: 717-24 (2012)


Article DOI: 10.1021/jm201157c
BindingDB Entry DOI: 10.7270/Q21N8244
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Homo sapiens (Human))
BDBM50382465
PNG
(CHEMBL2024088)
Show SMILES OCC[C@@H]1C[C@H]1c1cncc(OC[C@@H]2CCN2)c1 |r|
Show InChI InChI=1S/C14H20N2O2/c17-4-2-10-6-14(10)11-5-13(8-15-7-11)18-9-12-1-3-16-12/h5,7-8,10,12,14,16-17H,1-4,6,9H2/t10-,12+,14-/m1/s1
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n/an/a 50.9n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha4beta2 nAChR expressed in SH-EP1 cells assessed as inhibition of carbamylcholine induced 86Rb+ ion efflux preincuba...


J Med Chem 55: 717-24 (2012)


Article DOI: 10.1021/jm201157c
BindingDB Entry DOI: 10.7270/Q21N8244
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Homo sapiens (Human))
BDBM82070
PNG
(CAS_29790-52-1 | NICOTINE-L (BASE) | Nicotine-D sa...)
Show SMILES CN1CCC[C@H]1c1cccnc1 |r|
Show InChI InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1
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n/an/a 430n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha4beta2 nAChR expressed in SH-EP1 cells assessed as inhibition of carbamylcholine induced 86Rb+ ion efflux preincuba...


J Med Chem 55: 717-24 (2012)


Article DOI: 10.1021/jm201157c
BindingDB Entry DOI: 10.7270/Q21N8244
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Metabotropic glutamate receptor 2


(Rattus norvegicus)
BDBM50052398
PNG
((2R,4R)-4-aminopyrrolidine-2,4-dicarboxylic acid |...)
Show SMILES N[C@]1(CN[C@H](C1)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C6H10N2O4/c7-6(5(11)12)1-3(4(9)10)8-2-6/h3,8H,1-2,7H2,(H,9,10)(H,11,12)/t3-,6-/m1/s1
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n/an/an/an/a 200n/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Agonistic activity evaluated in CHO(Chinese hamster ovary) cells expressing mGluR2 receptor


Bioorg Med Chem Lett 9: 1721-6 (1999)


BindingDB Entry DOI: 10.7270/Q2V69K37
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Rattus norvegicus)
BDBM50078596
PNG
((2R,4R)-1,4-Diamino-pyrrolidine-2,4-dicarboxylic a...)
Show SMILES NN1C[C@](N)(C[C@@H]1C(O)=O)C(O)=O
Show InChI InChI=1S/C6H11N3O4/c7-6(5(12)13)1-3(4(10)11)9(8)2-6/h3H,1-2,7-8H2,(H,10,11)(H,12,13)/t3-,6-/m1/s1
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n/an/an/an/a 4.80E+3n/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Agonistic activity evaluated in CHO(Chinese hamster ovary) cells expressing mGluR2 receptor


Bioorg Med Chem Lett 9: 1721-6 (1999)


BindingDB Entry DOI: 10.7270/Q2V69K37
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Rattus norvegicus)
BDBM66976
PNG
((1S,3R)-1-aminocyclopentane-1,3-dicarboxylic acid;...)
Show SMILES N[C@]1(CC[C@H](C1)C(O)=O)C(O)=O
Show InChI InChI=1S/C7H11NO4/c8-7(6(11)12)2-1-4(3-7)5(9)10/h4H,1-3,8H2,(H,9,10)(H,11,12)/t4-,7+/m1/s1
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n/an/an/an/a 2.10E+3n/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Agonistic activity evaluated in CHO(Chinese hamster ovary) cells expressing mGluR2 receptor


Bioorg Med Chem Lett 9: 1721-6 (1999)


BindingDB Entry DOI: 10.7270/Q2V69K37
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Rattus norvegicus)
BDBM17657
PNG
((2S)-2-aminopentanedioic acid | (S)-Glu | D-Glutam...)
Show SMILES N[C@@H](CCC(O)=O)C(O)=O
Show InChI InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1
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n/an/an/an/a 610n/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Agonistic activity evaluated in CHO(Chinese hamster ovary) cells expressing mGluR2 receptor


