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Compile Data Set for Download or QSAR

Found 2226 hits with Last Name = 'nielsen' and Initial = 'b'   
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
GRIA3


(RAT)
BDBM50166288
PNG
((S)-2-Amino-3-[3-hydroxy-5-(2-methyl-2H-tetrazol-5...)
Show SMILES Cn1nnc(n1)-c1o[nH]c(=O)c1C[C@H](N)C(O)=O
Show InChI InChI=1S/C8H10N6O4/c1-14-11-6(10-13-14)5-3(7(15)12-18-5)2-4(9)8(16)17/h4H,2,9H2,1H3,(H,12,15)(H,16,17)/t4-/m0/s1
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0.00220n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]AMPA from rat recombinant GluR3 expressed in Sf9 cells


J Med Chem 50: 2408-14 (2007)


Article DOI: 10.1021/jm061439q
BindingDB Entry DOI: 10.7270/Q2DZ0809
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, AMPA 4


(Rattus norvegicus)
BDBM50166288
PNG
((S)-2-Amino-3-[3-hydroxy-5-(2-methyl-2H-tetrazol-5...)
Show SMILES Cn1nnc(n1)-c1o[nH]c(=O)c1C[C@H](N)C(O)=O
Show InChI InChI=1S/C8H10N6O4/c1-14-11-6(10-13-14)5-3(7(15)12-18-5)2-4(9)8(16)17/h4H,2,9H2,1H3,(H,12,15)(H,16,17)/t4-/m0/s1
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0.00270n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]AMPA from rat recombinant GluR4 expressed in Sf9 cells


J Med Chem 50: 2408-14 (2007)


Article DOI: 10.1021/jm061439q
BindingDB Entry DOI: 10.7270/Q2DZ0809
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, AMPA 2


(Rattus norvegicus)
BDBM50166288
PNG
((S)-2-Amino-3-[3-hydroxy-5-(2-methyl-2H-tetrazol-5...)
Show SMILES Cn1nnc(n1)-c1o[nH]c(=O)c1C[C@H](N)C(O)=O
Show InChI InChI=1S/C8H10N6O4/c1-14-11-6(10-13-14)5-3(7(15)12-18-5)2-4(9)8(16)17/h4H,2,9H2,1H3,(H,12,15)(H,16,17)/t4-/m0/s1
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0.00390n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]AMPA from rat recombinant GluR2 expressed in Sf9 cells


J Med Chem 50: 2408-14 (2007)


Article DOI: 10.1021/jm061439q
BindingDB Entry DOI: 10.7270/Q2DZ0809
More data for this
Ligand-Target Pair
Glutamate receptor 1 (GluA1)


(Rattus norvegicus (Rat))
BDBM50166288
PNG
((S)-2-Amino-3-[3-hydroxy-5-(2-methyl-2H-tetrazol-5...)
Show SMILES Cn1nnc(n1)-c1o[nH]c(=O)c1C[C@H](N)C(O)=O
Show InChI InChI=1S/C8H10N6O4/c1-14-11-6(10-13-14)5-3(7(15)12-18-5)2-4(9)8(16)17/h4H,2,9H2,1H3,(H,12,15)(H,16,17)/t4-/m0/s1
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0.00520n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]AMPA from rat recombinant GluR1 expressed in Sf9 cells


J Med Chem 50: 2408-14 (2007)


Article DOI: 10.1021/jm061439q
BindingDB Entry DOI: 10.7270/Q2DZ0809
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, AMPA 2


(Rattus norvegicus)
BDBM50002370
PNG
((R,S)-alpha-amino-3-hydroxy-5-methyl-4-isooxazole-...)
Show SMILES Cc1o[nH]c(=O)c1CC(N)C(O)=O
Show InChI InChI=1S/C7H10N2O4/c1-3-4(6(10)9-13-3)2-5(8)7(11)12/h5H,2,8H2,1H3,(H,9,10)(H,11,12)
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0.0170n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]AMPA from rat recombinant GluR2 expressed in Sf9 cells


J Med Chem 50: 2408-14 (2007)


Article DOI: 10.1021/jm061439q
BindingDB Entry DOI: 10.7270/Q2DZ0809
More data for this
Ligand-Target Pair
GRIA3


(RAT)
BDBM50002370
PNG
((R,S)-alpha-amino-3-hydroxy-5-methyl-4-isooxazole-...)
Show SMILES Cc1o[nH]c(=O)c1CC(N)C(O)=O
Show InChI InChI=1S/C7H10N2O4/c1-3-4(6(10)9-13-3)2-5(8)7(11)12/h5H,2,8H2,1H3,(H,9,10)(H,11,12)
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0.0210n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]AMPA from rat recombinant GluR3 expressed in Sf9 cells


J Med Chem 50: 2408-14 (2007)


Article DOI: 10.1021/jm061439q
BindingDB Entry DOI: 10.7270/Q2DZ0809
More data for this
Ligand-Target Pair
Glutamate receptor 1 (GluA1)


(Rattus norvegicus (Rat))
BDBM50002370
PNG
((R,S)-alpha-amino-3-hydroxy-5-methyl-4-isooxazole-...)
Show SMILES Cc1o[nH]c(=O)c1CC(N)C(O)=O
Show InChI InChI=1S/C7H10N2O4/c1-3-4(6(10)9-13-3)2-5(8)7(11)12/h5H,2,8H2,1H3,(H,9,10)(H,11,12)
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0.0220n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]AMPA from rat recombinant GluR1 expressed in Sf9 cells


