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Compile Data Set for Download or QSAR

Found 1572 hits with Last Name = 'krogsgaard-larsen' and Initial = 'p'   
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=1/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=1/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=1/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
Neuronal acetylcholine receptor subunit alpha-2


(Rattus norvegicus (Rat))
BDBM50049757
PNG
(()-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]h...)
Show SMILES Clc1ccc(cn1)C1CC2CCC1N2
Show InChI InChI=1/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2
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0.0230n/an/an/an/an/an/an/an/a



The Danish University of Pharmaceutical Sciences

Curated by PDSP Ki Database




Mol Pharmacol 64: 865-75 (2003)


Article DOI: 10.1124/mol.64.4.865
BindingDB Entry DOI: 10.7270/Q2RX99PV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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=1/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=1/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=1/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
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50049757
PNG
(()-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]h...)
Show SMILES Clc1ccc(cn1)C1CC2CCC1N2
Show InChI InChI=1/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2
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0.0460n/an/an/an/an/an/an/an/a



The Danish University of Pharmaceutical Sciences

Curated by PDSP Ki Database




Mol Pharmacol 64: 865-75 (2003)


Article DOI: 10.1124/mol.64.4.865
BindingDB Entry DOI: 10.7270/Q2RX99PV
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50049757
PNG
(()-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]h...)
Show SMILES Clc1ccc(cn1)C1CC2CCC1N2
Show InChI InChI=1/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2
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0.0720n/an/an/an/an/an/an/an/a



The Danish University of Pharmaceutical Sciences

Curated by PDSP Ki Database




Mol Pharmacol 64: 865-75 (2003)


Article DOI: 10.1124/mol.64.4.865
BindingDB Entry DOI: 10.7270/Q2RX99PV
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=1/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
Neuronal acetylcholine receptor subunit alpha-2


(Rattus norvegicus (Rat))
BDBM50049757
PNG
(()-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]h...)
Show SMILES Clc1ccc(cn1)C1CC2CCC1N2
Show InChI InChI=1/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2
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0.0910n/an/an/an/an/an/an/an/a



The Danish University of Pharmaceutical Sciences

Curated by PDSP Ki Database




Mol Pharmacol 64: 865-75 (2003)


Article DOI: 10.1124/mol.64.4.865
BindingDB Entry DOI: 10.7270/Q2RX99PV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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=1/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
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=1/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=1/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
Neuronal acetylcholine receptor subunit alpha-3


(Rattus norvegicus (Rat))
BDBM50049757
PNG
(()-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]h...)
Show SMILES Clc1ccc(cn1)C1CC2CCC1N2
Show InChI InChI=1/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2
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0.460n/an/an/an/an/an/an/an/a



The Danish University of Pharmaceutical Sciences

Curated by PDSP Ki Database




Mol Pharmacol 64: 865-75 (2003)


Article DOI: 10.1124/mol.64.4.865
BindingDB Entry DOI: 10.7270/Q2RX99PV
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-2


(Rattus norvegicus (Rat))
BDBM86311
PNG
(CAS_485-35-8 | Cytisine | Cytisine-(-) | NSC_22407)
Show SMILES O=c1cccc2C3CNCC(C3)Cn12
Show InChI InChI=1/C11H14N2O/c14-11-3-1-2-10-9-4-8(5-12-6-9)7-13(10)11/h1-3,8-9,12H,4-7H2
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0.540n/an/an/an/an/an/an/an/a



The Danish University of Pharmaceutical Sciences

Curated by PDSP Ki Database




Mol Pharmacol 64: 865-75 (2003)


Article DOI: 10.1124/mol.64.4.865
BindingDB Entry DOI: 10.7270/Q2RX99PV
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=1/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=1/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
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50428890
PNG
(ASENAPINE | Saphris)
Show SMILES CN1C[C@@H]2[C@@H](C1)c1cc(Cl)ccc1Oc1ccccc21
Show InChI InChI=1S/C17H16ClNO/c1-19-9-14-12-4-2-3-5-16(12)20-17-7-6-11(18)8-13(17)15(14)10-19/h2-8,14-15H,9-10H2,1H3/t14-,15-/m0/s1
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0.910n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at human 5HT2A receptor expressed in HEK293 cells assessed as inhibition of 5HT-induced intracellular calcium release measured fo...