Bioorg Med Chem Lett 9: 1721-6 (1999)


BindingDB Entry DOI: 10.7270/Q2V69K37
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 3


(Homo sapiens (Human))
BDBM50052398
PNG
((2R,4R)-4-aminopyrrolidine-2,4-dicarboxylic acid |...)
Show SMILES N[C@]1(CN[C@H](C1)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C6H10N2O4/c7-6(5(11)12)1-3(4(9)10)8-2-6/h3,8H,1-2,7H2,(H,9,10)(H,11,12)/t3-,6-/m1/s1
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n/an/an/an/a 3.00E+3n/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Agonistic activity evaluated in CHO(Chinese hamster ovary) cells expressing chimeric mGluR3/1a receptor


Bioorg Med Chem Lett 9: 1721-6 (1999)


BindingDB Entry DOI: 10.7270/Q2V69K37
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Metabotropic glutamate receptor 3


(Homo sapiens (Human))
BDBM17657
PNG
((2S)-2-aminopentanedioic acid | (S)-Glu | D-Glutam...)
Show SMILES N[C@@H](CCC(O)=O)C(O)=O
Show InChI InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1
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n/an/an/an/a 2.50E+3n/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Agonistic activity evaluated in CHO(Chinese hamster ovary) cells expressing chimeric mGluR3/1a receptor


Bioorg Med Chem Lett 9: 1721-6 (1999)


BindingDB Entry DOI: 10.7270/Q2V69K37
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 3


(Homo sapiens (Human))
BDBM50078596
PNG
((2R,4R)-1,4-Diamino-pyrrolidine-2,4-dicarboxylic a...)
Show SMILES NN1C[C@](N)(C[C@@H]1C(O)=O)C(O)=O
Show InChI InChI=1S/C6H11N3O4/c7-6(5(12)13)1-3(4(10)11)9(8)2-6/h3H,1-2,7-8H2,(H,10,11)(H,12,13)/t3-,6-/m1/s1
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n/an/an/an/a 5.20E+4n/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Agonistic activity evaluated in CHO(Chinese hamster ovary) cells expressing chimeric mGluR3/1a receptor


Bioorg Med Chem Lett 9: 1721-6 (1999)


BindingDB Entry DOI: 10.7270/Q2V69K37
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 3


(Homo sapiens (Human))
BDBM66976
PNG
((1S,3R)-1-aminocyclopentane-1,3-dicarboxylic acid;...)
Show SMILES N[C@]1(CC[C@H](C1)C(O)=O)C(O)=O
Show InChI InChI=1S/C7H11NO4/c8-7(6(11)12)2-1-4(3-7)5(9)10/h4H,1-3,8H2,(H,9,10)(H,11,12)/t4-,7+/m1/s1
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n/an/an/an/a 3.00E+4n/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Agonistic activity evaluated in CHO(Chinese hamster ovary) cells expressing chimeric mGluR3/1a receptor


Bioorg Med Chem Lett 9: 1721-6 (1999)


BindingDB Entry DOI: 10.7270/Q2V69K37
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM26431
PNG
((2R)-2-aminopentanedioic acid | CHEMBL76232 | D-Gl...)
Show SMILES N[C@H](CCC(O)=O)C(O)=O
Show InChI InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m1/s1
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n/an/an/an/a 3.10E+3n/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of Metabotropic glutamate receptor 5


J Med Chem 41: 1641-50 (1998)


Article DOI: 10.1021/jm970719q
BindingDB Entry DOI: 10.7270/Q27945BZ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50064245
PNG
((1R,2S,4R,5S)-2-Amino-bicyclo[2.1.1]hexane-2,5-dic...)
Show SMILES N[C@]1(C[C@H]2C[C@@H]1[C@H]2C(O)=O)C(O)=O
Show InChI InChI=1S/C8H11NO4/c9-8(7(12)13)2-3-1-4(8)5(3)6(10)11/h3-5H,1-2,9H2,(H,10,11)(H,12,13)/t3-,4-,5+,8+/m1/s1
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n/an/an/an/a>1.00E+6n/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of Metabotropic glutamate receptor 1


