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Compile Data Set for Download or QSAR

Found 47 hits with Last Name = 'foti' and Initial = 'a'   
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
Glutamate receptor 2


(Rattus norvegicus)
BDBM50318264
PNG
((+)-2-Amino-3-(4-hydroxy-1,2,5-oxadiazol-3-yl)prop...)
Show SMILES NC(Cc1no[nH]c1=O)C(O)=O
Show InChI InChI=1S/C5H7N3O4/c6-2(5(10)11)1-3-4(9)8-12-7-3/h2H,1,6H2,(H,8,9)(H,10,11)
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43n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Displacement of [3H]AMPA from rat iGluR2 receptor expressed in Sf9 cells baculovirus system after 1 to 2 hrs by liquid scintillation counting


J Med Chem 53: 4110-8 (2010)


Article DOI: 10.1021/jm1001452
BindingDB Entry DOI: 10.7270/Q2RR206G
More data for this
Ligand-Target Pair
Glutamate receptor 2


(Rattus norvegicus)
BDBM50318264
PNG
((+)-2-Amino-3-(4-hydroxy-1,2,5-oxadiazol-3-yl)prop...)
Show SMILES NC(Cc1no[nH]c1=O)C(O)=O
Show InChI InChI=1S/C5H7N3O4/c6-2(5(10)11)1-3-4(9)8-12-7-3/h2H,1,6H2,(H,8,9)(H,10,11)
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43n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Displacement of [3H]AMPA from rat iGluR2 receptor expressed in Sf9 cells baculovirus system after 1 to 2 hrs by liquid scintillation counting


J Med Chem 53: 4110-8 (2010)


Article DOI: 10.1021/jm1001452
BindingDB Entry DOI: 10.7270/Q2RR206G
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, kainate 1


(RAT)
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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140n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Displacement of [3H]SYM2081 from rat iGluR5 receptor expressed in Sf9 cells baculovirus system after 1 to 2 hrs by liquid scintillation counting


J Med Chem 53: 4110-8 (2010)


Article DOI: 10.1021/jm1001452
BindingDB Entry DOI: 10.7270/Q2RR206G
More data for this
Ligand-Target Pair
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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280n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Displacement of [3H]AMPA from rat iGluR2 receptor expressed in Sf9 cells baculovirus system after 1 to 2 hrs by liquid scintillation counting


J Med Chem 53: 4110-8 (2010)


Article DOI: 10.1021/jm1001452
BindingDB Entry DOI: 10.7270/Q2RR206G
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, kainate 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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330n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Displacement of [3H]SYM2081 from rat iGluR6 receptor expressed in Sf9 cells baculovirus system after 1 to 2 hrs by liquid scintillation counting


J Med Chem 53: 4110-8 (2010)


Article DOI: 10.1021/jm1001452
BindingDB Entry DOI: 10.7270/Q2RR206G
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Glutamate receptor ionotropic, kainate 3


(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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490n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Displacement of [3H]SYM2081 from rat iGluR7 receptor expressed in Sf9 cells baculovirus system after 1 to 2 hrs by liquid scintillation counting


J Med Chem 53: 4110-8 (2010)


Article DOI: 10.1021/jm1001452
BindingDB Entry DOI: 10.7270/Q2RR206G
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, kainate 1


(RAT)
BDBM50318264
PNG
((+)-2-Amino-3-(4-hydroxy-1,2,5-oxadiazol-3-yl)prop...)
Show SMILES NC(Cc1no[nH]c1=O)C(O)=O
Show InChI InChI=1S/C5H7N3O4/c6-2(5(10)11)1-3-4(9)8-12-7-3/h2H,1,6H2,(H,8,9)(H,10,11)
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8.10E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Displacement of [3H]SYM2081 from rat iGluR5 receptor expressed in Sf9 cells baculovirus system after 1 to 2 hrs by liquid scintillation counting


J Med Chem 53: 4110-8 (2010)


Article DOI: 10.1021/jm1001452
BindingDB Entry DOI: 10.7270/Q2RR206G
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, kainate 1


(RAT)
BDBM50318264
PNG
((+)-2-Amino-3-(4-hydroxy-1,2,5-oxadiazol-3-yl)prop...)
Show SMILES NC(Cc1no[nH]c1=O)C(O)=O
Show InChI InChI=1S/C5H7N3O4/c6-2(5(10)11)1-3-4(9)8-12-7-3/h2H,1,6H2,(H,8,9)(H,10,11)
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8.10E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Displacement of [3H]SYM2081 from rat iGluR5 receptor expressed in Sf9 cells baculovirus system after 1 to 2 hrs by liquid scintillation counting


