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Compile Data Set for Download or QSAR

Found 79 hits with Last Name = 'nielsen' and Initial = 'as'   
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
Acetylcholine Binding protein


(Lymnaea stagnalis)
BDBM50088453
PNG
(1-(6-Bromo-5-ethoxy-pyridin-3-yl)-[1,4]diazepane |...)
Show SMILES CCOc1cc(cnc1Br)N1CCCNCC1
Show InChI InChI=1S/C12H18BrN3O/c1-2-17-11-8-10(9-15-12(11)13)16-6-3-4-14-5-7-16/h8-9,14H,2-7H2,1H3
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0.0670n/an/an/an/an/an/an/an/a



University of Copenhagen



Assay Description
Binding affinities for alpha 4 beta 2 nAChR were determined in tissue suspension of rat cortical membranes using 1 nM [3H]cytisine. Binding affiniti...


J Biol Chem 287: 4248-59 (2012)


Article DOI: 10.1074/jbc.M111.292243
BindingDB Entry DOI: 10.7270/Q2J964Z5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Acetylcholine Binding protein


(Lymnaea stagnalis)
BDBM50143314
PNG
((+)-Epibatidine | (-)-epibatidine | (1R,2R,4S)-2-(...)
Show SMILES Clc1ccc(cn1)[C@H]1C[C@@H]2CC[C@H]1N2
Show InChI InChI=1S/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/t8-,9+,10+/m0/s1
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0.0970n/an/an/an/an/an/an/an/a



University of Copenhagen



Assay Description
Binding affinities for alpha 4 beta 2 nAChR were determined in tissue suspension of rat cortical membranes using 1 nM [3H]cytisine. Binding affiniti...


J Biol Chem 287: 4248-59 (2012)


Article DOI: 10.1074/jbc.M111.292243
BindingDB Entry DOI: 10.7270/Q2J964Z5
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50088453
PNG
(1-(6-Bromo-5-ethoxy-pyridin-3-yl)-[1,4]diazepane |...)
Show SMILES CCOc1cc(cnc1Br)N1CCCNCC1
Show InChI InChI=1S/C12H18BrN3O/c1-2-17-11-8-10(9-15-12(11)13)16-6-3-4-14-5-7-16/h8-9,14H,2-7H2,1H3
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0.25n/an/an/an/an/an/an/an/a



University of Copenhagen



Assay Description
Binding affinities for alpha 4 beta 2 nAChR were determined in tissue suspension of rat cortical membranes using 1 nM [3H]cytisine. Binding affiniti...


J Biol Chem 287: 4248-59 (2012)


Article DOI: 10.1074/jbc.M111.292243
BindingDB Entry DOI: 10.7270/Q2J964Z5
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50088454
PNG
(1-(6-Bromo-pyridin-3-yl)-[1,4]diazepane | 1-(6-bro...)
Show SMILES Brc1ccc(cn1)N1CCCNCC1
Show InChI InChI=1S/C10H14BrN3/c11-10-3-2-9(8-13-10)14-6-1-4-12-5-7-14/h2-3,8,12H,1,4-7H2
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0.320n/an/an/an/an/an/an/an/a



University of Copenhagen



Assay Description
Binding affinities for alpha 4 beta 2 nAChR were determined in tissue suspension of rat cortical membranes using 1 nM [3H]cytisine. Binding affiniti...


J Biol Chem 287: 4248-59 (2012)


Article DOI: 10.1074/jbc.M111.292243
BindingDB Entry DOI: 10.7270/Q2J964Z5
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50143314
PNG
((+)-Epibatidine | (-)-epibatidine | (1R,2R,4S)-2-(...)
Show SMILES Clc1ccc(cn1)[C@H]1C[C@@H]2CC[C@H]1N2
Show InChI InChI=1S/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/t8-,9+,10+/m0/s1
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0.330n/an/an/an/an/an/an/an/a



University of Copenhagen



Assay Description
Binding affinities for alpha 4 beta 2 nAChR were determined in tissue suspension of rat cortical membranes using 1 nM [3H]cytisine. Binding affiniti...