J Med Chem 50: 2408-14 (2007)


Article DOI: 10.1021/jm061439q
BindingDB Entry DOI: 10.7270/Q2DZ0809
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, AMPA 4


(Rattus norvegicus)
BDBM50002370
PNG
((R,S)-alpha-amino-3-hydroxy-5-methyl-4-isooxazole-...)
Show SMILES Cc1o[nH]c(=O)c1CC(N)C(O)=O
Show InChI InChI=1S/C7H10N2O4/c1-3-4(6(10)9-13-3)2-5(8)7(11)12/h5H,2,8H2,1H3,(H,9,10)(H,11,12)
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0.0400n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]AMPA from rat recombinant GluR4 expressed in Sf9 cells


J Med Chem 50: 2408-14 (2007)


Article DOI: 10.1021/jm061439q
BindingDB Entry DOI: 10.7270/Q2DZ0809
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, AMPA 4


(Rattus norvegicus)
BDBM50166286
PNG
((RS)-2-amino-3-[3-hydroxy-5-(2-ethyl-2H-5-tetrazol...)
Show SMILES CCn1nnc(n1)-c1o[nH]c(=O)c1CC(N)C(O)=O
Show InChI InChI=1S/C9H12N6O4/c1-2-15-12-7(11-14-15)6-4(8(16)13-19-6)3-5(10)9(17)18/h5H,2-3,10H2,1H3,(H,13,16)(H,17,18)
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0.0440n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]AMPA from rat recombinant GluR4 expressed in Sf9 cells


J Med Chem 50: 2408-14 (2007)


Article DOI: 10.1021/jm061439q
BindingDB Entry DOI: 10.7270/Q2DZ0809
More data for this
Ligand-Target Pair
GRIA3


(RAT)
BDBM50166286
PNG
((RS)-2-amino-3-[3-hydroxy-5-(2-ethyl-2H-5-tetrazol...)
Show SMILES CCn1nnc(n1)-c1o[nH]c(=O)c1CC(N)C(O)=O
Show InChI InChI=1S/C9H12N6O4/c1-2-15-12-7(11-14-15)6-4(8(16)13-19-6)3-5(10)9(17)18/h5H,2-3,10H2,1H3,(H,13,16)(H,17,18)
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0.0450n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]AMPA from rat recombinant GluR3 expressed in Sf9 cells


J Med Chem 50: 2408-14 (2007)


Article DOI: 10.1021/jm061439q
BindingDB Entry DOI: 10.7270/Q2DZ0809
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, AMPA 2


(Rattus norvegicus)
BDBM50166286
PNG
((RS)-2-amino-3-[3-hydroxy-5-(2-ethyl-2H-5-tetrazol...)
Show SMILES CCn1nnc(n1)-c1o[nH]c(=O)c1CC(N)C(O)=O
Show InChI InChI=1S/C9H12N6O4/c1-2-15-12-7(11-14-15)6-4(8(16)13-19-6)3-5(10)9(17)18/h5H,2-3,10H2,1H3,(H,13,16)(H,17,18)
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0.0800n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]AMPA from rat recombinant GluR2 expressed in Sf9 cells


J Med Chem 50: 2408-14 (2007)


Article DOI: 10.1021/jm061439q
BindingDB Entry DOI: 10.7270/Q2DZ0809
More data for this
Ligand-Target Pair
Glutamate kainate


(RAT)
BDBM50166288
PNG
((S)-2-Amino-3-[3-hydroxy-5-(2-methyl-2H-tetrazol-5...)
Show SMILES Cn1nnc(n1)-c1o[nH]c(=O)c1C[C@H](N)C(O)=O
Show InChI InChI=1S/C8H10N6O4/c1-14-11-6(10-13-14)5-3(7(15)12-18-5)2-4(9)8(16)17/h4H,2,9H2,1H3,(H,12,15)(H,16,17)/t4-/m0/s1
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0.0810n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]SYM 2081 from rat recombinant GluR5 expressed in Sf9 cells


J Med Chem 50: 2408-14 (2007)


Article DOI: 10.1021/jm061439q
BindingDB Entry DOI: 10.7270/Q2DZ0809
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM82247
PNG
(8-Chloro-3-methyl-5-phenyl-2,3,4,5-tetrahydro-1H-b...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@H](C1)c1ccccc1
Show InChI InChI=1S/C17H18ClNO/c1-19-8-7-13-9-16(18)17(20)10-14(13)15(11-19)12-5-3-2-4-6-12/h2-6,9-10,15,20H,7-8,11H2,1H3/t15-/m1/s1
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0.140n/an/an/an/an/an/an/an/a



Novo Nordisk

Curated by PDSP Ki Database




Eur J Pharmacol 219: 45-52 (1992)


BindingDB Entry DOI: 10.7270/Q2H70D9P
More data for this
Ligand-Target Pair
Glutamate receptor 1 (GluA1)


