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Compile Data Set for Download or QSAR

Found 422 hits with Last Name = 'bertrand' and Initial = 'ho'   
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 1


(RAT)
BDBM17660
PNG
((2S)-2-amino-3-(3,5-dioxo-1,2,4-oxadiazolidin-2-yl...)
Show SMILES N[C@@H](Cn1oc(=O)[nH]c1=O)C(O)=O
Show InChI InChI=1S/C5H7N3O5/c6-2(3(9)10)1-8-4(11)7-5(12)13-8/h2H,1,6H2,(H,9,10)(H,7,11,12)/t2-/m0/s1
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10n/an/an/an/an/an/an/an/a



Parc Club Orsay Universit£

Curated by ChEMBL


Assay Description
Binding affinity at Metabotropic glutamate receptor 1


J Med Chem 45: 3171-83 (2002)


BindingDB Entry DOI: 10.7270/Q2B27W18
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Metabotropic glutamate receptor 2


(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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13n/an/an/an/an/an/an/an/a



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Curated by ChEMBL


Assay Description
Binding affinity at Metabotropic glutamate receptor 2


J Med Chem 45: 3171-83 (2002)


BindingDB Entry DOI: 10.7270/Q2B27W18
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50034503
PNG
((1R,2R)-3-((S)-Amino-carboxy-methyl)-cyclopropane-...)
Show SMILES N[C@@H](C1[C@H]([C@@H]1C(O)=O)C(O)=O)C(O)=O
Show InChI InChI=1S/C7H9NO6/c8-4(7(13)14)1-2(5(9)10)3(1)6(11)12/h1-4H,8H2,(H,9,10)(H,11,12)(H,13,14)/t2-,3-,4+/m1/s1
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110n/an/an/an/an/an/an/an/a



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Curated by ChEMBL


Assay Description
Binding affinity at Metabotropic glutamate receptor 2


J Med Chem 45: 3171-83 (2002)


BindingDB Entry DOI: 10.7270/Q2B27W18
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(RAT)
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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340n/an/an/an/an/an/an/an/a



Parc Club Orsay Universit£

Curated by ChEMBL


Assay Description
Binding affinity at Metabotropic glutamate receptor 1


J Med Chem 45: 3171-83 (2002)


BindingDB Entry DOI: 10.7270/Q2B27W18
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4


(Homo sapiens (Human))
BDBM50007548
PNG
((S)-2-Amino-4-phosphono-butyric acid | (S)-2-amino...)
Show SMILES N[C@@H](CCP(O)(O)=O)C(O)=O |r|
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)/t3-/m0/s1
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470n/an/an/an/an/an/an/an/a



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Curated by ChEMBL


Assay Description
Binding affinity at Metabotropic glutamate receptor 4


J Med Chem 45: 3171-83 (2002)


BindingDB Entry DOI: 10.7270/Q2B27W18
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(RAT)
BDBM50079183
PNG
((2S)-amino(3,5-dihydroxyphenyl)ethanoic acid | (S)...)
Show SMILES N[C@H](C(O)=O)c1cc(O)cc(O)c1
Show InChI InChI=1S/C8H9NO4/c9-7(8(12)13)4-1-5(10)3-6(11)2-4/h1-3,7,10-11H,9H2,(H,12,13)/t7-/m0/s1
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900n/an/an/an/an/an/an/an/a



Parc Club Orsay Universit£

Curated by ChEMBL


Assay Description
Binding affinity at Metabotropic glutamate receptor 1


J Med Chem 45: 3171-83 (2002)


BindingDB Entry DOI: 10.7270/Q2B27W18
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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1.20E+3n/an/an/an/an/an/an/an/a



Parc Club Orsay Universit£

Curated by ChEMBL


Assay Description
Binding affinity at Metabotropic glutamate receptor 2


J Med Chem 45: 3171-83 (2002)


BindingDB Entry DOI: 10.7270/Q2B27W18
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4


(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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1.60E+3n/an/an/an/an/an/an/an/a



Parc Club Orsay Universit£

Curated by ChEMBL


Assay Description
Binding affinity at Metabotropic glutamate receptor 4


J Med Chem 45: 3171-83 (2002)


BindingDB Entry DOI: 10.7270/Q2B27W18
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(RAT)
BDBM50053588
PNG
((S)-4-(amino(carboxy)methyl)benzoic acid | (S)-4-c...)
Show SMILES N[C@H](C(O)=O)c1ccc(cc1)C(O)=O |r|
Show InChI InChI=1S/C9H9NO4/c10-7(9(13)14)5-1-3-6(4-2-5)8(11)12/h1-4,7H,10H2,(H,11,12)(H,13,14)/t7-/m0/s1
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3.70E+3n/an/an/an/an/an/an/an/a



Parc Club Orsay Universit£

Curated by ChEMBL


Assay Description
Binding affinity at Metabotropic glutamate receptor 1


J Med Chem 45: 3171-83 (2002)


BindingDB Entry DOI: 10.7270/Q2B27W18
More data for this
Ligand-Target Pair
Sialin


(Homo sapiens)
BDBM50545752
PNG
(CHEMBL4646356)
Show SMILES OC(=O)[C@H](CSCc1cc(=O)oc2cc(O)ccc12)NC(=O)OCC1c2ccccc2-c2ccccc12 |r|
Show InChI InChI=1S/C28H23NO7S/c30-17-9-10-18-16(11-26(31)36-25(18)12-17)14-37-15-24(27(32)33)29-28(34)35-13-23-21-7-3-1-5-19(21)20-6-2-4-8-22(20)23/h1-12,23-24,30H,13-15H2,(H,29,34)(H,32,33)/t24-/m0/s1
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7.80E+3n/an/an/an/an/an/an/an/a



Universit£ de Paris

Curated by ChEMBL


Assay Description
Non-competitive inhibition of human recombinant-Sialin expressed in HEK293 cells assessed as reduction in [3H]Neu5Ac uptake incubated for 15 mins by ...