J Med Chem 41: 1641-50 (1998)


Article DOI: 10.1021/jm970719q
BindingDB Entry DOI: 10.7270/Q27945BZ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 3


(Homo sapiens (Human))
BDBM50004863
PNG
((+/-)-trans-ACPD | (1S,3S)-1-Amino-cyclopentane-1,...)
Show SMILES N[C@]1(CC[C@@H](C1)C(O)=O)C(O)=O
Show InChI InChI=1S/C7H11NO4/c8-7(6(11)12)2-1-4(3-7)5(9)10/h4H,1-3,8H2,(H,9,10)(H,11,12)/t4-,7-/m0/s1
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n/an/an/an/a 3.00E+4n/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of Metabotropic glutamate receptor 3 (mGluR3)


J Med Chem 41: 1641-50 (1998)


Article DOI: 10.1021/jm970719q
BindingDB Entry DOI: 10.7270/Q27945BZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Metabotropic glutamate receptor 4


(Homo sapiens (Human))
BDBM50064246
PNG
((1R,2S,4R,5R)-2-Amino-bicyclo[2.1.1]hexane-2,5-dic...)
Show SMILES N[C@]1(C[C@H]2C[C@@H]1[C@@H]2C(O)=O)C(O)=O
Show InChI InChI=1S/C8H11NO4/c9-8(7(12)13)2-3-1-4(8)5(3)6(10)11/h3-5H,1-2,9H2,(H,10,11)(H,12,13)/t3-,4-,5-,8+/m1/s1
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n/an/an/an/a 1.00E+6n/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of Metabotropic glutamate receptor 4


J Med Chem 41: 1641-50 (1998)


Article DOI: 10.1021/jm970719q
BindingDB Entry DOI: 10.7270/Q27945BZ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 6


(Homo sapiens (Human))
BDBM50004051
PNG
(2-Amino-4-phosphono-butyric acid | 2-Amino-4-phosp...)
Show SMILES NC(CCP(O)(O)=O)C(O)=O
Show InChI InChI=1S/C4H10NO5P/c5-3(4(6)7)1-2-11(8,9)10/h3H,1-2,5H2,(H,6,7)(H2,8,9,10)
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n/an/an/an/a 280n/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of Metabotropic glutamate receptor 6


J Med Chem 41: 1641-50 (1998)


Article DOI: 10.1021/jm970719q
BindingDB Entry DOI: 10.7270/Q27945BZ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50004863
PNG
((+/-)-trans-ACPD | (1S,3S)-1-Amino-cyclopentane-1,...)
Show SMILES N[C@]1(CC[C@@H](C1)C(O)=O)C(O)=O
Show InChI InChI=1S/C7H11NO4/c8-7(6(11)12)2-1-4(3-7)5(9)10/h4H,1-3,8H2,(H,9,10)(H,11,12)/t4-,7-/m0/s1
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n/an/an/an/a>3.00E+5n/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of Metabotropic glutamate receptor 1


J Med Chem 41: 1641-50 (1998)


Article DOI: 10.1021/jm970719q
BindingDB Entry DOI: 10.7270/Q27945BZ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50064247
PNG
((1S,2S,4S,5R)-2-Amino-bicyclo[2.1.1]hexane-2,5-dic...)
Show SMILES N[C@]1(C[C@@H]2C[C@H]1[C@@H]2C(O)=O)C(O)=O
Show InChI InChI=1S/C8H11NO4/c9-8(7(12)13)2-3-1-4(8)5(3)6(10)11/h3-5H,1-2,9H2,(H,10,11)(H,12,13)/t3-,4-,5+,8-/m0/s1
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n/an/an/an/a 3.80E+4n/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of metabotropic glutamate receptor 2 (mGluR2).