J Med Chem 56: 1211-27 (2013)


Article DOI: 10.1021/jm301656h
BindingDB Entry DOI: 10.7270/Q2ZP47GW
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=1/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 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=1/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
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
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM86311
PNG
(CAS_485-35-8 | Cytisine | Cytisine-(-) | NSC_22407)
Show SMILES O=c1cccc2C3CNCC(C3)Cn12
Show InChI InChI=1/C11H14N2O/c14-11-3-1-2-10-9-4-8(5-12-6-9)7-13(10)11/h1-3,8-9,12H,4-7H2
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1.30n/an/an/an/an/an/an/an/a



The Danish University of Pharmaceutical Sciences

Curated by PDSP Ki Database




Mol Pharmacol 64: 865-75 (2003)


Article DOI: 10.1124/mol.64.4.865
BindingDB Entry DOI: 10.7270/Q2RX99PV
More data for this
Ligand-Target Pair
GABA A receptor alpha-6/beta-2/gamma-2


(Homo sapiens (Human))
BDBM23183
PNG
(5-(aminomethyl)-1,2-oxazol-3-ol | Agarin | CHEMBL2...)
Show SMILES NCc1cc(=O)[nH]o1
Show InChI InChI=1S/C4H6N2O2/c5-2-3-1-4(7)6-8-3/h1H,2,5H2,(H,6,7)
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1.30n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by PDSP Ki Database




Mol Pharmacol 52: 1150-6 (1997)


Article DOI: 10.1038/nchembio.1865
BindingDB Entry DOI: 10.7270/Q29C6VZC
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-2


(Rattus norvegicus (Rat))
BDBM50047021
PNG
(2-(6-(2-hydroxy-2-phenylethyl)-1-methylpiperidin-2...)
Show SMILES CN1C(CC(O)c2ccccc2)CCCC1CC(=O)c1ccccc1
Show InChI InChI=1/C22H27NO2/c1-23-19(15-21(24)17-9-4-2-5-10-17)13-8-14-20(23)16-22(25)18-11-6-3-7-12-18/h2-7,9-12,19-21,24H,8,13-16H2,1H3
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1.60n/an/an/an/an/an/an/an/a



The Danish University of Pharmaceutical Sciences

Curated by PDSP Ki Database




Mol Pharmacol 64: 865-75 (2003)


Article DOI: 10.1124/mol.64.4.865
BindingDB Entry DOI: 10.7270/Q2RX99PV
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=1/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
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM31005
PNG
(2-methyl-1,2,3,4,10,14b-hexahydrodibenzo[c,f]pyraz...)
Show SMILES Cl.CN1CCN2C(C1)c1ccccc1Cc1ccccc21
Show InChI InChI=1S/C18H20N2.ClH/c1-19-10-11-20-17-9-5-3-7-15(17)12-14-6-2-4-8-16(14)18(20)13-19;/h2-9,18H,10-13H2,1H3;1H
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1.70n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from human 5HT2C receptor expressed in tsA201 cell membranes after 1 hr by scintillation counting analysis


J Med Chem 56: 1211-27 (2013)


Article DOI: 10.1021/jm301656h
BindingDB Entry DOI: 10.7270/Q2ZP47GW
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM86309
PNG
(CAS_21019-30-7 | Methyllycaconitine | NSC_5311278)
Show SMILES CCN1CC2(COC(=O)c3ccccc3-n3c(O)cc(C)c3O)CCC(OC)C34C5CC6C(OC)C5C(O)(CC6OC)C(O)(C(OC)C23)C14
Show InChI InChI=1/C37H50N2O10/c1-7-38-17-34(18-49-32(42)20-10-8-9-11-23(20)39-26(40)14-19(2)31(39)41)13-12-25(46-4)36-22-15-21-24(45-3)16-35(43,27(22)28(21)47-5)37(44,33(36)38)30(48-6)29(34)36/h8-11,14,21-22,24-25,27-30,33,40-41,43-44H,7,12-13,15-18H2,1-6H3
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1.90n/an/an/an/an/an/an/an/a



The Danish University of Pharmaceutical Sciences

Curated by PDSP Ki Database




Mol Pharmacol 64: 865-75 (2003)


Article DOI: 10.1124/mol.64.4.865
BindingDB Entry DOI: 10.7270/Q2RX99PV
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
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50047021
PNG
(2-(6-(2-hydroxy-2-phenylethyl)-1-methylpiperidin-2...)
Show SMILES CN1C(CC(O)c2ccccc2)CCCC1CC(=O)c1ccccc1
Show InChI InChI=1/C22H27NO2/c1-23-19(15-21(24)17-9-4-2-5-10-17)13-8-14-20(23)16-22(25)18-11-6-3-7-12-18/h2-7,9-12,19-21,24H,8,13-16H2,1H3
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2.20n/an/an/an/an/an/an/an/a



The Danish University of Pharmaceutical Sciences

Curated by PDSP Ki Database




Mol Pharmacol 64: 865-75 (2003)