J Med Chem 63: 8231-8249 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02119
BindingDB Entry DOI: 10.7270/Q2PG1WB8
More data for this
Ligand-Target Pair
Sialin


(Homo sapiens)
BDBM115093
PNG
((2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-met...)
Show SMILES CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc12)C(O)=O
Show InChI InChI=1S/C21H23NO4/c1-13(2)11-19(20(23)24)22-21(25)26-12-18-16-9-5-3-7-14(16)15-8-4-6-10-17(15)18/h3-10,13,18-19H,11-12H2,1-2H3,(H,22,25)(H,23,24)/t19-/m0/s1
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1.02E+4n/an/an/an/an/an/an/an/a



Universit£ de Paris

Curated by ChEMBL


Assay Description
Non-competitive inhibition of human recombinant-Sialin expressed in HEK293 cells assessed as reduction in [3H]Neu5Ac uptake incubated for 15 mins by ...


J Med Chem 63: 8231-8249 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02119
BindingDB Entry DOI: 10.7270/Q2PG1WB8
More data for this
Ligand-Target Pair
Sialin


(Homo sapiens)
BDBM50286804
PNG
((R)-2-[(R)-2-{(S)-2-[(Azepane-1-carbonyl)-amino]-4...)
Show SMILES CC(C)C[C@H](NC(=O)N1CCCCCC1)C(=O)N[C@H](Cc1cn(C)c2ccccc12)C(=O)N[C@H](Cc1ccccn1)C(O)=O
Show InChI InChI=1S/C33H44N6O5/c1-22(2)18-26(37-33(44)39-16-10-4-5-11-17-39)30(40)35-27(19-23-21-38(3)29-14-7-6-13-25(23)29)31(41)36-28(32(42)43)20-24-12-8-9-15-34-24/h6-9,12-15,21-22,26-28H,4-5,10-11,16-20H2,1-3H3,(H,35,40)(H,36,41)(H,37,44)(H,42,43)/t26-,27+,28+/m0/s1
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2.00E+4n/an/an/an/an/an/an/an/a



Universit£ de Paris

Curated by ChEMBL


Assay Description
Inhibition of human recombinant-Sialin expressed in HEK293 cells assessed as reduction in [3H]Neu5Ac uptake at 30 to 300 uM incubated for 15 mins by ...


J Med Chem 63: 8231-8249 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02119
BindingDB Entry DOI: 10.7270/Q2PG1WB8
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4


(Homo sapiens (Human))
BDBM17660
PNG
((2S)-2-amino-3-(3,5-dioxo-1,2,4-oxadiazolidin-2-yl...)
Show SMILES N[C@@H](Cn1oc(=O)[nH]c1=O)C(O)=O
Show InChI InChI=1S/C5H7N3O5/c6-2(3(9)10)1-8-4(11)7-5(12)13-8/h2H,1,6H2,(H,9,10)(H,7,11,12)/t2-/m0/s1
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1.12E+5n/an/an/an/an/an/an/an/a



Parc Club Orsay Universit£

Curated by ChEMBL


Assay Description
Binding affinity at Metabotropic glutamate receptor 4


J Med Chem 45: 3171-83 (2002)


BindingDB Entry DOI: 10.7270/Q2B27W18
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM17660
PNG
((2S)-2-amino-3-(3,5-dioxo-1,2,4-oxadiazolidin-2-yl...)
Show SMILES N[C@@H](Cn1oc(=O)[nH]c1=O)C(O)=O
Show InChI InChI=1S/C5H7N3O5/c6-2(3(9)10)1-8-4(11)7-5(12)13-8/h2H,1,6H2,(H,9,10)(H,7,11,12)/t2-/m0/s1
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1.13E+5n/an/an/an/an/an/an/an/a



Parc Club Orsay Universit£

Curated by ChEMBL


Assay Description
Binding affinity at Metabotropic glutamate receptor 2


J Med Chem 45: 3171-83 (2002)


BindingDB Entry DOI: 10.7270/Q2B27W18
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50007548
PNG
((S)-2-Amino-4-phosphono-butyric acid | (S)-2-amino...)
Show SMILES N[C@@H](CCP(O)(O)=O)C(O)=O |r|
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)/t3-/m0/s1
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1.29E+5n/an/an/an/an/an/an/an/a



Parc Club Orsay Universit£

Curated by ChEMBL


Assay Description
Binding affinity at Metabotropic glutamate receptor 2


J Med Chem 45: 3171-83 (2002)


BindingDB Entry DOI: 10.7270/Q2B27W18
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4