J Med Chem 53: 4110-8 (2010)


Article DOI: 10.1021/jm1001452
BindingDB Entry DOI: 10.7270/Q2RR206G
More data for this
Ligand-Target Pair
Glutamate receptor 2


(Rattus norvegicus)
BDBM50318266
PNG
((+)-2-Amino-5-(4-hydroxy-1,2,5-oxadiazol-3-yl)pent...)
Show SMILES NC(CCCc1no[nH]c1=O)C(O)=O
Show InChI InChI=1S/C7H11N3O4/c8-4(7(12)13)2-1-3-5-6(11)10-14-9-5/h4H,1-3,8H2,(H,10,11)(H,12,13)
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2.00E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Displacement of [3H]AMPA from rat iGluR2 receptor expressed in Sf9 cells baculovirus system after 1 to 2 hrs by liquid scintillation counting


J Med Chem 53: 4110-8 (2010)


Article DOI: 10.1021/jm1001452
BindingDB Entry DOI: 10.7270/Q2RR206G
More data for this
Ligand-Target Pair
Glutamate receptor 2


(Rattus norvegicus)
BDBM50318265
PNG
((+)-2-Amino-4-(4-hydroxy-1,2,5-oxadiazol-3-yl)buta...)
Show SMILES NC(CCc1no[nH]c1=O)C(O)=O
Show InChI InChI=1S/C6H9N3O4/c7-3(6(11)12)1-2-4-5(10)9-13-8-4/h3H,1-2,7H2,(H,9,10)(H,11,12)
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4.00E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Displacement of [3H]AMPA from rat iGluR2 receptor expressed in Sf9 cells baculovirus system after 1 to 2 hrs by liquid scintillation counting


J Med Chem 53: 4110-8 (2010)


Article DOI: 10.1021/jm1001452
BindingDB Entry DOI: 10.7270/Q2RR206G
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, kainate 3


(Rattus norvegicus)
BDBM50318265
PNG
((+)-2-Amino-4-(4-hydroxy-1,2,5-oxadiazol-3-yl)buta...)
Show SMILES NC(CCc1no[nH]c1=O)C(O)=O
Show InChI InChI=1S/C6H9N3O4/c7-3(6(11)12)1-2-4-5(10)9-13-8-4/h3H,1-2,7H2,(H,9,10)(H,11,12)
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4.10E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Displacement of [3H]SYM2081 from rat iGluR7 receptor expressed in Sf9 cells baculovirus system after 1 to 2 hrs by liquid scintillation counting


J Med Chem 53: 4110-8 (2010)


Article DOI: 10.1021/jm1001452
BindingDB Entry DOI: 10.7270/Q2RR206G
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, kainate 1


(RAT)
BDBM50318265
PNG
((+)-2-Amino-4-(4-hydroxy-1,2,5-oxadiazol-3-yl)buta...)
Show SMILES NC(CCc1no[nH]c1=O)C(O)=O
Show InChI InChI=1S/C6H9N3O4/c7-3(6(11)12)1-2-4-5(10)9-13-8-4/h3H,1-2,7H2,(H,9,10)(H,11,12)
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5.30E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Displacement of [3H]SYM2081 from rat iGluR5 receptor expressed in Sf9 cells baculovirus system after 1 to 2 hrs by liquid scintillation counting


J Med Chem 53: 4110-8 (2010)


Article DOI: 10.1021/jm1001452
BindingDB Entry DOI: 10.7270/Q2RR206G
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, kainate 1


(RAT)
BDBM50318266
PNG
((+)-2-Amino-5-(4-hydroxy-1,2,5-oxadiazol-3-yl)pent...)
Show SMILES NC(CCCc1no[nH]c1=O)C(O)=O
Show InChI InChI=1S/C7H11N3O4/c8-4(7(12)13)2-1-3-5-6(11)10-14-9-5/h4H,1-3,8H2,(H,10,11)(H,12,13)
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6.70E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Displacement of [3H]SYM2081 from rat iGluR5 receptor expressed in Sf9 cells baculovirus system after 1 to 2 hrs by liquid scintillation counting


J Med Chem 53: 4110-8 (2010)


Article DOI: 10.1021/jm1001452
BindingDB Entry DOI: 10.7270/Q2RR206G
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, kainate 3


(Rattus norvegicus)
BDBM50318264
PNG
((+)-2-Amino-3-(4-hydroxy-1,2,5-oxadiazol-3-yl)prop...)
Show SMILES NC(Cc1no[nH]c1=O)C(O)=O
Show InChI InChI=1S/C5H7N3O4/c6-2(5(10)11)1-3-4(9)8-12-7-3/h2H,1,6H2,(H,8,9)(H,10,11)
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>1.00E+5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Displacement of [3H]SYM2081 from rat iGluR7 receptor expressed in Sf9 cells baculovirus system after 1 to 2 hrs by liquid scintillation counting