Article DOI: 10.1124/mol.64.4.865
BindingDB Entry DOI: 10.7270/Q2RX99PV
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=1/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
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50428890
PNG
(ASENAPINE | Saphris)
Show SMILES CN1C[C@@H]2[C@@H](C1)c1cc(Cl)ccc1Oc1ccccc21
Show InChI InChI=1S/C17H16ClNO/c1-19-9-14-12-4-2-3-5-16(12)20-17-7-6-11(18)8-13(17)15(14)10-19/h2-8,14-15H,9-10H2,1H3/t14-,15-/m0/s1
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2.5n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at human 5HT2C receptor expressed in HEK293 cells assessed as inhibition of 5HT-induced intracellular calcium release measured fo...


J Med Chem 56: 1211-27 (2013)


Article DOI: 10.1021/jm301656h
BindingDB Entry DOI: 10.7270/Q2ZP47GW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50004327
PNG
((1-Phenethyl-piperidin-4-yl)-phenyl-methanol | CHE...)
Show SMILES OC(C1CCN(CCc2ccccc2)CC1)c1ccccc1
Show InChI InChI=1/C20H25NO/c22-20(18-9-5-2-6-10-18)19-12-15-21(16-13-19)14-11-17-7-3-1-4-8-17/h1-10,19-20,22H,11-16H2
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2.5n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at human 5HT2A receptor expressed in HEK293 cells assessed as inhibition of 5HT-induced intracellular calcium release measured fo...


J Med Chem 56: 1211-27 (2013)


Article DOI: 10.1021/jm301656h
BindingDB Entry DOI: 10.7270/Q2ZP47GW
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)
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50089890
PNG
(4-Amino-2-oxa-bicyclo[3.1.0]hexane-4,6-dicarboxyli...)
Show SMILES N[C@]1(COC2[C@@H](C12)C(O)=O)C(O)=O
Show InChI InChI=1S/C7H9NO5/c8-7(6(11)12)1-13-4-2(3(4)7)5(9)10/h2-4H,1,8H2,(H,9,10)(H,11,12)/t2-,3?,4?,7+/m1/s1
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2.70n/an/an/an/an/an/an/an/a



The Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
Agonist potency against cloned Metabotropic glutamate receptor 2 (mGluR-2).


J Med Chem 43: 2609-45 (2000)


Article DOI: 10.1021/jm000007r
BindingDB Entry DOI: 10.7270/Q2DZ090Q
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5 (GABA(A))


(Homo sapiens (Human))
BDBM23183
PNG
(5-(aminomethyl)-1,2-oxazol-3-ol | Agarin | CHEMBL2...)
Show SMILES NCc1cc(=O)[nH]o1
Show InChI InChI=1S/C4H6N2O2/c5-2-3-1-4(7)6-8-3/h1H,2,5H2,(H,6,7)
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2.88n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by PDSP Ki Database




Mol Pharmacol 52: 1150-6 (1997)


Article DOI: 10.1038/nchembio.1865
BindingDB Entry DOI: 10.7270/Q29C6VZC
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=1/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=1/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
GRIA1


(Homo sapiens (Human))
BDBM50122077
PNG
(CHEMBL153017 | N-[1-[5-(6-Amino-hexylamino)-pentyl...)
Show SMILES CCCC(=O)NC(Cc1ccc(O)cc1)C(=O)NCCCCCNCCCCCCN
Show InChI InChI=1/C24H42N4O3/c1-2-10-23(30)28-22(19-20-11-13-21(29)14-12-20)24(31)27-18-9-5-8-17-26-16-7-4-3-6-15-25/h11-14,22,26,29H,2-10,15-19,25H2,1H3,(H,27,31)(H,28,30)
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3.30n/an/an/an/an/an/an/an/a



The Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of the (-80 mV) current elicited by 100 microM glutamate by simultaneous co-application in xenopus oocytes injected with GluR1 flop RNA.


J Med Chem 45: 5745-54 (2002)


Article DOI: 10.1021/jm020314s
BindingDB Entry DOI: 10.7270/Q2BP025P
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-2


(Rattus norvegicus (Rat))
BDBM50004108
PNG
((+-)-nicotine | (R,S)-nicotine | (RS)-nicotine | 3...)
Show SMILES CN1CCCC1c1cccnc1
Show InChI InChI=1/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3
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3.60n/an/an/an/an/an/an/an/a



The Danish University of Pharmaceutical Sciences

Curated by PDSP Ki Database




Mol Pharmacol 64: 865-75 (2003)


Article DOI: 10.1124/mol.64.4.865
BindingDB Entry DOI: 10.7270/Q2RX99PV
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=1/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
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
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