(Homo sapiens (Human))
BDBM50053588
PNG
((S)-4-(amino(carboxy)methyl)benzoic acid | (S)-4-c...)
Show SMILES N[C@H](C(O)=O)c1ccc(cc1)C(O)=O |r|
Show InChI InChI=1S/C9H9NO4/c10-7(9(13)14)5-1-3-6(4-2-5)8(11)12/h1-4,7H,10H2,(H,11,12)(H,13,14)/t7-/m0/s1
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8.38E+5n/an/an/an/an/an/an/an/a



Parc Club Orsay Universit£

Curated by ChEMBL


Assay Description
Binding affinity at Metabotropic glutamate receptor 4


J Med Chem 45: 3171-83 (2002)


BindingDB Entry DOI: 10.7270/Q2B27W18
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(RAT)
BDBM50007548
PNG
((S)-2-Amino-4-phosphono-butyric acid | (S)-2-amino...)
Show SMILES N[C@@H](CCP(O)(O)=O)C(O)=O |r|
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)/t3-/m0/s1
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>1.00E+6n/an/an/an/an/an/an/an/a



Parc Club Orsay Universit£

Curated by ChEMBL


Assay Description
Binding affinity at Metabotropic glutamate receptor 1


J Med Chem 45: 3171-83 (2002)


BindingDB Entry DOI: 10.7270/Q2B27W18
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50079183
PNG
((2S)-amino(3,5-dihydroxyphenyl)ethanoic acid | (S)...)
Show SMILES N[C@H](C(O)=O)c1cc(O)cc(O)c1
Show InChI InChI=1S/C8H9NO4/c9-7(8(12)13)4-1-5(10)3-6(11)2-4/h1-3,7,10-11H,9H2,(H,12,13)/t7-/m0/s1
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>1.00E+6n/an/an/an/an/an/an/an/a



Parc Club Orsay Universit£

Curated by ChEMBL


Assay Description
Binding affinity at Metabotropic glutamate receptor 2


J Med Chem 45: 3171-83 (2002)


BindingDB Entry DOI: 10.7270/Q2B27W18
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1/2B


(Homo sapiens (Human))
BDBM50083351
PNG
((+/-)-[2-(4-benzylpiperidino)-1-(4-hydroxyphenyl)-...)
Show SMILES CC(C(O)c1ccc(O)cc1)N1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C21H27NO2/c1-16(21(24)19-7-9-20(23)10-8-19)22-13-11-18(12-14-22)15-17-5-3-2-4-6-17/h2-10,16,18,21,23-24H,11-15H2,1H3
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n/an/a 190n/an/an/an/an/an/a



Universit£ Paris Descartes

Curated by ChEMBL


Assay Description
Antagonist activity at wild type NR1/NR2B receptor expressed in Xenopus oocytes assessed as inhibition of agonist-induced current amplitude by two-el...


Bioorg Med Chem Lett 20: 5552-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.043
BindingDB Entry DOI: 10.7270/Q24M97C9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glutamate receptor ionotropic, NMDA 1/2B


(Homo sapiens (Human))
BDBM50482632
PNG
(CHEMBL1223786)
Show SMILES Oc1ccc(\C=C2/SC(=NC2=O)N2CCN(Cc3ccccc3)CC2)c(O)c1 |c:8|
Show InChI InChI=1S/C21H21N3O3S/c25-17-7-6-16(18(26)13-17)12-19-20(27)22-21(28-19)24-10-8-23(9-11-24)14-15-4-2-1-3-5-15/h1-7,12-13,25-26H,8-11,14H2/b19-12-
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n/an/a 1.65E+3n/an/an/an/an/an/a



Universit£ Paris Descartes

Curated by ChEMBL


Assay Description
Antagonist activity at wild type NR1/NR2B receptor expressed in Xenopus oocytes assessed as inhibition of agonist-induced current amplitude by two-el...


Bioorg Med Chem Lett 20: 5552-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.043
BindingDB Entry DOI: 10.7270/Q24M97C9
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1/2B


(Homo sapiens (Human))
BDBM50482631
PNG
(CHEMBL1223841)
Show SMILES Oc1ccc(\C=C2\SC(=NC2=O)N2CCN(Cc3ccccc3)CC2)cc1 |c:8|
Show InChI InChI=1S/C21H21N3O2S/c25-18-8-6-16(7-9-18)14-19-20(26)22-21(27-19)24-12-10-23(11-13-24)15-17-4-2-1-3-5-17/h1-9,14,25H,10-13,15H2/b19-14+
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n/an/a 1.80E+3n/an/an/an/an/an/a



Universit£ Paris Descartes

Curated by ChEMBL


Assay Description
Antagonist activity at wild type NR1/NR2B receptor expressed in Xenopus oocytes assessed as inhibition of agonist-induced current amplitude by two-el...


Bioorg Med Chem Lett 20: 5552-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.043
BindingDB Entry DOI: 10.7270/Q24M97C9
More data for this
Ligand-Target Pair
Sialin


(Homo sapiens)
BDBM50545752
PNG
(CHEMBL4646356)
Show SMILES OC(=O)[C@H](CSCc1cc(=O)oc2cc(O)ccc12)NC(=O)OCC1c2ccccc2-c2ccccc12 |r|
Show InChI InChI=1S/C28H23NO7S/c30-17-9-10-18-16(11-26(31)36-25(18)12-17)14-37-15-24(27(32)33)29-28(34)35-13-23-21-7-3-1-5-19(21)20-6-2-4-8-22(20)23/h1-12,23-24,30H,13-15H2,(H,29,34)(H,32,33)/t24-/m0/s1
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n/an/a 2.40E+3n/an/an/an/an/an/a



Universit£ de Paris

Curated by ChEMBL


Assay Description
Inhibition of human recombinant-Sialin expressed in HEK293 cells assessed as reduction in [3H]Neu5Ac uptake at 30 to 300 uM incubated for 15 mins by ...