(Rattus norvegicus (Rat))
BDBM50166286
PNG
((RS)-2-amino-3-[3-hydroxy-5-(2-ethyl-2H-5-tetrazol...)
Show SMILES CCn1nnc(n1)-c1o[nH]c(=O)c1CC(N)C(O)=O
Show InChI InChI=1S/C9H12N6O4/c1-2-15-12-7(11-14-15)6-4(8(16)13-19-6)3-5(10)9(17)18/h5H,2-3,10H2,1H3,(H,13,16)(H,17,18)
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0.150n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]AMPA from rat recombinant GluR1 expressed in Sf9 cells


J Med Chem 50: 2408-14 (2007)


Article DOI: 10.1021/jm061439q
BindingDB Entry DOI: 10.7270/Q2DZ0809
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM81778
PNG
(CAS_132421 | NNC-756 | NSC_132421)
Show SMILES CN1CCc2cc(Cl)c(O)cc2C(C1)c1cccc2CCOc12
Show InChI InChI=1S/C19H20ClNO2/c1-21-7-5-13-9-17(20)18(22)10-15(13)16(11-21)14-4-2-3-12-6-8-23-19(12)14/h2-4,9-10,16,22H,5-8,11H2,1H3
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0.170n/an/an/an/an/an/an/an/a



Novo Nordisk

Curated by PDSP Ki Database




Eur J Pharmacol 219: 45-52 (1992)


BindingDB Entry DOI: 10.7270/Q2H70D9P
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50010709
PNG
(5-Benzofuran-7-yl-8-chloro-3-methyl-2,3,4,5-tetrah...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@H](C1)c1cccc2ccoc12
Show InChI InChI=1S/C19H18ClNO2/c1-21-7-5-13-9-17(20)18(22)10-15(13)16(11-21)14-4-2-3-12-6-8-23-19(12)14/h2-4,6,8-10,16,22H,5,7,11H2,1H3/t16-/m1/s1
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0.180n/an/an/an/an/an/an/an/a



Novo Nordisk

Curated by PDSP Ki Database




Eur J Pharmacol 219: 45-52 (1992)


BindingDB Entry DOI: 10.7270/Q2H70D9P
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, AMPA 4


(Rattus norvegicus)
BDBM50211399
PNG
((RS)-2-amino-3-[3-hydroxy-5-(2-benzyl-2H-5-tetrazo...)
Show SMILES NC(Cc1c(o[nH]c1=O)-c1nnn(Cc2ccccc2)n1)C(O)=O
Show InChI InChI=1S/C14H14N6O4/c15-10(14(22)23)6-9-11(24-18-13(9)21)12-16-19-20(17-12)7-8-4-2-1-3-5-8/h1-5,10H,6-7,15H2,(H,18,21)(H,22,23)
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0.200n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]AMPA from rat recombinant GluR4 expressed in Sf9 cells


J Med Chem 50: 2408-14 (2007)


Article DOI: 10.1021/jm061439q
BindingDB Entry DOI: 10.7270/Q2DZ0809
More data for this
Ligand-Target Pair
GRIA3


(RAT)
BDBM50211399
PNG
((RS)-2-amino-3-[3-hydroxy-5-(2-benzyl-2H-5-tetrazo...)
Show SMILES NC(Cc1c(o[nH]c1=O)-c1nnn(Cc2ccccc2)n1)C(O)=O
Show InChI InChI=1S/C14H14N6O4/c15-10(14(22)23)6-9-11(24-18-13(9)21)12-16-19-20(17-12)7-8-4-2-1-3-5-8/h1-5,10H,6-7,15H2,(H,18,21)(H,22,23)
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0.390n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]AMPA from rat recombinant GluR3 expressed in Sf9 cells


J Med Chem 50: 2408-14 (2007)


Article DOI: 10.1021/jm061439q
BindingDB Entry DOI: 10.7270/Q2DZ0809
More data for this
Ligand-Target Pair
Glutamate kainate


(RAT)
BDBM50031704
PNG
((2S,4R)-2-Amino-4-methyl-pentanedioic acid | (2S,4...)
Show SMILES C[C@H](C[C@H](N)C(O)=O)C(O)=O
Show InChI InChI=1S/C6H11NO4/c1-3(5(8)9)2-4(7)6(10)11/h3-4H,2,7H2,1H3,(H,8,9)(H,10,11)/t3-,4+/m1/s1
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0.663n/an/an/an/an/an/an/an/a



Universite Blaise Pascal

Curated by ChEMBL


Assay Description
Displacement of [3H]SYM2081 from rat recombinant iGluR5


J Med Chem 51: 4093-103 (2008)


Article DOI: 10.1021/jm800092x
BindingDB Entry DOI: 10.7270/Q20V8DP6
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, AMPA 4


(Rattus norvegicus)
BDBM50166285
PNG
((RS)-2-amino-3-[3-hydroxy-5-(2-propyl-2H-5-tetrazo...)
Show SMILES CCCn1nnc(n1)-c1o[nH]c(=O)c1CC(N)C(O)=O
Show InChI InChI=1S/C10H14N6O4/c1-2-3-16-13-8(12-15-16)7-5(9(17)14-20-7)4-6(11)10(18)19/h6H,2-4,11H2,1H3,(H,14,17)(H,18,19)
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0.730n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]AMPA from rat recombinant GluR4 expressed in Sf9 cells