J Biol Chem 287: 4248-59 (2012)


Article DOI: 10.1074/jbc.M111.292243
BindingDB Entry DOI: 10.7270/Q2J964Z5
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM92377
PNG
(NS3573, 2)
Show SMILES CCOc1cncc(c1)N1CCCNCC1
Show InChI InChI=1S/C12H19N3O/c1-2-16-12-8-11(9-14-10-12)15-6-3-4-13-5-7-15/h8-10,13H,2-7H2,1H3
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0.620n/an/an/an/an/an/an/an/a



University of Copenhagen



Assay Description
Binding affinities for alpha 4 beta 2 nAChR were determined in tissue suspension of rat cortical membranes using 1 nM [3H]cytisine. Binding affiniti...


J Biol Chem 287: 4248-59 (2012)


Article DOI: 10.1074/jbc.M111.292243
BindingDB Entry DOI: 10.7270/Q2J964Z5
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50088438
PNG
(1-(pyridin-3-yl)-1,4-diazepane | 1-Pyridin-3-yl-[1...)
Show SMILES C1CNCCN(C1)c1cccnc1
Show InChI InChI=1S/C10H15N3/c1-3-10(9-12-4-1)13-7-2-5-11-6-8-13/h1,3-4,9,11H,2,5-8H2
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0.720n/an/an/an/an/an/an/an/a



University of Copenhagen



Assay Description
Binding affinities for alpha 4 beta 2 nAChR were determined in tissue suspension of rat cortical membranes using 1 nM [3H]cytisine. Binding affiniti...


J Biol Chem 287: 4248-59 (2012)


Article DOI: 10.1074/jbc.M111.292243
BindingDB Entry DOI: 10.7270/Q2J964Z5
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50088437
PNG
(1-(5-Phenyl-pyridin-3-yl)-[1,4]diazepane | CHEMBL3...)
Show SMILES C1CNCCN(C1)c1cncc(c1)-c1ccccc1
Show InChI InChI=1S/C16H19N3/c1-2-5-14(6-3-1)15-11-16(13-18-12-15)19-9-4-7-17-8-10-19/h1-3,5-6,11-13,17H,4,7-10H2
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0.800n/an/an/an/an/an/an/an/a



University of Copenhagen



Assay Description
Binding affinities for alpha 4 beta 2 nAChR were determined in tissue suspension of rat cortical membranes using 1 nM [3H]cytisine. Binding affiniti...


J Biol Chem 287: 4248-59 (2012)


Article DOI: 10.1074/jbc.M111.292243
BindingDB Entry DOI: 10.7270/Q2J964Z5
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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0.950n/an/an/an/an/an/an/an/a



University of Copenhagen



Assay Description
Binding affinities for alpha 4 beta 2 nAChR were determined in tissue suspension of rat cortical membranes using 1 nM [3H]cytisine. Binding affiniti...


J Biol Chem 287: 4248-59 (2012)


Article DOI: 10.1074/jbc.M111.292243
BindingDB Entry DOI: 10.7270/Q2J964Z5
More data for this
Ligand-Target Pair
Acetylcholine Binding protein


(Lymnaea stagnalis)
BDBM50088454
PNG
(1-(6-Bromo-pyridin-3-yl)-[1,4]diazepane | 1-(6-bro...)
Show SMILES Brc1ccc(cn1)N1CCCNCC1
Show InChI InChI=1S/C10H14BrN3/c11-10-3-2-9(8-13-10)14-6-1-4-12-5-7-14/h2-3,8,12H,1,4-7H2
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1.30n/an/an/an/an/an/an/an/a



University of Copenhagen



Assay Description
Binding affinities for alpha 4 beta 2 nAChR were determined in tissue suspension of rat cortical membranes using 1 nM [3H]cytisine. Binding affiniti...


J Biol Chem 287: 4248-59 (2012)


Article DOI: 10.1074/jbc.M111.292243
BindingDB Entry DOI: 10.7270/Q2J964Z5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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
Acetylcholine Binding protein


(Lymnaea stagnalis)
BDBM92377
PNG
(NS3573, 2)
Show SMILES CCOc1cncc(c1)N1CCCNCC1
Show InChI InChI=1S/C12H19N3O/c1-2-16-12-8-11(9-14-10-12)15-6-3-4-13-5-7-15/h8-10,13H,2-7H2,1H3
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2.20n/an/an/an/an/an/an/an/a



University of Copenhagen



Assay Description
Binding affinities for alpha 4 beta 2 nAChR were determined in tissue suspension of rat cortical membranes using 1 nM [3H]cytisine. Binding affiniti...