J Med Chem 63: 8231-8249 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02119
BindingDB Entry DOI: 10.7270/Q2PG1WB8
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1/2B


(Homo sapiens (Human))
BDBM50482630
PNG
(CHEMBL1223722)
Show SMILES Oc1ccc(\C=C2/SC(=NC2=O)N2CCN(Cc3ccccc3)CC2)cc1 |c:8|
Show InChI InChI=1S/C21H21N3O2S/c25-18-8-6-16(7-9-18)14-19-20(26)22-21(27-19)24-12-10-23(11-13-24)15-17-4-2-1-3-5-17/h1-9,14,25H,10-13,15H2/b19-14-
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n/an/a 2.70E+3n/an/an/an/an/an/a



Universit£ Paris Descartes

Curated by ChEMBL


Assay Description
Antagonist activity at wild type NR1/NR2B receptor expressed in Xenopus oocytes assessed as inhibition of agonist-induced current amplitude by two-el...


Bioorg Med Chem Lett 20: 5552-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.043
BindingDB Entry DOI: 10.7270/Q24M97C9
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1/2B


(Homo sapiens (Human))
BDBM50482628
PNG
(CHEMBL1223842)
Show SMILES COc1cc(\C=C2\SC(=NC2=O)N2CCN(Cc3ccccc3)CC2)ccc1O |c:8|
Show InChI InChI=1S/C22H23N3O3S/c1-28-19-13-17(7-8-18(19)26)14-20-21(27)23-22(29-20)25-11-9-24(10-12-25)15-16-5-3-2-4-6-16/h2-8,13-14,26H,9-12,15H2,1H3/b20-14+
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n/an/a 1.10E+4n/an/an/an/an/an/a



Universit£ Paris Descartes

Curated by ChEMBL


Assay Description
Antagonist activity at wild type NR1/NR2B receptor expressed in Xenopus oocytes assessed as inhibition of agonist-induced current amplitude by two-el...


Bioorg Med Chem Lett 20: 5552-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.043
BindingDB Entry DOI: 10.7270/Q24M97C9
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1/2B


(Homo sapiens (Human))
BDBM50482629
PNG
(CHEMBL1223845)
Show SMILES Oc1ccc(\C=C2/SC(=NC2=O)N2CCN(CC2)c2ccc(F)cc2)cc1 |c:8|
Show InChI InChI=1S/C20H18FN3O2S/c21-15-3-5-16(6-4-15)23-9-11-24(12-10-23)20-22-19(26)18(27-20)13-14-1-7-17(25)8-2-14/h1-8,13,25H,9-12H2/b18-13-
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n/an/a 1.30E+4n/an/an/an/an/an/a



Universit£ Paris Descartes

Curated by ChEMBL


Assay Description
Antagonist activity at wild type NR1/NR2B receptor expressed in Xenopus oocytes assessed as inhibition of agonist-induced current amplitude by two-el...


Bioorg Med Chem Lett 20: 5552-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.043
BindingDB Entry DOI: 10.7270/Q24M97C9
More data for this
Ligand-Target Pair
Sialin


(Homo sapiens)
BDBM115093
PNG
((2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-met...)
Show SMILES CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc12)C(O)=O
Show InChI InChI=1S/C21H23NO4/c1-13(2)11-19(20(23)24)22-21(25)26-12-18-16-9-5-3-7-14(16)15-8-4-6-10-17(15)18/h3-10,13,18-19H,11-12H2,1-2H3,(H,22,25)(H,23,24)/t19-/m0/s1
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n/an/a 2.33E+4n/an/an/an/an/an/a



Universit£ de Paris

Curated by ChEMBL


Assay Description
Inhibition of human recombinant-Sialin expressed in HEK293 cells assessed as reduction in [3H]Neu5Ac uptake at 30 to 300 uM incubated for 15 mins by ...


J Med Chem 63: 8231-8249 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02119
BindingDB Entry DOI: 10.7270/Q2PG1WB8
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2A


(Rattus norvegicus (Rat))
BDBM50217031
PNG
((1S,2R)-1-amino-2-phosphonomethylcyclopropane-carb...)
Show SMILES N[C@]1(C[C@H]1CP(O)(O)=O)C(O)=O
Show InChI InChI=1S/C5H10NO5P/c6-5(4(7)8)1-3(5)2-12(9,10)11/h3H,1-2,6H2,(H,7,8)(H2,9,10,11)/t3-,5-/m0/s1
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n/an/a 3.15E+5n/an/an/an/an/an/a



University Paris Descartes

Curated by ChEMBL


Assay Description
Agonist activity at rat recombinant NMDA NR2A receptor expressed in xenopus laevis oocyte assessed as inhibition of glycine-stimulated current


J Med Chem 50: 3585-95 (2007)