J Med Chem 50: 2408-14 (2007)


Article DOI: 10.1021/jm061439q
BindingDB Entry DOI: 10.7270/Q2DZ0809
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, AMPA 2


(Rattus norvegicus)
BDBM50211399
PNG
((RS)-2-amino-3-[3-hydroxy-5-(2-benzyl-2H-5-tetrazo...)
Show SMILES NC(Cc1c(o[nH]c1=O)-c1nnn(Cc2ccccc2)n1)C(O)=O
Show InChI InChI=1S/C14H14N6O4/c15-10(14(22)23)6-9-11(24-18-13(9)21)12-16-19-20(17-12)7-8-4-2-1-3-5-8/h1-5,10H,6-7,15H2,(H,18,21)(H,22,23)
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0.75n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]AMPA from rat recombinant GluR2 expressed in Sf9 cells


J Med Chem 50: 2408-14 (2007)


Article DOI: 10.1021/jm061439q
BindingDB Entry DOI: 10.7270/Q2DZ0809
More data for this
Ligand-Target Pair
Glutamate kainate


(RAT)
BDBM50252103
PNG
((2S,3S,4S)-2-CARBOXY-4-[(1Z,3E,5R)-5-CARBOXY-1-MET...)
Show SMILES C[C@H](\C=C\C=C(/C)[C@H]1CN[C@@H]([C@H]1CC(O)=O)C(O)=O)C(O)=O
Show InChI InChI=1S/C15H21NO6/c1-8(4-3-5-9(2)14(19)20)11-7-16-13(15(21)22)10(11)6-12(17)18/h3-5,9-11,13,16H,6-7H2,1-2H3,(H,17,18)(H,19,20)(H,21,22)/b5-3+,8-4+/t9-,10+,11-,13+/m1/s1
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1.11n/an/an/an/an/an/an/an/a



Universite Blaise Pascal

Curated by ChEMBL


Assay Description
Displacement of [3H]SYM2081 from rat recombinant iGluR5


J Med Chem 51: 4093-103 (2008)


Article DOI: 10.1021/jm800092x
BindingDB Entry DOI: 10.7270/Q20V8DP6
More data for this
Ligand-Target Pair
GABA receptor alpha-1/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50182527
PNG
(4-(3,3-diphenyl-1-propyl)-5-(4-piperidyl)isothiazo...)
Show SMILES O=c1[nH]sc(C2CCNCC2)c1CCC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C23H26N2OS/c26-23-21(22(27-25-23)19-13-15-24-16-14-19)12-11-20(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,19-20,24H,11-16H2,(H,25,26)
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1.20n/an/an/an/an/an/an/an/a



The Danish University of Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Binding affinity at human GABAA alpha1beta3gamma2S expressed in Xenopus oocytes by voltage-clamp electrophysiology


J Med Chem 49: 1388-96 (2006)


Article DOI: 10.1021/jm050987l
BindingDB Entry DOI: 10.7270/Q2VD6Z1T
More data for this
Ligand-Target Pair
Glutamate kainate


(RAT)
BDBM50002370
PNG
((R,S)-alpha-amino-3-hydroxy-5-methyl-4-isooxazole-...)
Show SMILES Cc1o[nH]c(=O)c1CC(N)C(O)=O
Show InChI InChI=1S/C7H10N2O4/c1-3-4(6(10)9-13-3)2-5(8)7(11)12/h5H,2,8H2,1H3,(H,9,10)(H,11,12)
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1.20n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]SYM 2081 from rat recombinant GluR5 expressed in Sf9 cells


J Med Chem 50: 2408-14 (2007)


Article DOI: 10.1021/jm061439q
BindingDB Entry DOI: 10.7270/Q2DZ0809
More data for this
Ligand-Target Pair
GRIA3


(RAT)
BDBM50166285
PNG
((RS)-2-amino-3-[3-hydroxy-5-(2-propyl-2H-5-tetrazo...)
Show SMILES CCCn1nnc(n1)-c1o[nH]c(=O)c1CC(N)C(O)=O
Show InChI InChI=1S/C10H14N6O4/c1-2-3-16-13-8(12-15-16)7-5(9(17)14-20-7)4-6(11)10(18)19/h6H,2-4,11H2,1H3,(H,14,17)(H,18,19)
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1.20n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]AMPA from rat recombinant GluR3 expressed in Sf9 cells


J Med Chem 50: 2408-14 (2007)


Article DOI: 10.1021/jm061439q
BindingDB Entry DOI: 10.7270/Q2DZ0809
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, AMPA 2


(Rattus norvegicus)
BDBM50166285
PNG
((RS)-2-amino-3-[3-hydroxy-5-(2-propyl-2H-5-tetrazo...)
Show SMILES CCCn1nnc(n1)-c1o[nH]c(=O)c1CC(N)C(O)=O
Show InChI InChI=1S/C10H14N6O4/c1-2-3-16-13-8(12-15-16)7-5(9(17)14-20-7)4-6(11)10(18)19/h6H,2-4,11H2,1H3,(H,14,17)(H,18,19)
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1.60n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]AMPA from rat recombinant GluR2 expressed in Sf9 cells


J Med Chem 50: 2408-14 (2007)