J Med Chem 41: 1641-50 (1998)


Article DOI: 10.1021/jm970719q
BindingDB Entry DOI: 10.7270/Q27945BZ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 6


(Homo sapiens (Human))
BDBM26431
PNG
((2R)-2-aminopentanedioic acid | CHEMBL76232 | D-Gl...)
Show SMILES N[C@H](CCC(O)=O)C(O)=O
Show InChI InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m1/s1
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n/an/an/an/a 4.90E+3n/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of Metabotropic glutamate receptor 6


J Med Chem 41: 1641-50 (1998)


Article DOI: 10.1021/jm970719q
BindingDB Entry DOI: 10.7270/Q27945BZ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50004863
PNG
((+/-)-trans-ACPD | (1S,3S)-1-Amino-cyclopentane-1,...)
Show SMILES N[C@]1(CC[C@@H](C1)C(O)=O)C(O)=O
Show InChI InChI=1S/C7H11NO4/c8-7(6(11)12)2-1-4(3-7)5(9)10/h4H,1-3,8H2,(H,9,10)(H,11,12)/t4-,7-/m0/s1
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n/an/an/an/a 1.30E+4n/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of metabotropic glutamate receptor 2 (mGluR2).


J Med Chem 41: 1641-50 (1998)


Article DOI: 10.1021/jm970719q
BindingDB Entry DOI: 10.7270/Q27945BZ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 6


(Homo sapiens (Human))
BDBM50064246
PNG
((1R,2S,4R,5R)-2-Amino-bicyclo[2.1.1]hexane-2,5-dic...)
Show SMILES N[C@]1(C[C@H]2C[C@@H]1[C@@H]2C(O)=O)C(O)=O
Show InChI InChI=1S/C8H11NO4/c9-8(7(12)13)2-3-1-4(8)5(3)6(10)11/h3-5H,1-2,9H2,(H,10,11)(H,12,13)/t3-,4-,5-,8+/m1/s1
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n/an/an/an/a 8.00E+5n/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of Metabotropic glutamate receptor 6


J Med Chem 41: 1641-50 (1998)


Article DOI: 10.1021/jm970719q
BindingDB Entry DOI: 10.7270/Q27945BZ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM66976
PNG
((1S,3R)-1-aminocyclopentane-1,3-dicarboxylic acid;...)
Show SMILES N[C@]1(CC[C@H](C1)C(O)=O)C(O)=O
Show InChI InChI=1S/C7H11NO4/c8-7(6(11)12)2-1-4(3-7)5(9)10/h4H,1-3,8H2,(H,9,10)(H,11,12)/t4-,7+/m1/s1
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n/an/an/an/a 2.00E+3n/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of metabotropic glutamate receptor 2 (mGluR2).


J Med Chem 41: 1641-50 (1998)


Article DOI: 10.1021/jm970719q
BindingDB Entry DOI: 10.7270/Q27945BZ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50064248
PNG
((1S,2S,4S,5S)-2-Amino-bicyclo[2.1.1]hexane-2,5-dic...)
Show SMILES N[C@]1(C[C@@H]2C[C@H]1[C@H]2C(O)=O)C(O)=O
Show InChI InChI=1S/C8H11NO4/c9-8(7(12)13)2-3-1-4(8)5(3)6(10)11/h3-5H,1-2,9H2,(H,10,11)(H,12,13)/t3-,4-,5-,8-/m0/s1
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n/an/an/an/a 330n/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of metabotropic glutamate receptor 2 (mGluR2).


J Med Chem 41: 1641-50 (1998)


Article DOI: 10.1021/jm970719q
BindingDB Entry DOI: 10.7270/Q27945BZ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50064246
PNG
((1R,2S,4R,5R)-2-Amino-bicyclo[2.1.1]hexane-2,5-dic...)
Show SMILES N[C@]1(C[C@H]2C[C@@H]1[C@@H]2C(O)=O)C(O)=O
Show InChI InChI=1S/C8H11NO4/c9-8(7(12)13)2-3-1-4(8)5(3)6(10)11/h3-5H,1-2,9H2,(H,10,11)(H,12,13)/t3-,4-,5-,8+/m1/s1
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n/an/an/an/a 5.40E+4n/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of metabotropic glutamate receptor 2 (mGluR2).