Article DOI: 10.1021/jm070262c
BindingDB Entry DOI: 10.7270/Q23R0SMQ
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(RAT)
BDBM50217031
PNG
((1S,2R)-1-amino-2-phosphonomethylcyclopropane-carb...)
Show SMILES N[C@]1(C[C@H]1CP(O)(O)=O)C(O)=O
Show InChI InChI=1S/C5H10NO5P/c6-5(4(7)8)1-3(5)2-12(9,10)11/h3H,1-2,6H2,(H,7,8)(H2,9,10,11)/t3-,5-/m0/s1
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n/an/a 3.15E+5n/an/an/an/an/an/a



University Paris Descartes

Curated by ChEMBL


Assay Description
Agonist activity at rat recombinant NMDA NR1 receptor expressed in xenopus laevis oocyte assessed as inhibition of L-glutamate-stimulated current


J Med Chem 50: 3585-95 (2007)


Article DOI: 10.1021/jm070262c
BindingDB Entry DOI: 10.7270/Q23R0SMQ
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1/2A


(Rattus norvegicus (Rat)-RAT)
BDBM50446782
PNG
(CHEMBL3114672)
Show SMILES COc1cc(cc(c1O)[N+]([O-])=O)C(=O)P(O)(O)CC[C@H](N)C(O)=O |r|
Show InChI InChI=1S/C12H17N2O9P/c1-23-9-5-6(4-8(10(9)15)14(19)20)12(18)24(21,22)3-2-7(13)11(16)17/h4-5,7,15,21-22,24H,2-3,13H2,1H3,(H,16,17)/t7-/m0/s1
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n/an/a 1.10E+6n/an/an/an/an/an/a



Laboratoire de Chimie et de Biochimie Pharmacologiques et Toxicologiques , CNRS UMR 8601, Université Paris Descartes, Sorbonne Paris Cité , 45 rue des Saints-Pères , 75270 Paris Cedex 06 , France.

Curated by ChEMBL


Assay Description
Antagonist activity at rat GluN1a/GluN2A receptors expressed in Xenopus laevis oocytes assessed as inhibition of L-glutamate/glucine induced current ...


J Med Chem 61: 1969-1989 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01438
BindingDB Entry DOI: 10.7270/Q2DZ0BR0
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1/2B


(RAT-Mus musculus)
BDBM50446782
PNG
(CHEMBL3114672)
Show SMILES COc1cc(cc(c1O)[N+]([O-])=O)C(=O)P(O)(O)CC[C@H](N)C(O)=O |r|
Show InChI InChI=1S/C12H17N2O9P/c1-23-9-5-6(4-8(10(9)15)14(19)20)12(18)24(21,22)3-2-7(13)11(16)17/h4-5,7,15,21-22,24H,2-3,13H2,1H3,(H,16,17)/t7-/m0/s1
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n/an/a 2.30E+6n/an/an/an/an/an/a



Laboratoire de Chimie et de Biochimie Pharmacologiques et Toxicologiques , CNRS UMR 8601, Université Paris Descartes, Sorbonne Paris Cité , 45 rue des Saints-Pères , 75270 Paris Cedex 06 , France.

Curated by ChEMBL


Assay Description
Antagonist activity at rat GluN1a/mouse GluN2B receptors expressed in Xenopus laevis oocytes assessed as inhibition of L-glutamate/glucine induced cu...


J Med Chem 61: 1969-1989 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01438
BindingDB Entry DOI: 10.7270/Q2DZ0BR0
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50060137
PNG
((1R,2S)-4-aminocyclopentane-1,2,4-tricarboxylic ac...)
Show SMILES N[C@]1(C[C@@H]([C@@H](C1)C(O)=O)C(O)=O)C(O)=O
Show InChI InChI=1S/C8H11NO6/c9-8(7(14)15)1-3(5(10)11)4(2-8)6(12)13/h3-4H,1-2,9H2,(H,10,11)(H,12,13)(H,14,15)/t3-,4+,8-
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n/an/an/an/a>1.00E+6n/an/an/an/a



Faust Pharmaceuticals

Curated by ChEMBL


Assay Description
Activity at rat mGluR2 receptor measured as intracellular calcium concentration in HEK293 cells


Bioorg Med Chem Lett 16: 4856-60 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.062
BindingDB Entry DOI: 10.7270/Q2833RNW
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 6


(Rattus norvegicus (Rat))
BDBM50191052
PNG
((2S,4S)-4-amino-1-((E)-3-carboxyacryloyl)pyrrolidi...)
Show SMILES N[C@]1(C[C@H](N(C1)C(=O)\C=C\C(O)=O)C(O)=O)C(O)=O
Show InChI InChI=1S/C10H12N2O7/c11-10(9(18)19)3-5(8(16)17)12(4-10)6(13)1-2-7(14)15/h1-2,5H,3-4,11H2,(H,14,15)(H,16,17)(H,18,19)/b2-1+/t5-,10-/m0/s1
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n/an/an/an/a 3.78E+5n/an/an/an/a



Faust Pharmaceuticals

Curated by ChEMBL


Assay Description
Activity at rat mGluR6 receptor measured as intracellular calcium concentration in HEK293 cells


Bioorg Med Chem Lett 16: 4856-60 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.062
BindingDB Entry DOI: 10.7270/Q2833RNW
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4