Article DOI: 10.1021/jm061439q
BindingDB Entry DOI: 10.7270/Q2DZ0809
More data for this
Ligand-Target Pair
Glutamate kainate


(RAT)
BDBM50126763
PNG
((S)-2-amino-3-(3-hydroxy-5-tert-butyl-4-isoxazolyl...)
Show SMILES CC(C)(C)c1o[nH]c(=O)c1C[C@H](N)C(O)=O
Show InChI InChI=1S/C10H16N2O4/c1-10(2,3)7-5(8(13)12-16-7)4-6(11)9(14)15/h6H,4,11H2,1-3H3,(H,12,13)(H,14,15)/t6-/m0/s1
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2.13n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]SYM from rat recombinant GluR5(Q) RNA-edited isoform expressed in baculovirus infected Sf9 cells


J Med Chem 52: 4911-22 (2009)

Checked by Author
Article DOI: 10.1021/jm900565c
BindingDB Entry DOI: 10.7270/Q2R49RP9
More data for this
Ligand-Target Pair
Adenylate cyclase


(Rattus norvegicus)
BDBM81778
PNG
(CAS_132421 | NNC-756 | NSC_132421)
Show SMILES CN1CCc2cc(Cl)c(O)cc2C(C1)c1cccc2CCOc12
Show InChI InChI=1S/C19H20ClNO2/c1-21-7-5-13-9-17(20)18(22)10-15(13)16(11-21)14-4-2-3-12-6-8-23-19(12)14/h2-4,9-10,16,22H,5-8,11H2,1H3
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2.20n/an/an/an/an/an/an/an/a



Novo Nordisk

Curated by PDSP Ki Database




Eur J Pharmacol 219: 45-52 (1992)


BindingDB Entry DOI: 10.7270/Q2H70D9P
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic AMPA


(Homo sapiens (Human))
BDBM50166288
PNG
((S)-2-Amino-3-[3-hydroxy-5-(2-methyl-2H-tetrazol-5...)
Show SMILES Cn1nnc(n1)-c1o[nH]c(=O)c1C[C@H](N)C(O)=O
Show InChI InChI=1S/C8H10N6O4/c1-14-11-6(10-13-14)5-3(7(15)12-18-5)2-4(9)8(16)17/h4H,2,9H2,1H3,(H,12,15)(H,16,17)/t4-/m0/s1
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2.24n/an/an/an/an/an/an/an/a



The Danish University of Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Binding affinity for ionotropic Glutamate receptor AMPA 3 expressed in Sf9 cells


J Med Chem 48: 3438-42 (2005)


Article DOI: 10.1021/jm050014l
BindingDB Entry DOI: 10.7270/Q2H70FBJ
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, AMPA 4


(Rattus norvegicus)
BDBM50166287
PNG
((RS)-2-amino-3-[3-hydroxy-5-(2-isopropyl-2H-5-tetr...)
Show SMILES CC(C)n1nnc(n1)-c1o[nH]c(=O)c1CC(N)C(O)=O
Show InChI InChI=1S/C10H14N6O4/c1-4(2)16-13-8(12-15-16)7-5(9(17)14-20-7)3-6(11)10(18)19/h4,6H,3,11H2,1-2H3,(H,14,17)(H,18,19)
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2.40n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]AMPA from rat recombinant GluR4 expressed in Sf9 cells


J Med Chem 50: 2408-14 (2007)


Article DOI: 10.1021/jm061439q
BindingDB Entry DOI: 10.7270/Q2DZ0809
More data for this
Ligand-Target Pair
Glutamate kainate


(RAT)
BDBM50126764
PNG
((S)-2-amino-3-(3-hydroxy-7,8-dihydro-6H-cyclohepta...)
Show SMILES N[C@@H](CC1=CCCCc2o[nH]c(=O)c12)C(O)=O
Show InChI InChI=1S/C11H14N2O4/c12-7(11(15)16)5-6-3-1-2-4-8-9(6)10(14)13-17-8/h3,7H,1-2,4-5,12H2,(H,13,14)(H,15,16)/t7-/m0/s1
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2.57n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]SYM from rat recombinant GluR5(Q) RNA-edited isoform expressed in baculovirus infected Sf9 cells


J Med Chem 52: 4911-22 (2009)

Checked by Author
Article DOI: 10.1021/jm900565c
BindingDB Entry DOI: 10.7270/Q2R49RP9
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic AMPA


(Homo sapiens (Human))
BDBM50166288
PNG
((S)-2-Amino-3-[3-hydroxy-5-(2-methyl-2H-tetrazol-5...)
Show SMILES Cn1nnc(n1)-c1o[nH]c(=O)c1C[C@H](N)C(O)=O
Show InChI InChI=1S/C8H10N6O4/c1-14-11-6(10-13-14)5-3(7(15)12-18-5)2-4(9)8(16)17/h4H,2,9H2,1H3,(H,12,15)(H,16,17)/t4-/m0/s1
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2.70n/an/an/an/an/an/an/an/a



The Danish University of Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Binding affinity for ionotropic Glutamate receptor AMPA 4 expressed in Sf9 cells


J Med Chem 48: 3438-42 (2005)


Article DOI: 10.1021/jm050014l
BindingDB Entry DOI: 10.7270/Q2H70FBJ
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Adenylate cyclase