J Med Chem 41: 1641-50 (1998)


Article DOI: 10.1021/jm970719q
BindingDB Entry DOI: 10.7270/Q27945BZ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4


(Homo sapiens (Human))
BDBM50004051
PNG
(2-Amino-4-phosphono-butyric acid | 2-Amino-4-phosp...)
Show SMILES NC(CCP(O)(O)=O)C(O)=O
Show InChI InChI=1S/C4H10NO5P/c5-3(4(6)7)1-2-11(8,9)10/h3H,1-2,5H2,(H,6,7)(H2,8,9,10)
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n/an/an/an/a 330n/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of Metabotropic glutamate receptor 4


J Med Chem 41: 1641-50 (1998)


Article DOI: 10.1021/jm970719q
BindingDB Entry DOI: 10.7270/Q27945BZ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 3


(Homo sapiens (Human))
BDBM50056272
PNG
((1S,2S,5R,6S)-2-Amino-bicyclo[3.1.0]hexane-2,6-dic...)
Show SMILES N[C@]1(CC[C@H]2[C@@H]([C@@H]12)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C8H11NO4/c9-8(7(12)13)2-1-3-4(5(3)8)6(10)11/h3-5H,1-2,9H2,(H,10,11)(H,12,13)/t3-,4-,5-,8-/m0/s1
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n/an/an/an/a 24n/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Agonistic activity against Human Metabotropic glutamate receptor 3


J Med Chem 41: 1641-50 (1998)


Article DOI: 10.1021/jm970719q
BindingDB Entry DOI: 10.7270/Q27945BZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50004863
PNG
((+/-)-trans-ACPD | (1S,3S)-1-Amino-cyclopentane-1,...)
Show SMILES N[C@]1(CC[C@@H](C1)C(O)=O)C(O)=O
Show InChI InChI=1S/C7H11NO4/c8-7(6(11)12)2-1-4(3-7)5(9)10/h4H,1-3,8H2,(H,9,10)(H,11,12)/t4-,7-/m0/s1
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n/an/an/an/a>3.00E+5n/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of Metabotropic glutamate receptor 5


J Med Chem 41: 1641-50 (1998)


Article DOI: 10.1021/jm970719q
BindingDB Entry DOI: 10.7270/Q27945BZ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 6


(Homo sapiens (Human))
BDBM50064247
PNG
((1S,2S,4S,5R)-2-Amino-bicyclo[2.1.1]hexane-2,5-dic...)
Show SMILES N[C@]1(C[C@@H]2C[C@H]1[C@@H]2C(O)=O)C(O)=O
Show InChI InChI=1S/C8H11NO4/c9-8(7(12)13)2-3-1-4(8)5(3)6(10)11/h3-5H,1-2,9H2,(H,10,11)(H,12,13)/t3-,4-,5+,8-/m0/s1
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n/an/an/an/a>1.00E+6n/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of Metabotropic glutamate receptor 6


J Med Chem 41: 1641-50 (1998)


Article DOI: 10.1021/jm970719q
BindingDB Entry DOI: 10.7270/Q27945BZ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4


(Homo sapiens (Human))
BDBM66976
PNG
((1S,3R)-1-aminocyclopentane-1,3-dicarboxylic acid;...)
Show SMILES N[C@]1(CC[C@H](C1)C(O)=O)C(O)=O
Show InChI InChI=1S/C7H11NO4/c8-7(6(11)12)2-1-4(3-7)5(9)10/h4H,1-3,8H2,(H,9,10)(H,11,12)/t4-,7+/m1/s1
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n/an/an/an/a 8.00E+5n/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of Metabotropic glutamate receptor 4