(Rattus norvegicus (Rat))
BDBM50060137
PNG
((1R,2S)-4-aminocyclopentane-1,2,4-tricarboxylic ac...)
Show SMILES N[C@]1(C[C@@H]([C@@H](C1)C(O)=O)C(O)=O)C(O)=O
Show InChI InChI=1S/C8H11NO6/c9-8(7(14)15)1-3(5(10)11)4(2-8)6(12)13/h3-4H,1-2,9H2,(H,10,11)(H,12,13)(H,14,15)/t3-,4+,8-
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n/an/an/an/a 7.20E+3n/an/an/an/a



Faust Pharmaceuticals

Curated by ChEMBL


Assay Description
Activity at rat mGluR4 receptor measured as intracellular calcium concentration in HEK293 cells


Bioorg Med Chem Lett 16: 4856-60 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.062
BindingDB Entry DOI: 10.7270/Q2833RNW
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 7


(Rattus norvegicus (Rat))
BDBM50060137
PNG
((1R,2S)-4-aminocyclopentane-1,2,4-tricarboxylic ac...)
Show SMILES N[C@]1(C[C@@H]([C@@H](C1)C(O)=O)C(O)=O)C(O)=O
Show InChI InChI=1S/C8H11NO6/c9-8(7(14)15)1-3(5(10)11)4(2-8)6(12)13/h3-4H,1-2,9H2,(H,10,11)(H,12,13)(H,14,15)/t3-,4+,8-
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n/an/an/an/a 1.20E+6n/an/an/an/a



Faust Pharmaceuticals

Curated by ChEMBL


Assay Description
Activity at rat mGluR7 receptor measured as intracellular calcium concentration in HEK293 cells


Bioorg Med Chem Lett 16: 4856-60 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.062
BindingDB Entry DOI: 10.7270/Q2833RNW
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 8


(Rattus norvegicus (Rat))
BDBM50191052
PNG
((2S,4S)-4-amino-1-((E)-3-carboxyacryloyl)pyrrolidi...)
Show SMILES N[C@]1(C[C@H](N(C1)C(=O)\C=C\C(O)=O)C(O)=O)C(O)=O
Show InChI InChI=1S/C10H12N2O7/c11-10(9(18)19)3-5(8(16)17)12(4-10)6(13)1-2-7(14)15/h1-2,5H,3-4,11H2,(H,14,15)(H,16,17)(H,18,19)/b2-1+/t5-,10-/m0/s1
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n/an/an/an/a 5.62E+4n/an/an/an/a



Faust Pharmaceuticals

Curated by ChEMBL


Assay Description
Activity at rat mGluR8 receptor measured as intracellular calcium concentration in HEK293 cells


Bioorg Med Chem Lett 16: 4856-60 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.062
BindingDB Entry DOI: 10.7270/Q2833RNW
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50060137
PNG
((1R,2S)-4-aminocyclopentane-1,2,4-tricarboxylic ac...)
Show SMILES N[C@]1(C[C@@H]([C@@H](C1)C(O)=O)C(O)=O)C(O)=O
Show InChI InChI=1S/C8H11NO6/c9-8(7(14)15)1-3(5(10)11)4(2-8)6(12)13/h3-4H,1-2,9H2,(H,10,11)(H,12,13)(H,14,15)/t3-,4+,8-
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Faust Pharmaceuticals

Curated by ChEMBL


Assay Description
Activity at rat mGluR5 receptor measured as intracellular calcium concentration in HEK293 cells


Bioorg Med Chem Lett 16: 4856-60 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.062
BindingDB Entry DOI: 10.7270/Q2833RNW
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 8


(Rattus norvegicus (Rat))
BDBM50060137
PNG
((1R,2S)-4-aminocyclopentane-1,2,4-tricarboxylic ac...)
Show SMILES N[C@]1(C[C@@H]([C@@H](C1)C(O)=O)C(O)=O)C(O)=O
Show InChI InChI=1S/C8H11NO6/c9-8(7(14)15)1-3(5(10)11)4(2-8)6(12)13/h3-4H,1-2,9H2,(H,10,11)(H,12,13)(H,14,15)/t3-,4+,8-
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n/an/an/an/a 1.01E+4n/an/an/an/a



Faust Pharmaceuticals

Curated by ChEMBL


Assay Description
Activity at rat mGluR8 receptor measured as intracellular calcium concentration in HEK293 cells


Bioorg Med Chem Lett 16: 4856-60 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.062
BindingDB Entry DOI: 10.7270/Q2833RNW
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 6


(Rattus norvegicus (Rat))
BDBM50060137
PNG
((1R,2S)-4-aminocyclopentane-1,2,4-tricarboxylic ac...)
Show SMILES N[C@]1(C[C@@H]([C@@H](C1)C(O)=O)C(O)=O)C(O)=O
Show InChI InChI=1S/C8H11NO6/c9-8(7(14)15)1-3(5(10)11)4(2-8)6(12)13/h3-4H,1-2,9H2,(H,10,11)(H,12,13)(H,14,15)/t3-,4+,8-
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n/an/an/an/a 1.84E+4n/an/an/an/a



Faust Pharmaceuticals

Curated by ChEMBL


Assay Description
Activity at rat mGluR6 receptor measured as intracellular calcium concentration in HEK293 cells


Bioorg Med Chem Lett 16: 4856-60 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.062
BindingDB Entry DOI: 10.7270/Q2833RNW
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4