(Rattus norvegicus)
BDBM50010709
PNG
(5-Benzofuran-7-yl-8-chloro-3-methyl-2,3,4,5-tetrah...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@H](C1)c1cccc2ccoc12
Show InChI InChI=1S/C19H18ClNO2/c1-21-7-5-13-9-17(20)18(22)10-15(13)16(11-21)14-4-2-3-12-6-8-23-19(12)14/h2-4,6,8-10,16,22H,5,7,11H2,1H3/t16-/m1/s1
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2.80n/an/an/an/an/an/an/an/a



Novo Nordisk

Curated by PDSP Ki Database




Eur J Pharmacol 219: 45-52 (1992)


BindingDB Entry DOI: 10.7270/Q2H70D9P
More data for this
Ligand-Target Pair
Glutamate kainate


(RAT)
BDBM50166286
PNG
((RS)-2-amino-3-[3-hydroxy-5-(2-ethyl-2H-5-tetrazol...)
Show SMILES CCn1nnc(n1)-c1o[nH]c(=O)c1CC(N)C(O)=O
Show InChI InChI=1S/C9H12N6O4/c1-2-15-12-7(11-14-15)6-4(8(16)13-19-6)3-5(10)9(17)18/h5H,2-3,10H2,1H3,(H,13,16)(H,17,18)
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2.90n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]SYM 2081 from rat recombinant GluR5 expressed in Sf9 cells


J Med Chem 50: 2408-14 (2007)


Article DOI: 10.1021/jm061439q
BindingDB Entry DOI: 10.7270/Q2DZ0809
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, AMPA 2


(Rattus norvegicus)
BDBM50166287
PNG
((RS)-2-amino-3-[3-hydroxy-5-(2-isopropyl-2H-5-tetr...)
Show SMILES CC(C)n1nnc(n1)-c1o[nH]c(=O)c1CC(N)C(O)=O
Show InChI InChI=1S/C10H14N6O4/c1-4(2)16-13-8(12-15-16)7-5(9(17)14-20-7)3-6(11)10(18)19/h4,6H,3,11H2,1-2H3,(H,14,17)(H,18,19)
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2.90n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]AMPA from rat recombinant GluR2 expressed in Sf9 cells


J Med Chem 50: 2408-14 (2007)


Article DOI: 10.1021/jm061439q
BindingDB Entry DOI: 10.7270/Q2DZ0809
More data for this
Ligand-Target Pair
GABA receptor alpha-1/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50182520
PNG
(4-((1-bromo-2-naphthyl)methyl)-5-(4-piperidyl)isot...)
Show SMILES Brc1c(Cc2c(s[nH]c2=O)C2CCNCC2)ccc2ccccc12
Show InChI InChI=1S/C19H19BrN2OS/c20-17-14(6-5-12-3-1-2-4-15(12)17)11-16-18(24-22-19(16)23)13-7-9-21-10-8-13/h1-6,13,21H,7-11H2,(H,22,23)
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3n/an/an/an/an/an/an/an/a



The Danish University of Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Binding affinity at human GABAA alpha1beta3gamma2S expressed in Xenopus oocytes by voltage-clamp electrophysiology


J Med Chem 49: 1388-96 (2006)


Article DOI: 10.1021/jm050987l
BindingDB Entry DOI: 10.7270/Q2VD6Z1T
More data for this
Ligand-Target Pair
Glutamate kainate


(RAT)
BDBM50426285
PNG
(CHEMBL2312403)
Show SMILES CN(O)C(=O)CC[C@H](C[C@H](N)C(O)=O)C(O)=O
Show InChI InChI=1S/C9H16N2O6/c1-11(17)7(12)3-2-5(8(13)14)4-6(10)9(15)16/h5-6,17H,2-4,10H2,1H3,(H,13,14)(H,15,16)/t5-,6+/m1/s1
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3.40n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]-(2S,4R)-4-methylglutamic acid from full length recombinant rat GluKK1(Q)1b receptor expressed in sf9 cells by liquid scintillati...


J Med Chem 56: 1614-28 (2013)


Article DOI: 10.1021/jm301433m
BindingDB Entry DOI: 10.7270/Q23F4R0N
More data for this
Ligand-Target Pair
GRIA3


(RAT)
BDBM50166287
PNG
((RS)-2-amino-3-[3-hydroxy-5-(2-isopropyl-2H-5-tetr...)
Show SMILES CC(C)n1nnc(n1)-c1o[nH]c(=O)c1CC(N)C(O)=O
Show InChI InChI=1S/C10H14N6O4/c1-4(2)16-13-8(12-15-16)7-5(9(17)14-20-7)3-6(11)10(18)19/h4,6H,3,11H2,1-2H3,(H,14,17)(H,18,19)
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3.70n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]AMPA from rat recombinant GluR3 expressed in Sf9 cells


J Med Chem 50: 2408-14 (2007)


Article DOI: 10.1021/jm061439q
BindingDB Entry DOI: 10.7270/Q2DZ0809
More data for this
Ligand-Target Pair
Glutamate kainate