J Med Chem 41: 1641-50 (1998)


Article DOI: 10.1021/jm970719q
BindingDB Entry DOI: 10.7270/Q27945BZ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50064248
PNG
((1S,2S,4S,5S)-2-Amino-bicyclo[2.1.1]hexane-2,5-dic...)
Show SMILES N[C@]1(C[C@@H]2C[C@H]1[C@H]2C(O)=O)C(O)=O
Show InChI InChI=1S/C8H11NO4/c9-8(7(12)13)2-3-1-4(8)5(3)6(10)11/h3-5H,1-2,9H2,(H,10,11)(H,12,13)/t3-,4-,5-,8-/m0/s1
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n/an/an/an/a 1.60E+3n/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of Metabotropic glutamate receptor 1


J Med Chem 41: 1641-50 (1998)


Article DOI: 10.1021/jm970719q
BindingDB Entry DOI: 10.7270/Q27945BZ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50064245
PNG
((1R,2S,4R,5S)-2-Amino-bicyclo[2.1.1]hexane-2,5-dic...)
Show SMILES N[C@]1(C[C@H]2C[C@@H]1[C@H]2C(O)=O)C(O)=O
Show InChI InChI=1S/C8H11NO4/c9-8(7(12)13)2-3-1-4(8)5(3)6(10)11/h3-5H,1-2,9H2,(H,10,11)(H,12,13)/t3-,4-,5+,8+/m1/s1
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n/an/an/an/a>1.00E+6n/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of Metabotropic glutamate receptor 5


J Med Chem 41: 1641-50 (1998)


Article DOI: 10.1021/jm970719q
BindingDB Entry DOI: 10.7270/Q27945BZ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM26431
PNG
((2R)-2-aminopentanedioic acid | CHEMBL76232 | D-Gl...)
Show SMILES N[C@H](CCC(O)=O)C(O)=O
Show InChI InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m1/s1
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n/an/an/an/a 290n/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of metabotropic glutamate receptor 2 (mGluR2).


J Med Chem 41: 1641-50 (1998)


Article DOI: 10.1021/jm970719q
BindingDB Entry DOI: 10.7270/Q27945BZ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4


(Homo sapiens (Human))
BDBM50004863
PNG
((+/-)-trans-ACPD | (1S,3S)-1-Amino-cyclopentane-1,...)
Show SMILES N[C@]1(CC[C@@H](C1)C(O)=O)C(O)=O
Show InChI InChI=1S/C7H11NO4/c8-7(6(11)12)2-1-4(3-7)5(9)10/h4H,1-3,8H2,(H,9,10)(H,11,12)/t4-,7-/m0/s1
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n/an/an/an/a 5.00E+4n/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of Metabotropic glutamate receptor 4


J Med Chem 41: 1641-50 (1998)


Article DOI: 10.1021/jm970719q
BindingDB Entry DOI: 10.7270/Q27945BZ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM26431
PNG
((2R)-2-aminopentanedioic acid | CHEMBL76232 | D-Gl...)
Show SMILES N[C@H](CCC(O)=O)C(O)=O
Show InChI InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m1/s1
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n/an/an/an/a 4.90E+3n/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of Metabotropic glutamate receptor 1


J Med Chem 41: 1641-50 (1998)


Article DOI: 10.1021/jm970719q
BindingDB Entry DOI: 10.7270/Q27945BZ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4


(Homo sapiens (Human))
BDBM50064247
PNG
((1S,2S,4S,5R)-2-Amino-bicyclo[2.1.1]hexane-2,5-dic...)
Show SMILES N[C@]1(C[C@@H]2C[C@H]1[C@@H]2C(O)=O)C(O)=O
Show InChI InChI=1S/C8H11NO4/c9-8(7(12)13)2-3-1-4(8)5(3)6(10)11/h3-5H,1-2,9H2,(H,10,11)(H,12,13)/t3-,4-,5+,8-/m0/s1
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n/an/an/an/a>1.00E+6n/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of Metabotropic glutamate receptor 4