(Rattus norvegicus (Rat))
BDBM50191052
PNG
((2S,4S)-4-amino-1-((E)-3-carboxyacryloyl)pyrrolidi...)
Show SMILES N[C@]1(C[C@H](N(C1)C(=O)\C=C\C(O)=O)C(O)=O)C(O)=O
Show InChI InChI=1S/C10H12N2O7/c11-10(9(18)19)3-5(8(16)17)12(4-10)6(13)1-2-7(14)15/h1-2,5H,3-4,11H2,(H,14,15)(H,16,17)(H,18,19)/b2-1+/t5-,10-/m0/s1
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n/an/an/an/a 4.83E+4n/an/an/an/a



Faust Pharmaceuticals

Curated by ChEMBL


Assay Description
Activity at rat mGluR4 receptor measured as intracellular calcium concentration in HEK293 cells


Bioorg Med Chem Lett 16: 4856-60 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.062
BindingDB Entry DOI: 10.7270/Q2833RNW
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50191052
PNG
((2S,4S)-4-amino-1-((E)-3-carboxyacryloyl)pyrrolidi...)
Show SMILES N[C@]1(C[C@H](N(C1)C(=O)\C=C\C(O)=O)C(O)=O)C(O)=O
Show InChI InChI=1S/C10H12N2O7/c11-10(9(18)19)3-5(8(16)17)12(4-10)6(13)1-2-7(14)15/h1-2,5H,3-4,11H2,(H,14,15)(H,16,17)(H,18,19)/b2-1+/t5-,10-/m0/s1
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Faust Pharmaceuticals

Curated by ChEMBL


Assay Description
Activity at rat mGluR5 receptor measured as intracellular calcium concentration in HEK293 cells


Bioorg Med Chem Lett 16: 4856-60 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.062
BindingDB Entry DOI: 10.7270/Q2833RNW
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50191052
PNG
((2S,4S)-4-amino-1-((E)-3-carboxyacryloyl)pyrrolidi...)
Show SMILES N[C@]1(C[C@H](N(C1)C(=O)\C=C\C(O)=O)C(O)=O)C(O)=O
Show InChI InChI=1S/C10H12N2O7/c11-10(9(18)19)3-5(8(16)17)12(4-10)6(13)1-2-7(14)15/h1-2,5H,3-4,11H2,(H,14,15)(H,16,17)(H,18,19)/b2-1+/t5-,10-/m0/s1
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n/an/an/an/a>5.00E+6n/an/an/an/a



Faust Pharmaceuticals

Curated by ChEMBL


Assay Description
Activity at rat mGluR2 receptor measured as intracellular calcium concentration in HEK293 cells


Bioorg Med Chem Lett 16: 4856-60 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.062
BindingDB Entry DOI: 10.7270/Q2833RNW
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(RAT)
BDBM50191052
PNG
((2S,4S)-4-amino-1-((E)-3-carboxyacryloyl)pyrrolidi...)
Show SMILES N[C@]1(C[C@H](N(C1)C(=O)\C=C\C(O)=O)C(O)=O)C(O)=O
Show InChI InChI=1S/C10H12N2O7/c11-10(9(18)19)3-5(8(16)17)12(4-10)6(13)1-2-7(14)15/h1-2,5H,3-4,11H2,(H,14,15)(H,16,17)(H,18,19)/b2-1+/t5-,10-/m0/s1
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n/an/an/an/a>5.00E+6n/an/an/an/a



Faust Pharmaceuticals

Curated by ChEMBL


Assay Description
Activity at rat mGluR1 receptor measured as intracellular calcium concentration in HEK293 cells


Bioorg Med Chem Lett 16: 4856-60 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.062
BindingDB Entry DOI: 10.7270/Q2833RNW
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 7


(Homo sapiens (Human))
BDBM50089518
PNG
((1R,2R)-1-amino-2-(phosphonomethyl)cyclopropanecar...)
Show SMILES N[C@@]1(C[C@H]1CP(O)(O)=O)C(O)=O
Show InChI InChI=1S/C5H10NO5P/c6-5(4(7)8)1-3(5)2-12(9,10)11/h3H,1-2,6H2,(H,7,8)(H2,9,10,11)/t3-,5+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
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n/an/an/an/a>1.00E+6n/an/an/an/a



University Paris Descartes

Curated by ChEMBL


Assay Description
Agonist activity at mGlu7 receptor expressed in HEK 293 cells assessed as effect on inositol phosphate production


J Med Chem 50: 3585-95 (2007)


Article DOI: 10.1021/jm070262c
BindingDB Entry DOI: 10.7270/Q23R0SMQ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4


(Homo sapiens (Human))
BDBM50217030
PNG
((1S,2S)-1-amino-2-phosphonomethylcyclopropane-carb...)
Show SMILES N[C@]1(C[C@@H]1CP(O)(O)=O)C(O)=O
Show InChI InChI=1S/C5H10NO5P/c6-5(4(7)8)1-3(5)2-12(9,10)11/h3H,1-2,6H2,(H,7,8)(H2,9,10,11)/t3-,5+/m1/s1
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n/an/an/an/a 1.85E+3n/an/an/an/a



University Paris Descartes

Curated by ChEMBL


Assay Description
Agonist activity at mGlu4 receptor expressed in HEK 293 cells assessed as effect on inositol phosphate production


J Med Chem 50: 3585-95 (2007)