(RAT)
BDBM50252051
PNG
((2S,4R)-2-amino-4-(3-(methylamino)-3-oxopropyl)pen...)
Show SMILES CNC(=O)CC[C@H](C[C@H](N)C(O)=O)C(O)=O
Show InChI InChI=1S/C9H16N2O5/c1-11-7(12)3-2-5(8(13)14)4-6(10)9(15)16/h5-6H,2-4,10H2,1H3,(H,11,12)(H,13,14)(H,15,16)/t5-,6+/m1/s1
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3.81n/an/an/an/an/an/an/an/a



Universite Blaise Pascal

Curated by ChEMBL


Assay Description
Displacement of [3H]SYM2081 from rat recombinant iGluR5


J Med Chem 51: 4093-103 (2008)


Article DOI: 10.1021/jm800092x
BindingDB Entry DOI: 10.7270/Q20V8DP6
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, kainate


(Rattus norvegicus)
BDBM50252103
PNG
((2S,3S,4S)-2-CARBOXY-4-[(1Z,3E,5R)-5-CARBOXY-1-MET...)
Show SMILES C[C@H](\C=C\C=C(/C)[C@H]1CN[C@@H]([C@H]1CC(O)=O)C(O)=O)C(O)=O
Show InChI InChI=1S/C15H21NO6/c1-8(4-3-5-9(2)14(19)20)11-7-16-13(15(21)22)10(11)6-12(17)18/h3-5,9-11,13,16H,6-7H2,1-2H3,(H,17,18)(H,19,20)(H,21,22)/b5-3+,8-4+/t9-,10+,11-,13+/m1/s1
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3.84n/an/an/an/an/an/an/an/a



Universite Blaise Pascal

Curated by ChEMBL


Assay Description
Displacement of [3H]SYM2081 from rat recombinant iGluR7


J Med Chem 51: 4093-103 (2008)


Article DOI: 10.1021/jm800092x
BindingDB Entry DOI: 10.7270/Q20V8DP6
More data for this
Ligand-Target Pair
GRIA2


(Homo sapiens (Human))
BDBM50166288
PNG
((S)-2-Amino-3-[3-hydroxy-5-(2-methyl-2H-tetrazol-5...)
Show SMILES Cn1nnc(n1)-c1o[nH]c(=O)c1C[C@H](N)C(O)=O
Show InChI InChI=1S/C8H10N6O4/c1-14-11-6(10-13-14)5-3(7(15)12-18-5)2-4(9)8(16)17/h4H,2,9H2,1H3,(H,12,15)(H,16,17)/t4-/m0/s1
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3.89n/an/an/an/an/an/an/an/a



The Danish University of Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Binding affinity for ionotropic Glutamate receptor AMPA 2 expressed in Sf9 cells


J Med Chem 48: 3438-42 (2005)


Article DOI: 10.1021/jm050014l
BindingDB Entry DOI: 10.7270/Q2H70FBJ
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM81778
PNG
(CAS_132421 | NNC-756 | NSC_132421)
Show SMILES CN1CCc2cc(Cl)c(O)cc2C(C1)c1cccc2CCOc12
Show InChI InChI=1S/C19H20ClNO2/c1-21-7-5-13-9-17(20)18(22)10-15(13)16(11-21)14-4-2-3-12-6-8-23-19(12)14/h2-4,9-10,16,22H,5-8,11H2,1H3
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4.5n/an/an/an/an/an/an/an/a



Novo Nordisk

Curated by PDSP Ki Database




Eur J Pharmacol 219: 45-52 (1992)


BindingDB Entry DOI: 10.7270/Q2H70D9P
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic kainate 4


(Rattus norvegicus)
BDBM50002369
PNG
((2S-(2alpha,3beta,4beta))-2-carboxy-4-(1-methyleth...)
Show SMILES CC(=C)[C@H]1CN[C@@H]([C@H]1CC(O)=O)C(O)=O
Show InChI InChI=1S/C10H15NO4/c1-5(2)7-4-11-9(10(14)15)6(7)3-8(12)13/h6-7,9,11H,1,3-4H2,2H3,(H,12,13)(H,14,15)/t6-,7+,9-/m0/s1
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4.70n/an/an/an/an/an/an/an/a



Universite Blaise Pascal

Curated by ChEMBL


Assay Description
Binding affinity to rat cloned KA1 receptor


J Med Chem 51: 4093-103 (2008)


Article DOI: 10.1021/jm800092x
BindingDB Entry DOI: 10.7270/Q20V8DP6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glutamate kainate


(RAT)
BDBM50295042
PNG
((S)-2-Amino-3-((RS)-3-hydroxy-8-methyl-7,8-dihydro...)
Show SMILES CC1CCC=C(C[C@H](N)C(O)=O)c2c1o[nH]c2=O
Show InChI InChI=1S/C12H16N2O4/c1-6-3-2-4-7(5-8(13)12(16)17)9-10(6)18-14-11(9)15/h4,6,8H,2-3,5,13H2,1H3,(H,14,15)(H,16,17)/t6?,8-/m0/s1
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5.08n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]SYM from rat recombinant GluR5(Q) RNA-edited isoform expressed in baculovirus infected Sf9 cells


J Med Chem 52: 4911-22 (2009)

Checked by Author
Article DOI: 10.1021/jm900565c
BindingDB Entry DOI: 10.7270/Q2R49RP9
More data for this
Ligand-Target Pair
Glutamate receptor 1 (GluA1)