J Med Chem 53: 4110-8 (2010)


Article DOI: 10.1021/jm1001452
BindingDB Entry DOI: 10.7270/Q2RR206G
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, kainate 3


(Rattus norvegicus)
BDBM50318264
PNG
((+)-2-Amino-3-(4-hydroxy-1,2,5-oxadiazol-3-yl)prop...)
Show SMILES NC(Cc1no[nH]c1=O)C(O)=O
Show InChI InChI=1S/C5H7N3O4/c6-2(5(10)11)1-3-4(9)8-12-7-3/h2H,1,6H2,(H,8,9)(H,10,11)
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>1.00E+5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Displacement of [3H]SYM2081 from rat iGluR7 receptor expressed in Sf9 cells baculovirus system after 1 to 2 hrs by liquid scintillation counting


J Med Chem 53: 4110-8 (2010)


Article DOI: 10.1021/jm1001452
BindingDB Entry DOI: 10.7270/Q2RR206G
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, kainate 2


(Rattus norvegicus)
BDBM50318264
PNG
((+)-2-Amino-3-(4-hydroxy-1,2,5-oxadiazol-3-yl)prop...)
Show SMILES NC(Cc1no[nH]c1=O)C(O)=O
Show InChI InChI=1S/C5H7N3O4/c6-2(5(10)11)1-3-4(9)8-12-7-3/h2H,1,6H2,(H,8,9)(H,10,11)
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>1.00E+5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Displacement of [3H]SYM2081 from rat iGluR6 receptor expressed in Sf9 cells baculovirus system after 1 to 2 hrs by liquid scintillation counting


J Med Chem 53: 4110-8 (2010)


Article DOI: 10.1021/jm1001452
BindingDB Entry DOI: 10.7270/Q2RR206G
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, kainate 2


(Rattus norvegicus)
BDBM50318264
PNG
((+)-2-Amino-3-(4-hydroxy-1,2,5-oxadiazol-3-yl)prop...)
Show SMILES NC(Cc1no[nH]c1=O)C(O)=O
Show InChI InChI=1S/C5H7N3O4/c6-2(5(10)11)1-3-4(9)8-12-7-3/h2H,1,6H2,(H,8,9)(H,10,11)
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>1.00E+5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Displacement of [3H]SYM2081 from rat iGluR6 receptor expressed in Sf9 cells baculovirus system after 1 to 2 hrs by liquid scintillation counting


J Med Chem 53: 4110-8 (2010)


Article DOI: 10.1021/jm1001452
BindingDB Entry DOI: 10.7270/Q2RR206G
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, kainate 3


(Rattus norvegicus)
BDBM50318266
PNG
((+)-2-Amino-5-(4-hydroxy-1,2,5-oxadiazol-3-yl)pent...)
Show SMILES NC(CCCc1no[nH]c1=O)C(O)=O
Show InChI InChI=1S/C7H11N3O4/c8-4(7(12)13)2-1-3-5-6(11)10-14-9-5/h4H,1-3,8H2,(H,10,11)(H,12,13)
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>1.00E+6n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Displacement of [3H]SYM2081 from rat iGluR7 receptor expressed in Sf9 cells baculovirus system after 1 to 2 hrs by liquid scintillation counting


J Med Chem 53: 4110-8 (2010)


Article DOI: 10.1021/jm1001452
BindingDB Entry DOI: 10.7270/Q2RR206G
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, kainate 2


(Rattus norvegicus)
BDBM50318266
PNG
((+)-2-Amino-5-(4-hydroxy-1,2,5-oxadiazol-3-yl)pent...)
Show SMILES NC(CCCc1no[nH]c1=O)C(O)=O
Show InChI InChI=1S/C7H11N3O4/c8-4(7(12)13)2-1-3-5-6(11)10-14-9-5/h4H,1-3,8H2,(H,10,11)(H,12,13)
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>1.00E+6n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Displacement of [3H]SYM2081 from rat iGluR6 receptor expressed in Sf9 cells baculovirus system after 1 to 2 hrs by liquid scintillation counting


J Med Chem 53: 4110-8 (2010)


Article DOI: 10.1021/jm1001452
BindingDB Entry DOI: 10.7270/Q2RR206G
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, kainate 2


