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Compile Data Set for Download or QSAR

Found 77 hits with Last Name = 'krintel' and Initial = 'c'   
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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PubMed
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 |THB:4:7:13:11.10|
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 subunit alpha-4


(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 subunit alpha-4


(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 subunit alpha-4


(Rattus norvegicus (Rat))
BDBM50143314
PNG
((+)-Epibatidine | (-)-epibatidine | (1R,2R,4S)-2-(...)
Show SMILES Clc1ccc(cn1)[C@H]1C[C@@H]2CC[C@H]1N2 |THB:4:7:13:11.10|
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 subunit alpha-4


(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 subunit alpha-4


(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 subunit alpha-4


(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 subunit alpha-4


(Rattus norvegicus (Rat))
BDBM86311
PNG
(CAS_485-35-8 | Cytisine | Cytisine-(-) | NSC_22407...)
Show SMILES O=c1cccc2C3CNCC(C3)Cn12 |THB:4:5:11:9.8.7|
Show InChI InChI=1S/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)
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)
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)
Neuronal acetylcholine receptor subunit alpha-4


(Rattus norvegicus (Rat))
BDBM50004108
PNG
((+-)-nicotine | (R,S)-nicotine | (RS)-nicotine | 3...)
Show SMILES CN1CCCC1c1cccnc1
Show InChI InChI=1S/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
3D
3D Structure (crystal)
Acetylcholine-binding protein


(Lymnaea stagnalis)
BDBM86311
PNG
(CAS_485-35-8 | Cytisine | Cytisine-(-) | NSC_22407...)
Show SMILES O=c1cccc2C3CNCC(C3)Cn12 |THB:4:5:11:9.8.7|
Show InChI InChI=1S/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 subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50143314
PNG
((+)-Epibatidine | (-)-epibatidine | (1R,2R,4S)-2-(...)
Show SMILES Clc1ccc(cn1)[C@H]1C[C@@H]2CC[C@H]1N2 |THB:4:7:13:11.10|
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
3D
3D Structure (crystal)
Acetylcholine-binding protein


(Lymnaea stagnalis)
BDBM50004108
PNG
((+-)-nicotine | (R,S)-nicotine | (RS)-nicotine | 3...)
Show SMILES CN1CCCC1c1cccnc1
Show InChI InChI=1S/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 subunit alpha-7


(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 subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50004108
PNG
((+-)-nicotine | (R,S)-nicotine | (RS)-nicotine | 3...)
Show SMILES CN1CCCC1c1cccnc1
Show InChI InChI=1S/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
3D
3D Structure (crystal)
Neuronal acetylcholine receptor subunit alpha-7


(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
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM86311
PNG
(CAS_485-35-8 | Cytisine | Cytisine-(-) | NSC_22407...)
Show SMILES O=c1cccc2C3CNCC(C3)Cn12 |THB:4:5:11:9.8.7|
Show InChI InChI=1S/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 subunit alpha-7


(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
Glutamate receptor 2


(Rattus norvegicus)
BDBM50142614
PNG
(CHEMBL3758336)
Show SMILES N[C@@H](Cc1cc(Cl)c(Cl)c(c1)-c1cncc(O)c1)C(O)=O |r|
Show InChI InChI=1S/C14H12Cl2N2O3/c15-11-2-7(3-12(17)14(20)21)1-10(13(11)16)8-4-9(19)6-18-5-8/h1-2,4-6,12,19H,3,17H2,(H,20,21)/t12-/m0/s1
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1.74E+3n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]AMPA from full length rat cloned GluA2(R)o receptor expressed in sf9 cells incubated for 1 to 2 hrs by liquid scintillation count...