J Biol Chem 287: 4248-59 (2012)


Article DOI: 10.1074/jbc.M111.292243
BindingDB Entry DOI: 10.7270/Q2J964Z5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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
Acetylcholine Binding protein


(Lymnaea stagnalis)
BDBM50088438
PNG
(1-(pyridin-3-yl)-1,4-diazepane | 1-Pyridin-3-yl-[1...)
Show SMILES C1CNCCN(C1)c1cccnc1
Show InChI InChI=1S/C10H15N3/c1-3-10(9-12-4-1)13-7-2-5-11-6-8-13/h1,3-4,9,11H,2,5-8H2
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3.10n/an/an/an/an/an/an/an/a



University of Copenhagen



Assay Description
Binding affinities for alpha 4 beta 2 nAChR were determined in tissue suspension of rat cortical membranes using 1 nM [3H]cytisine. Binding affiniti...


J Biol Chem 287: 4248-59 (2012)


Article DOI: 10.1074/jbc.M111.292243
BindingDB Entry DOI: 10.7270/Q2J964Z5
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=1/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-/s2
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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
Neuronal acetylcholine receptor


(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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6n/an/an/an/an/an/an/an/a



University of Copenhagen



Assay Description
Binding affinities for alpha 4 beta 2 nAChR were determined in tissue suspension of rat cortical membranes using 1 nM [3H]cytisine. Binding affiniti...


J Biol Chem 287: 4248-59 (2012)


Article DOI: 10.1074/jbc.M111.292243
BindingDB Entry DOI: 10.7270/Q2J964Z5
More data for this
Ligand-Target Pair
Acetylcholine Binding protein


(Lymnaea stagnalis)
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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8.20n/an/an/an/an/an/an/an/a



University of Copenhagen



Assay Description
Binding affinities for alpha 4 beta 2 nAChR were determined in tissue suspension of rat cortical membranes using 1 nM [3H]cytisine. Binding affiniti...


J Biol Chem 287: 4248-59 (2012)


Article DOI: 10.1074/jbc.M111.292243
BindingDB Entry DOI: 10.7270/Q2J964Z5
More data for this
Ligand-Target Pair
Acetylcholine Binding protein


(Lymnaea stagnalis)
BDBM50088437
PNG
(1-(5-Phenyl-pyridin-3-yl)-[1,4]diazepane | CHEMBL3...)
Show SMILES C1CNCCN(C1)c1cncc(c1)-c1ccccc1
Show InChI InChI=1S/C16H19N3/c1-2-5-14(6-3-1)15-11-16(13-18-12-15)19-9-4-7-17-8-10-19/h1-3,5-6,11-13,17H,4,7-10H2
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8.90n/an/an/an/an/an/an/an/a



University of Copenhagen



Assay Description
Binding affinities for alpha 4 beta 2 nAChR were determined in tissue suspension of rat cortical membranes using 1 nM [3H]cytisine. Binding affiniti...


J Biol Chem 287: 4248-59 (2012)


Article DOI: 10.1074/jbc.M111.292243
BindingDB Entry DOI: 10.7270/Q2J964Z5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50143314
PNG
((+)-Epibatidine | (-)-epibatidine | (1R,2R,4S)-2-(...)
Show SMILES Clc1ccc(cn1)[C@H]1C[C@@H]2CC[C@H]1N2
Show InChI InChI=1S/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/t8-,9+,10+/m0/s1
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18n/an/an/an/an/an/an/an/a



University of Copenhagen



Assay Description
Binding affinities for alpha 4 beta 2 nAChR were determined in tissue suspension of rat cortical membranes using 1 nM [3H]cytisine. Binding affiniti...


J Biol Chem 287: 4248-59 (2012)


Article DOI: 10.1074/jbc.M111.292243
BindingDB Entry DOI: 10.7270/Q2J964Z5
More data for this
Ligand-Target Pair
Acetylcholine Binding protein


(Lymnaea stagnalis)
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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83n/an/an/an/an/an/an/an/a



University of Copenhagen



Assay Description
Binding affinities for alpha 4 beta 2 nAChR were determined in tissue suspension of rat cortical membranes using 1 nM [3H]cytisine. Binding affiniti...