(Rattus norvegicus)
BDBM50318265
PNG
((+)-2-Amino-4-(4-hydroxy-1,2,5-oxadiazol-3-yl)buta...)
Show SMILES NC(CCc1no[nH]c1=O)C(O)=O
Show InChI InChI=1S/C6H9N3O4/c7-3(6(11)12)1-2-4-5(10)9-13-8-4/h3H,1-2,7H2,(H,9,10)(H,11,12)
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>1.00E+6n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Displacement of [3H]SYM2081 from rat iGluR6 receptor expressed in Sf9 cells baculovirus system after 1 to 2 hrs by liquid scintillation counting


J Med Chem 53: 4110-8 (2010)


Article DOI: 10.1021/jm1001452
BindingDB Entry DOI: 10.7270/Q2RR206G
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Rattus norvegicus (rat))
BDBM14712
PNG
((2Z)-2-cyano-3-hydroxy-N-[4-(trifluoromethyl)pheny...)
Show SMILES CC(=O)C(C#N)C(=O)Nc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C12H9F3N2O2/c1-7(18)10(6-16)11(19)17-9-4-2-8(3-5-9)12(13,14)15/h2-5,10H,1H3,(H,17,19)
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n/an/a 20n/an/an/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Inhibition of dihydroorotate dehydrogenase in Wistar rat liver mitochondrial/microsomal membranes measured for 5 mins by 2,6-dichlorophenolindophenol...


Eur J Med Chem 49: 102-9 (2012)


Article DOI: 10.1016/j.ejmech.2011.12.038
BindingDB Entry DOI: 10.7270/Q2H995NC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Rattus norvegicus (rat))
BDBM15339
PNG
(6-fluoro-2-[4-(2-fluorophenyl)phenyl]-3-methyl-qui...)
Show SMILES Cc1c(nc2ccc(F)cc2c1C(O)=O)-c1ccc(cc1)-c1ccccc1F
Show InChI InChI=1S/C23H15F2NO2/c1-13-21(23(27)28)18-12-16(24)10-11-20(18)26-22(13)15-8-6-14(7-9-15)17-4-2-3-5-19(17)25/h2-12H,1H3,(H,27,28)
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n/an/a 33n/an/an/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Inhibition of dihydroorotate dehydrogenase in Wistar rat liver mitochondrial/microsomal membranes measured for 5 mins by 2,6-dichlorophenolindophenol...


Eur J Med Chem 49: 102-9 (2012)


Article DOI: 10.1016/j.ejmech.2011.12.038
BindingDB Entry DOI: 10.7270/Q2H995NC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Rattus norvegicus (rat))
BDBM50363564
PNG
(CHEMBL1946851)
Show SMILES Fc1c(F)c(-c2cccc(OC(F)(F)F)c2)c(F)c(F)c1NC(=O)c1no[nH]c1=O
Show InChI InChI=1S/C16H6F7N3O4/c17-8-7(5-2-1-3-6(4-5)29-16(21,22)23)9(18)11(20)12(10(8)19)24-14(27)13-15(28)26-30-25-13/h1-4H,(H,24,27)(H,26,28)
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n/an/a 50n/an/an/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Inhibition of dihydroorotate dehydrogenase in Wistar rat liver mitochondrial/microsomal membranes measured for 5 mins by 2,6-dichlorophenolindophenol...


Eur J Med Chem 49: 102-9 (2012)


Article DOI: 10.1016/j.ejmech.2011.12.038
BindingDB Entry DOI: 10.7270/Q2H995NC
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Rattus norvegicus (rat))
BDBM50363559
PNG
(CHEMBL1946659)
Show SMILES Fc1c(F)c(-c2ccccc2)c(F)c(F)c1NC(=O)c1no[nH]c1=O
Show InChI InChI=1S/C15H7F4N3O3/c16-8-7(6-4-2-1-3-5-6)9(17)11(19)12(10(8)18)20-14(23)13-15(24)22-25-21-13/h1-5H,(H,20,23)(H,22,24)
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n/an/a 66n/an/an/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Inhibition of dihydroorotate dehydrogenase in Wistar rat liver mitochondrial/microsomal membranes measured for 5 mins by 2,6-dichlorophenolindophenol...


Eur J Med Chem 49: 102-9 (2012)


Article DOI: 10.1016/j.ejmech.2011.12.038
BindingDB Entry DOI: 10.7270/Q2H995NC
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Rattus norvegicus (rat))
BDBM50363563
PNG
(CHEMBL1946850)
Show SMILES Fc1c(F)c(-c2cccc(c2)C(F)(F)F)c(F)c(F)c1NC(=O)c1no[nH]c1=O
Show InChI InChI=1S/C16H6F7N3O3/c17-8-7(5-2-1-3-6(4-5)16(21,22)23)9(18)11(20)12(10(8)19)24-14(27)13-15(28)26-29-25-13/h1-4H,(H,24,27)(H,26,28)
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n/an/a 120n/an/an/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Inhibition of dihydroorotate dehydrogenase in Wistar rat liver mitochondrial/microsomal membranes measured for 5 mins by 2,6-dichlorophenolindophenol...