Article DOI: 10.1021/jm070262c
BindingDB Entry DOI: 10.7270/Q23R0SMQ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 6


(Homo sapiens (Human))
BDBM50217030
PNG
((1S,2S)-1-amino-2-phosphonomethylcyclopropane-carb...)
Show SMILES N[C@]1(C[C@@H]1CP(O)(O)=O)C(O)=O
Show InChI InChI=1S/C5H10NO5P/c6-5(4(7)8)1-3(5)2-12(9,10)11/h3H,1-2,6H2,(H,7,8)(H2,9,10,11)/t3-,5+/m1/s1
Reactome pathway
KEGG

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n/an/an/an/a 3.41E+3n/an/an/an/a



University Paris Descartes

Curated by ChEMBL


Assay Description
Agonist activity at mGlu6 receptor expressed in HEK 293 cells assessed as effect on inositol phosphate production


J Med Chem 50: 3585-95 (2007)


Article DOI: 10.1021/jm070262c
BindingDB Entry DOI: 10.7270/Q23R0SMQ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4


(Homo sapiens (Human))
BDBM50217031
PNG
((1S,2R)-1-amino-2-phosphonomethylcyclopropane-carb...)
Show SMILES N[C@]1(C[C@H]1CP(O)(O)=O)C(O)=O
Show InChI InChI=1S/C5H10NO5P/c6-5(4(7)8)1-3(5)2-12(9,10)11/h3H,1-2,6H2,(H,7,8)(H2,9,10,11)/t3-,5-/m0/s1
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n/an/an/an/a 720n/an/an/an/a



University Paris Descartes

Curated by ChEMBL


Assay Description
Agonist activity at mGlu4 receptor expressed in HEK 293 cells assessed as effect on inositol phosphate production


J Med Chem 50: 3585-95 (2007)


Article DOI: 10.1021/jm070262c
BindingDB Entry DOI: 10.7270/Q23R0SMQ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 8


(Homo sapiens (Human))
BDBM50089518
PNG
((1R,2R)-1-amino-2-(phosphonomethyl)cyclopropanecar...)
Show SMILES N[C@@]1(C[C@H]1CP(O)(O)=O)C(O)=O
Show InChI InChI=1S/C5H10NO5P/c6-5(4(7)8)1-3(5)2-12(9,10)11/h3H,1-2,6H2,(H,7,8)(H2,9,10,11)/t3-,5+/m0/s1
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n/an/an/an/a>3.00E+5n/an/an/an/a



University Paris Descartes

Curated by ChEMBL


Assay Description
Agonist activity at mGlu8 receptor expressed in HEK 293 cells assessed as effect on inositol phosphate production


J Med Chem 50: 3585-95 (2007)


Article DOI: 10.1021/jm070262c
BindingDB Entry DOI: 10.7270/Q23R0SMQ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4


(Homo sapiens (Human))
BDBM50007548
PNG
((S)-2-Amino-4-phosphono-butyric acid | (S)-2-amino...)
Show SMILES N[C@@H](CCP(O)(O)=O)C(O)=O |r|
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)/t3-/m0/s1
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n/an/an/an/a 690n/an/an/an/a



University Paris Descartes

Curated by ChEMBL


Assay Description
Agonist activity at mGlu4 receptor expressed in HEK 293 cells assessed as effect on inositol phosphate production


J Med Chem 50: 3585-95 (2007)


Article DOI: 10.1021/jm070262c
BindingDB Entry DOI: 10.7270/Q23R0SMQ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 8


(Homo sapiens (Human))
BDBM50217030
PNG
((1S,2S)-1-amino-2-phosphonomethylcyclopropane-carb...)
Show SMILES N[C@]1(C[C@@H]1CP(O)(O)=O)C(O)=O
Show InChI InChI=1S/C5H10NO5P/c6-5(4(7)8)1-3(5)2-12(9,10)11/h3H,1-2,6H2,(H,7,8)(H2,9,10,11)/t3-,5+/m1/s1
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n/an/an/an/a 2.15E+3n/an/an/an/a



University Paris Descartes

Curated by ChEMBL


Assay Description
Agonist activity at mGlu8 receptor expressed in HEK 293 cells assessed as effect on inositol phosphate production


J Med Chem 50: 3585-95 (2007)


Article DOI: 10.1021/jm070262c
BindingDB Entry DOI: 10.7270/Q23R0SMQ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 8


(Homo sapiens (Human))
BDBM50089516
PNG
((1R,2S)-1-amino-2-(phosphonomethyl)cyclopropanecar...)
Show SMILES N[C@@]1(C[C@@H]1CP(O)(O)=O)C(O)=O
Show InChI InChI=1S/C5H10NO5P/c6-5(4(7)8)1-3(5)2-12(9,10)11/h3H,1-2,6H2,(H,7,8)(H2,9,10,11)/t3-,5-/m1/s1
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n/an/an/an/a 6.51E+3n/an/an/an/a



University Paris Descartes

Curated by ChEMBL


Assay Description
Agonist activity at mGlu8 receptor expressed in HEK 293 cells assessed as effect on inositol phosphate production


J Med Chem 50: 3585-95 (2007)


Article DOI: 10.1021/jm070262c
BindingDB Entry DOI: 10.7270/Q23R0SMQ
More data for this
Ligand-Target Pair
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