J Biol Chem 287: 4248-59 (2012)


Article DOI: 10.1074/jbc.M111.292243
BindingDB Entry DOI: 10.7270/Q2J964Z5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50088438
PNG
(1-(pyridin-3-yl)-1,4-diazepane | 1-Pyridin-3-yl-[1...)
Show SMILES C1CNCCN(C1)c1cccnc1
Show InChI InChI=1S/C10H15N3/c1-3-10(9-12-4-1)13-7-2-5-11-6-8-13/h1,3-4,9,11H,2,5-8H2
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136n/an/an/an/an/an/an/an/a



University of Copenhagen



Assay Description
Binding affinities for alpha 4 beta 2 nAChR were determined in tissue suspension of rat cortical membranes using 1 nM [3H]cytisine. Binding affiniti...


J Biol Chem 287: 4248-59 (2012)


Article DOI: 10.1074/jbc.M111.292243
BindingDB Entry DOI: 10.7270/Q2J964Z5
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(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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170n/an/an/an/an/an/an/an/a



University of Copenhagen



Assay Description
Binding affinities for alpha 4 beta 2 nAChR were determined in tissue suspension of rat cortical membranes using 1 nM [3H]cytisine. Binding affiniti...


J Biol Chem 287: 4248-59 (2012)


Article DOI: 10.1074/jbc.M111.292243
BindingDB Entry DOI: 10.7270/Q2J964Z5
More data for this
Ligand-Target Pair
GRIA3


(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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173n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]AMPA from rat recombinant GluR3 flop 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 2


(Rattus norvegicus)
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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175n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]AMPA from rat recombinant GluR2(R) RNA-edited flop 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))
BDBM50088454
PNG
(1-(6-Bromo-pyridin-3-yl)-[1,4]diazepane | 1-(6-bro...)
Show SMILES Brc1ccc(cn1)N1CCCNCC1
Show InChI InChI=1S/C10H14BrN3/c11-10-3-2-9(8-13-10)14-6-1-4-12-5-7-14/h2-3,8,12H,1,4-7H2
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190n/an/an/an/an/an/an/an/a



University of Copenhagen



Assay Description
Binding affinities for alpha 4 beta 2 nAChR were determined in tissue suspension of rat cortical membranes using 1 nM [3H]cytisine. Binding affiniti...


J Biol Chem 287: 4248-59 (2012)


Article DOI: 10.1074/jbc.M111.292243
BindingDB Entry DOI: 10.7270/Q2J964Z5
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, kainate


(Rattus norvegicus)
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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199n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]SYM from rat recombinant GluR7A 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 4


(Rattus norvegicus)
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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202n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]AMPA from rat recombinant GluR4 flop 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))
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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232n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]AMPA from rat recombinant GluR1 flop 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))
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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295n/an/an/an/an/an/an/an/a



University of Copenhagen



Assay Description
Binding affinities for alpha 4 beta 2 nAChR were determined in tissue suspension of rat cortical membranes using 1 nM [3H]cytisine. Binding affiniti...


J Biol Chem 287: 4248-59 (2012)


Article DOI: 10.1074/jbc.M111.292243
BindingDB Entry DOI: 10.7270/Q2J964Z5
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50088453
PNG
(1-(6-Bromo-5-ethoxy-pyridin-3-yl)-[1,4]diazepane |...)
Show SMILES CCOc1cc(cnc1Br)N1CCCNCC1
Show InChI InChI=1S/C12H18BrN3O/c1-2-17-11-8-10(9-15-12(11)13)16-6-3-4-14-5-7-16/h8-9,14H,2-7H2,1H3
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847n/an/an/an/an/an/an/an/a



University of Copenhagen



Assay Description
Binding affinities for alpha 4 beta 2 nAChR were determined in tissue suspension of rat cortical membranes using 1 nM [3H]cytisine. Binding affiniti...