Eur J Med Chem 49: 102-9 (2012)


Article DOI: 10.1016/j.ejmech.2011.12.038
BindingDB Entry DOI: 10.7270/Q2H995NC
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Rattus norvegicus (rat))
BDBM50363562
PNG
(CHEMBL1946849)
Show SMILES Fc1c(F)c(-c2ccc(cc2)C(F)(F)F)c(F)c(F)c1NC(=O)c1no[nH]c1=O
Show InChI InChI=1S/C16H6F7N3O3/c17-8-7(5-1-3-6(4-2-5)16(21,22)23)9(18)11(20)12(10(8)19)24-14(27)13-15(28)26-29-25-13/h1-4H,(H,24,27)(H,26,28)
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n/an/a 490n/an/an/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Inhibition of dihydroorotate dehydrogenase in Wistar rat liver mitochondrial/microsomal membranes measured for 5 mins by 2,6-dichlorophenolindophenol...


Eur J Med Chem 49: 102-9 (2012)


Article DOI: 10.1016/j.ejmech.2011.12.038
BindingDB Entry DOI: 10.7270/Q2H995NC
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Rattus norvegicus (rat))
BDBM50363560
PNG
(CHEMBL1946660)
Show SMILES Fc1cc(cc(F)c1NC(=O)c1no[nH]c1=O)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C16H8F5N3O3/c17-10-5-8(7-2-1-3-9(4-7)16(19,20)21)6-11(18)12(10)22-14(25)13-15(26)24-27-23-13/h1-6H,(H,22,25)(H,24,26)
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n/an/a 870n/an/an/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Inhibition of dihydroorotate dehydrogenase in Wistar rat liver mitochondrial/microsomal membranes measured for 5 mins by 2,6-dichlorophenolindophenol...


Eur J Med Chem 49: 102-9 (2012)


Article DOI: 10.1016/j.ejmech.2011.12.038
BindingDB Entry DOI: 10.7270/Q2H995NC
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Rattus norvegicus (rat))
BDBM50363558
PNG
(CHEMBL1946658)
Show SMILES Fc1cc(cc(F)c1NC(=O)c1no[nH]c1=O)-c1ccccc1
Show InChI InChI=1S/C15H9F2N3O3/c16-10-6-9(8-4-2-1-3-5-8)7-11(17)12(10)18-14(21)13-15(22)20-23-19-13/h1-7H,(H,18,21)(H,20,22)
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n/an/a 880n/an/an/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Inhibition of dihydroorotate dehydrogenase in Wistar rat liver mitochondrial/microsomal membranes measured for 5 mins by 2,6-dichlorophenolindophenol...


Eur J Med Chem 49: 102-9 (2012)


Article DOI: 10.1016/j.ejmech.2011.12.038
BindingDB Entry DOI: 10.7270/Q2H995NC
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Rattus norvegicus (rat))
BDBM50363561
PNG
(CHEMBL1946848)
Show SMILES Fc1cc(cc(F)c1NC(=O)c1no[nH]c1=O)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C16H8F5N3O3/c17-10-5-8(7-1-3-9(4-2-7)16(19,20)21)6-11(18)12(10)22-14(25)13-15(26)24-27-23-13/h1-6H,(H,22,25)(H,24,26)
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n/an/a 2.30E+3n/an/an/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Inhibition of dihydroorotate dehydrogenase in Wistar rat liver mitochondrial/microsomal membranes measured for 5 mins by 2,6-dichlorophenolindophenol...


Eur J Med Chem 49: 102-9 (2012)


Article DOI: 10.1016/j.ejmech.2011.12.038
BindingDB Entry DOI: 10.7270/Q2H995NC
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Rattus norvegicus (rat))
BDBM50363553
PNG
(CHEMBL1946653)
Show SMILES FC(F)(F)c1ccc(NC(=O)c2no[nH]c2=O)cc1
Show InChI InChI=1S/C10H6F3N3O3/c11-10(12,13)5-1-3-6(4-2-5)14-8(17)7-9(18)16-19-15-7/h1-4H,(H,14,17)(H,16,18)
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n/an/a 4.30E+3n/an/an/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Inhibition of dihydroorotate dehydrogenase in Wistar rat liver mitochondrial/microsomal membranes measured for 5 mins by 2,6-dichlorophenolindophenol...