(Rattus norvegicus (Rat))
BDBM50166285
PNG
((RS)-2-amino-3-[3-hydroxy-5-(2-propyl-2H-5-tetrazo...)
Show SMILES CCCn1nnc(n1)-c1o[nH]c(=O)c1CC(N)C(O)=O
Show InChI InChI=1S/C10H14N6O4/c1-2-3-16-13-8(12-15-16)7-5(9(17)14-20-7)4-6(11)10(18)19/h6H,2-4,11H2,1H3,(H,14,17)(H,18,19)
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5.20n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]AMPA from rat recombinant GluR1 expressed in Sf9 cells


J Med Chem 50: 2408-14 (2007)


Article DOI: 10.1021/jm061439q
BindingDB Entry DOI: 10.7270/Q2DZ0809
More data for this
Ligand-Target Pair
GRIA1


(Homo sapiens (Human))
BDBM50166288
PNG
((S)-2-Amino-3-[3-hydroxy-5-(2-methyl-2H-tetrazol-5...)
Show SMILES Cn1nnc(n1)-c1o[nH]c(=O)c1C[C@H](N)C(O)=O
Show InChI InChI=1S/C8H10N6O4/c1-14-11-6(10-13-14)5-3(7(15)12-18-5)2-4(9)8(16)17/h4H,2,9H2,1H3,(H,12,15)(H,16,17)/t4-/m0/s1
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5.22n/an/an/an/an/an/an/an/a



The Danish University of Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Binding affinity for ionotropic Glutamate receptor AMPA 1 expressed in Sf9 cells


J Med Chem 48: 3438-42 (2005)


Article DOI: 10.1021/jm050014l
BindingDB Entry DOI: 10.7270/Q2H70FBJ
More data for this
Ligand-Target Pair
Glutamate kainate


(RAT)
BDBM50166285
PNG
((RS)-2-amino-3-[3-hydroxy-5-(2-propyl-2H-5-tetrazo...)
Show SMILES CCCn1nnc(n1)-c1o[nH]c(=O)c1CC(N)C(O)=O
Show InChI InChI=1S/C10H14N6O4/c1-2-3-16-13-8(12-15-16)7-5(9(17)14-20-7)4-6(11)10(18)19/h6H,2-4,11H2,1H3,(H,14,17)(H,18,19)
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5.5n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]SYM 2081 from rat recombinant GluR5 expressed in Sf9 cells


J Med Chem 50: 2408-14 (2007)


Article DOI: 10.1021/jm061439q
BindingDB Entry DOI: 10.7270/Q2DZ0809
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, kainate


(Rattus norvegicus)
BDBM50031704
PNG
((2S,4R)-2-Amino-4-methyl-pentanedioic acid | (2S,4...)
Show SMILES C[C@H](C[C@H](N)C(O)=O)C(O)=O
Show InChI InChI=1S/C6H11NO4/c1-3(5(8)9)2-4(7)6(10)11/h3-4H,2,7H2,1H3,(H,8,9)(H,10,11)/t3-,4+/m1/s1
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5.69n/an/an/an/an/an/an/an/a



Universite Blaise Pascal

Curated by ChEMBL


Assay Description
Displacement of [3H]SYM2081 from rat recombinant iGluR7


J Med Chem 51: 4093-103 (2008)


Article DOI: 10.1021/jm800092x
BindingDB Entry DOI: 10.7270/Q20V8DP6
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM81779
PNG
(CAS_164252 | NNC-687 | NSC_164252)
Show SMILES CN1CCc2cc(c(O)cc2C(C1)c1cccc2CCOc12)[N+]([O-])=O
Show InChI InChI=1S/C19H20N2O4/c1-20-7-5-13-9-17(21(23)24)18(22)10-15(13)16(11-20)14-4-2-3-12-6-8-25-19(12)14/h2-4,9-10,16,22H,5-8,11H2,1H3
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5.80n/an/an/an/an/an/an/an/a



Novo Nordisk

Curated by PDSP Ki Database




Eur J Pharmacol 219: 45-52 (1992)


BindingDB Entry DOI: 10.7270/Q2H70D9P
More data for this
Ligand-Target Pair
Ionotropic glutamate receptor kainate 2/5


(Rattus norvegicus)
BDBM50252103
PNG
((2S,3S,4S)-2-CARBOXY-4-[(1Z,3E,5R)-5-CARBOXY-1-MET...)
Show SMILES C[C@H](\C=C\C=C(/C)[C@H]1CN[C@@H]([C@H]1CC(O)=O)C(O)=O)C(O)=O
Show InChI InChI=1S/C15H21NO6/c1-8(4-3-5-9(2)14(19)20)11-7-16-13(15(21)22)10(11)6-12(17)18/h3-5,9-11,13,16H,6-7H2,1-2H3,(H,17,18)(H,19,20)(H,21,22)/b5-3+,8-4+/t9-,10+,11-,13+/m1/s1
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6.04n/an/an/an/an/an/an/an/a



Universite Blaise Pascal

Curated by ChEMBL


Assay Description
Displacement of [3H]SYM2081 from rat recombinant iGluR6


J Med Chem 51: 4093-103 (2008)


Article DOI: 10.1021/jm800092x
BindingDB Entry DOI: 10.7270/Q20V8DP6
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
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