J Biol Chem 287: 4248-59 (2012)


Article DOI: 10.1074/jbc.M111.292243
BindingDB Entry DOI: 10.7270/Q2J964Z5
More data for this
Ligand-Target Pair
GRIA3


(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=1/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-/s2
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1.11E+3n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]AMPA from rat recombinant GluR3 flop 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, kainate


(Rattus norvegicus)
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=1/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-/s2
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1.38E+3n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]SYM from rat recombinant GluR7A 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))
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=1/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-/s2
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1.55E+3n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]AMPA from rat recombinant GluR1 flop 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 2


(Rattus norvegicus)
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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1.66E+3n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]AMPA from rat recombinant GluR2(R) RNA-edited flop 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
GRIA3


(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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2.04E+3n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]AMPA from rat recombinant GluR3 flop 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 4


(Rattus norvegicus)
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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2.14E+3n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]AMPA from rat recombinant GluR4 flop 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 4


(Rattus norvegicus)
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=1/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-/s2
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2.20E+3n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]AMPA from rat recombinant GluR4 flop 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, kainate


(Rattus norvegicus)
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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2.53E+3n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]SYM from rat recombinant GluR7A 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))
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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2.78E+3n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]AMPA from rat recombinant GluR1 flop 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 2


(Rattus norvegicus)
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=1/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-/s2
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6.31E+3n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]AMPA from rat recombinant GluR2(R) RNA-edited flop 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))
BDBM92377
PNG
(NS3573, 2)
Show SMILES CCOc1cncc(c1)N1CCCNCC1
Show InChI InChI=1S/C12H19N3O/c1-2-16-12-8-11(9-14-10-12)15-6-3-4-13-5-7-15/h8-10,13H,2-7H2,1H3
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9.97E+3n/an/an/an/an/an/an/an/a



University of Copenhagen



Assay Description
Binding affinities for alpha 4 beta 2 nAChR were determined in tissue suspension of rat cortical membranes using 1 nM [3H]cytisine. Binding affiniti...


J Biol Chem 287: 4248-59 (2012)


Article DOI: 10.1074/jbc.M111.292243
BindingDB Entry DOI: 10.7270/Q2J964Z5
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50088437
PNG
(1-(5-Phenyl-pyridin-3-yl)-[1,4]diazepane | CHEMBL3...)
Show SMILES C1CNCCN(C1)c1cncc(c1)-c1ccccc1
Show InChI InChI=1S/C16H19N3/c1-2-5-14(6-3-1)15-11-16(13-18-12-15)19-9-4-7-17-8-10-19/h1-3,5-6,11-13,17H,4,7-10H2
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Copenhagen



Assay Description
Binding affinities for alpha 4 beta 2 nAChR were determined in tissue suspension of rat cortical membranes using 1 nM [3H]cytisine. Binding affiniti...


J Biol Chem 287: 4248-59 (2012)


Article DOI: 10.1074/jbc.M111.292243
BindingDB Entry DOI: 10.7270/Q2J964Z5
More data for this
Ligand-Target Pair
Ionotropic glutamate receptor kainate 2/5


(Rattus norvegicus)
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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PubMed
>1.00E+5n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]KA from rat recombinant GluR6(VCR) 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
Ionotropic glutamate receptor kainate 2/5


(Rattus norvegicus)
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=1/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-/s2
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PubMed
>1.00E+5n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]KA from rat recombinant GluR6(VCR) 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
Ionotropic glutamate receptor kainate 2/5


(Rattus norvegicus)
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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PubMed
>1.00E+6n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]KA from rat recombinant GluR6(VCR) 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))
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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PubMed
n/an/an/an/a 6.20E+4n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at ConA-treated rat GluR1 flip isoform expressed in Xenopus laevis oocytes assessed as glutamic acid-induced maximal current by two-...


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 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=1/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-/s2
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PubMed
n/an/an/an/a 660n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at ConA-treated rat GluR5(Q) RNA-edited isoform expressed in Xenopus laevis oocytes assessed as glutamic acid-induced maximal curren...


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 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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Article
PubMed
n/an/an/an/a 130n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at ConA-treated rat GluR5(Q) RNA-edited isoform expressed in Xenopus laevis oocytes assessed as glutamic acid-induced maximal curren...


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))
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=1/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-/s2
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Article
PubMed
n/an/an/an/a 6.20E+4n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at ConA-treated rat GluR1 flip isoform expressed in Xenopus laevis oocytes assessed as glutamic acid-induced maximal current by two-...


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))
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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Article
PubMed
n/an/an/an/a 4.50E+3n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at ConA-treated rat GluR1 flip isoform expressed in Xenopus laevis oocytes assessed as glutamic acid-induced maximal current by two-...


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
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