Eur J Med Chem 49: 102-9 (2012)


Article DOI: 10.1016/j.ejmech.2011.12.038
BindingDB Entry DOI: 10.7270/Q2H995NC
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Rattus norvegicus (rat))
BDBM50363554
PNG
(CHEMBL1946654)
Show SMILES O=C(Nc1ccc(cc1)-c1ccccc1)c1no[nH]c1=O
Show InChI InChI=1S/C15H11N3O3/c19-14(13-15(20)18-21-17-13)16-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H,(H,16,19)(H,18,20)
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n/an/a 1.10E+4n/an/an/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Inhibition of dihydroorotate dehydrogenase in Wistar rat liver mitochondrial/microsomal membranes measured for 5 mins by 2,6-dichlorophenolindophenol...


Eur J Med Chem 49: 102-9 (2012)


Article DOI: 10.1016/j.ejmech.2011.12.038
BindingDB Entry DOI: 10.7270/Q2H995NC
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Rattus norvegicus (rat))
BDBM50363557
PNG
(CHEMBL1946657)
Show SMILES FC(F)(F)c1cccc(c1)-c1ccc(NC(=O)c2no[nH]c2=O)cc1
Show InChI InChI=1S/C16H10F3N3O3/c17-16(18,19)11-3-1-2-10(8-11)9-4-6-12(7-5-9)20-14(23)13-15(24)22-25-21-13/h1-8H,(H,20,23)(H,22,24)
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n/an/a 2.50E+4n/an/an/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Inhibition of dihydroorotate dehydrogenase in Wistar rat liver mitochondrial/microsomal membranes measured for 5 mins by 2,6-dichlorophenolindophenol...


Eur J Med Chem 49: 102-9 (2012)


Article DOI: 10.1016/j.ejmech.2011.12.038
BindingDB Entry DOI: 10.7270/Q2H995NC
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50234112
PNG
(CHEMBL4083528)
Show SMILES Cc1nc2nc(Sc3ccccc3)cnc2cc1NC(=O)Nc1ccccc1
Show InChI InChI=1S/C21H17N5OS/c1-14-17(25-21(27)24-15-8-4-2-5-9-15)12-18-20(23-14)26-19(13-22-18)28-16-10-6-3-7-11-16/h2-13H,1H3,(H2,24,25,27)
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n/an/a 2.60E+4n/an/an/an/an/an/a



Biomedical Research Foundation Academy of Athens (BRFAA)

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha catalytic domain (unknown origin) using PIP2 liposomes as substrate in presence of biotin-labeled PIP3 and GST-GRP1-PH by str...


Eur J Med Chem 126: 954-968 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.025
BindingDB Entry DOI: 10.7270/Q2BC41SR
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Rattus norvegicus (rat))
BDBM50363555
PNG
(CHEMBL1946655)
Show SMILES O=C(Nc1ccccc1-c1ccccc1)c1no[nH]c1=O
Show InChI InChI=1S/C15H11N3O3/c19-14(13-15(20)18-21-17-13)16-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9H,(H,16,19)(H,18,20)
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n/an/a 4.50E+4n/an/an/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Inhibition of dihydroorotate dehydrogenase in Wistar rat liver mitochondrial/microsomal membranes measured for 5 mins by 2,6-dichlorophenolindophenol...


Eur J Med Chem 49: 102-9 (2012)


Article DOI: 10.1016/j.ejmech.2011.12.038
BindingDB Entry DOI: 10.7270/Q2H995NC
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Rattus norvegicus (rat))
BDBM50363556
PNG
(CHEMBL1946656)
Show SMILES FC(F)(F)c1ccc(cc1)-c1ccc(NC(=O)c2no[nH]c2=O)cc1
Show InChI InChI=1S/C16H10F3N3O3/c17-16(18,19)11-5-1-9(2-6-11)10-3-7-12(8-4-10)20-14(23)13-15(24)22-25-21-13/h1-8H,(H,20,23)(H,22,24)
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n/an/a 4.90E+4n/an/an/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Inhibition of dihydroorotate dehydrogenase in Wistar rat liver mitochondrial/microsomal membranes measured for 5 mins by 2,6-dichlorophenolindophenol...