J Med Chem 41: 1641-50 (1998)


Article DOI: 10.1021/jm970719q
BindingDB Entry DOI: 10.7270/Q27945BZ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 6


(Homo sapiens (Human))
BDBM50064248
PNG
((1S,2S,4S,5S)-2-Amino-bicyclo[2.1.1]hexane-2,5-dic...)
Show SMILES N[C@]1(C[C@@H]2C[C@H]1[C@H]2C(O)=O)C(O)=O
Show InChI InChI=1S/C8H11NO4/c9-8(7(12)13)2-3-1-4(8)5(3)6(10)11/h3-5H,1-2,9H2,(H,10,11)(H,12,13)/t3-,4-,5-,8-/m0/s1
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n/an/an/an/a 5.30E+3n/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of Metabotropic glutamate receptor 6


J Med Chem 41: 1641-50 (1998)


Article DOI: 10.1021/jm970719q
BindingDB Entry DOI: 10.7270/Q27945BZ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 6


(Homo sapiens (Human))
BDBM66976
PNG
((1S,3R)-1-aminocyclopentane-1,3-dicarboxylic acid;...)
Show SMILES N[C@]1(CC[C@H](C1)C(O)=O)C(O)=O
Show InChI InChI=1S/C7H11NO4/c8-7(6(11)12)2-1-4(3-7)5(9)10/h4H,1-3,8H2,(H,9,10)(H,11,12)/t4-,7+/m1/s1
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n/an/an/an/a 8.20E+4n/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of Metabotropic glutamate receptor 6


J Med Chem 41: 1641-50 (1998)


Article DOI: 10.1021/jm970719q
BindingDB Entry DOI: 10.7270/Q27945BZ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4


(Homo sapiens (Human))
BDBM50064245
PNG
((1R,2S,4R,5S)-2-Amino-bicyclo[2.1.1]hexane-2,5-dic...)
Show SMILES N[C@]1(C[C@H]2C[C@@H]1[C@H]2C(O)=O)C(O)=O
Show InChI InChI=1S/C8H11NO4/c9-8(7(12)13)2-3-1-4(8)5(3)6(10)11/h3-5H,1-2,9H2,(H,10,11)(H,12,13)/t3-,4-,5+,8+/m1/s1
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n/an/an/an/a>1.00E+6n/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of Metabotropic glutamate receptor 4


J Med Chem 41: 1641-50 (1998)


Article DOI: 10.1021/jm970719q
BindingDB Entry DOI: 10.7270/Q27945BZ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM66976
PNG
((1S,3R)-1-aminocyclopentane-1,3-dicarboxylic acid;...)
Show SMILES N[C@]1(CC[C@H](C1)C(O)=O)C(O)=O
Show InChI InChI=1S/C7H11NO4/c8-7(6(11)12)2-1-4(3-7)5(9)10/h4H,1-3,8H2,(H,9,10)(H,11,12)/t4-,7+/m1/s1
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n/an/an/an/a 1.50E+4n/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of Metabotropic glutamate receptor 1


J Med Chem 41: 1641-50 (1998)


Article DOI: 10.1021/jm970719q
BindingDB Entry DOI: 10.7270/Q27945BZ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50064247
PNG
((1S,2S,4S,5R)-2-Amino-bicyclo[2.1.1]hexane-2,5-dic...)
Show SMILES N[C@]1(C[C@@H]2C[C@H]1[C@@H]2C(O)=O)C(O)=O
Show InChI InChI=1S/C8H11NO4/c9-8(7(12)13)2-3-1-4(8)5(3)6(10)11/h3-5H,1-2,9H2,(H,10,11)(H,12,13)/t3-,4-,5+,8-/m0/s1
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n/an/an/an/a 9.10E+4n/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of Metabotropic glutamate receptor 5


J Med Chem 41: 1641-50 (1998)


Article DOI: 10.1021/jm970719q
BindingDB Entry DOI: 10.7270/Q27945BZ
More data for this
Ligand-Target Pair
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