Eur J Med Chem 49: 102-9 (2012)


Article DOI: 10.1016/j.ejmech.2011.12.038
BindingDB Entry DOI: 10.7270/Q2H995NC
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1/2A


(Rattus norvegicus (Rat)-RAT)
BDBM50318266
PNG
((+)-2-Amino-5-(4-hydroxy-1,2,5-oxadiazol-3-yl)pent...)
Show SMILES NC(CCCc1no[nH]c1=O)C(O)=O
Show InChI InChI=1S/C7H11N3O4/c8-4(7(12)13)2-1-3-5-6(11)10-14-9-5/h4H,1-3,8H2,(H,10,11)(H,12,13)
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n/an/a 2.45E+5n/an/an/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Antagonist activity at rat NR1/NR2A receptor expressed in BHK21 cells assessed as inhibition of (S)-Glu-induced intracellular calcium levels by FLIPR...


J Med Chem 53: 4110-8 (2010)


Article DOI: 10.1021/jm1001452
BindingDB Entry DOI: 10.7270/Q2RR206G
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1/2A


(Rattus norvegicus (Rat)-RAT)
BDBM50318266
PNG
((+)-2-Amino-5-(4-hydroxy-1,2,5-oxadiazol-3-yl)pent...)
Show SMILES NC(CCCc1no[nH]c1=O)C(O)=O
Show InChI InChI=1S/C7H11N3O4/c8-4(7(12)13)2-1-3-5-6(11)10-14-9-5/h4H,1-3,8H2,(H,10,11)(H,12,13)
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n/an/a 2.45E+5n/an/an/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Antagonist activity at rat NR1/NR2A receptor expressed in BHK21 cells assessed as inhibition of (S)-Glu-induced intracellular calcium levels by FLIPR...


J Med Chem 53: 4110-8 (2010)


Article DOI: 10.1021/jm1001452
BindingDB Entry DOI: 10.7270/Q2RR206G
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1/2A


(Rattus norvegicus (Rat)-RAT)
BDBM50318265
PNG
((+)-2-Amino-4-(4-hydroxy-1,2,5-oxadiazol-3-yl)buta...)
Show SMILES NC(CCc1no[nH]c1=O)C(O)=O
Show InChI InChI=1S/C6H9N3O4/c7-3(6(11)12)1-2-4-5(10)9-13-8-4/h3H,1-2,7H2,(H,9,10)(H,11,12)
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n/an/a 1.02E+6n/an/an/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Antagonist activity at rat NR1/NR2A receptor expressed in BHK21 cells assessed as inhibition of (S)-Glu-induced intracellular calcium levels by FLIPR...


J Med Chem 53: 4110-8 (2010)


Article DOI: 10.1021/jm1001452
BindingDB Entry DOI: 10.7270/Q2RR206G
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1/2A


(Rattus norvegicus (Rat)-RAT)
BDBM50318265
PNG
((+)-2-Amino-4-(4-hydroxy-1,2,5-oxadiazol-3-yl)buta...)
Show SMILES NC(CCc1no[nH]c1=O)C(O)=O
Show InChI InChI=1S/C6H9N3O4/c7-3(6(11)12)1-2-4-5(10)9-13-8-4/h3H,1-2,7H2,(H,9,10)(H,11,12)
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n/an/a 1.02E+6n/an/an/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Antagonist activity at rat NR1/NR2A receptor expressed in BHK21 cells assessed as inhibition of (S)-Glu-induced intracellular calcium levels by FLIPR...


J Med Chem 53: 4110-8 (2010)


Article DOI: 10.1021/jm1001452
BindingDB Entry DOI: 10.7270/Q2RR206G
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1/2A


(Rattus norvegicus (Rat)-RAT)
BDBM50318264
PNG
((+)-2-Amino-3-(4-hydroxy-1,2,5-oxadiazol-3-yl)prop...)
Show SMILES NC(Cc1no[nH]c1=O)C(O)=O
Show InChI InChI=1S/C5H7N3O4/c6-2(5(10)11)1-3-4(9)8-12-7-3/h2H,1,6H2,(H,8,9)(H,10,11)
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n/an/an/an/a 4.70E+4n/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Agonist activity at rat NR1/NR2A receptor expressed in BHK21 cells assessed as change in intracellular calcium levels by FLIPR assay


J Med Chem 53: 4110-8 (2010)


Article DOI: 10.1021/jm1001452
BindingDB Entry DOI: 10.7270/Q2RR206G
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1/2A


(Rattus norvegicus (Rat)-RAT)
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 1.80E+3n/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Agonist activity at rat NR1/NR2A receptor expressed in BHK21 cells assessed as change in intracellular calcium levels by FLIPR assay


J Med Chem 53: 4110-8 (2010)


Article DOI: 10.1021/jm1001452
BindingDB Entry DOI: 10.7270/Q2RR206G
More data for this
Ligand-Target Pair
Glutamate receptor 2


(Homo sapiens (Human))
BDBM50318266
PNG
((+)-2-Amino-5-(4-hydroxy-1,2,5-oxadiazol-3-yl)pent...)
Show SMILES NC(CCCc1no[nH]c1=O)C(O)=O
Show InChI InChI=1S/C7H11N3O4/c8-4(7(12)13)2-1-3-5-6(11)10-14-9-5/h4H,1-3,8H2,(H,10,11)(H,12,13)
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n/an/an/an/a 4.91E+5n/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Activity at recombinant iGluR2 receptor expressed in Xenopus laevis oocytes using holding potential of -15 to -20 mV by TEVC electrophysiology


J Med Chem 53: 4110-8 (2010)


Article DOI: 10.1021/jm1001452
BindingDB Entry DOI: 10.7270/Q2RR206G
More data for this
Ligand-Target Pair
Glutamate receptor 2


(Homo sapiens (Human))
BDBM50318265
PNG
((+)-2-Amino-4-(4-hydroxy-1,2,5-oxadiazol-3-yl)buta...)
Show SMILES NC(CCc1no[nH]c1=O)C(O)=O
Show InChI InChI=1S/C6H9N3O4/c7-3(6(11)12)1-2-4-5(10)9-13-8-4/h3H,1-2,7H2,(H,9,10)(H,11,12)
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n/an/an/an/a 4.89E+5n/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Activity at recombinant iGluR2 receptor expressed in Xenopus laevis oocytes using holding potential of -15 to -20 mV by TEVC electrophysiology


J Med Chem 53: 4110-8 (2010)


Article DOI: 10.1021/jm1001452
BindingDB Entry DOI: 10.7270/Q2RR206G
More data for this
Ligand-Target Pair
Glutamate receptor 2


(Homo sapiens (Human))
BDBM50318264
PNG
((+)-2-Amino-3-(4-hydroxy-1,2,5-oxadiazol-3-yl)prop...)
Show SMILES NC(Cc1no[nH]c1=O)C(O)=O
Show InChI InChI=1S/C5H7N3O4/c6-2(5(10)11)1-3-4(9)8-12-7-3/h2H,1,6H2,(H,8,9)(H,10,11)
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n/an/an/an/a 4.30E+4n/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Activity at recombinant iGluR2 receptor expressed in Xenopus laevis oocytes using holding potential of -15 to -20 mV by TEVC electrophysiology


J Med Chem 53: 4110-8 (2010)


Article DOI: 10.1021/jm1001452
BindingDB Entry DOI: 10.7270/Q2RR206G
More data for this
Ligand-Target Pair
Glutamate receptor 2


(Homo sapiens (Human))
BDBM50318264
PNG
((+)-2-Amino-3-(4-hydroxy-1,2,5-oxadiazol-3-yl)prop...)
Show SMILES NC(Cc1no[nH]c1=O)C(O)=O
Show InChI InChI=1S/C5H7N3O4/c6-2(5(10)11)1-3-4(9)8-12-7-3/h2H,1,6H2,(H,8,9)(H,10,11)
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UniChem
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n/an/an/an/a 4.30E+4n/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Activity at recombinant iGluR2 receptor expressed in Xenopus laevis oocytes using holding potential of -15 to -20 mV by TEVC electrophysiology


J Med Chem 53: 4110-8 (2010)


Article DOI: 10.1021/jm1001452
BindingDB Entry DOI: 10.7270/Q2RR206G
More data for this
Ligand-Target Pair
Glutamate receptor 2


(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 1.40E+4n/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Activity at recombinant iGluR2 receptor expressed in Xenopus laevis oocytes using holding potential of -15 to -20 mV by TEVC electrophysiology


J Med Chem 53: 4110-8 (2010)


Article DOI: 10.1021/jm1001452
BindingDB Entry DOI: 10.7270/Q2RR206G
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1/2A


(Rattus norvegicus (Rat)-RAT)
BDBM50318264
PNG
((+)-2-Amino-3-(4-hydroxy-1,2,5-oxadiazol-3-yl)prop...)
Show SMILES NC(Cc1no[nH]c1=O)C(O)=O
Show InChI InChI=1S/C5H7N3O4/c6-2(5(10)11)1-3-4(9)8-12-7-3/h2H,1,6H2,(H,8,9)(H,10,11)
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n/an/an/an/a 4.70E+4n/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Agonist activity at rat NR1/NR2A receptor expressed in BHK21 cells assessed as change in intracellular calcium levels by FLIPR assay


J Med Chem 53: 4110-8 (2010)


Article DOI: 10.1021/jm1001452
BindingDB Entry DOI: 10.7270/Q2RR206G
More data for this
Ligand-Target Pair