J Med Chem 59: 448-61 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01666
BindingDB Entry DOI: 10.7270/Q2VQ34JK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glutamate receptor 2


(Homo sapiens (Human))
BDBM50142614
PNG
(CHEMBL3758336)
Show SMILES N[C@@H](Cc1cc(Cl)c(Cl)c(c1)-c1cncc(O)c1)C(O)=O |r|
Show InChI InChI=1S/C14H12Cl2N2O3/c15-11-2-7(3-12(17)14(20)21)1-10(13(11)16)8-4-9(19)6-18-5-8/h1-2,4-6,12,19H,3,17H2,(H,20,21)/t12-/m0/s1
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2.26E+3n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]AMPA from GluA2 LBD (unknown origin) incubated for 2 hrs by liquid scintillation counting method


J Med Chem 59: 448-61 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01666
BindingDB Entry DOI: 10.7270/Q2VQ34JK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glutamate receptor 2


(Rattus norvegicus)
BDBM50304101
PNG
((RS)-2-Amino-3-(5,6-dichloro-3'-hydroxybiphenyl-3-...)
Show SMILES NC(Cc1cc(Cl)c(Cl)c(c1)-c1cccc(O)c1)C(O)=O
Show InChI InChI=1S/C15H13Cl2NO3/c16-12-5-8(6-13(18)15(20)21)4-11(14(12)17)9-2-1-3-10(19)7-9/h1-5,7,13,19H,6,18H2,(H,20,21)
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5.03E+3n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]AMPA from full length rat cloned GluA2(R)o receptor expressed in sf9 cells incubated for 1 to 2 hrs by liquid scintillation count...


J Med Chem 59: 448-61 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01666
BindingDB Entry DOI: 10.7270/Q2VQ34JK
More data for this
Ligand-Target Pair
Glutamate receptor 1


(Rattus norvegicus (Rat))
BDBM50142614
PNG
(CHEMBL3758336)
Show SMILES N[C@@H](Cc1cc(Cl)c(Cl)c(c1)-c1cncc(O)c1)C(O)=O |r|
Show InChI InChI=1S/C14H12Cl2N2O3/c15-11-2-7(3-12(17)14(20)21)1-10(13(11)16)8-4-9(19)6-18-5-8/h1-2,4-6,12,19H,3,17H2,(H,20,21)/t12-/m0/s1
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6.65E+3n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]AMPA from rat cloned GluA1o receptor expressed in sf9 cells incubated for 1 to 2 hrs by liquid scintillation counting method


J Med Chem 59: 448-61 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01666
BindingDB Entry DOI: 10.7270/Q2VQ34JK
More data for this
Ligand-Target Pair
Glutamate receptor 3


(RAT)
BDBM50142614
PNG
(CHEMBL3758336)
Show SMILES N[C@@H](Cc1cc(Cl)c(Cl)c(c1)-c1cncc(O)c1)C(O)=O |r|
Show InChI InChI=1S/C14H12Cl2N2O3/c15-11-2-7(3-12(17)14(20)21)1-10(13(11)16)8-4-9(19)6-18-5-8/h1-2,4-6,12,19H,3,17H2,(H,20,21)/t12-/m0/s1
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6.88E+3n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]AMPA from rat cloned GluA3o receptor expressed in sf9 cells incubated for 1 to 2 hrs by liquid scintillation counting method


J Med Chem 59: 448-61 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01666
BindingDB Entry DOI: 10.7270/Q2VQ34JK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Neuronal acetylcholine receptor subunit alpha-7


(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 subunit alpha-7


(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
Glutamate receptor 1


(Rattus norvegicus (Rat))
BDBM50304101
PNG
((RS)-2-Amino-3-(5,6-dichloro-3'-hydroxybiphenyl-3-...)
Show SMILES NC(Cc1cc(Cl)c(Cl)c(c1)-c1cccc(O)c1)C(O)=O
Show InChI InChI=1S/C15H13Cl2NO3/c16-12-5-8(6-13(18)15(20)21)4-11(14(12)17)9-2-1-3-10(19)7-9/h1-5,7,13,19H,6,18H2,(H,20,21)
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1.71E+4n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]AMPA from rat cloned GluA1o receptor expressed in sf9 cells incubated for 1 to 2 hrs by liquid scintillation counting method


J Med Chem 59: 448-61 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01666
BindingDB Entry DOI: 10.7270/Q2VQ34JK
More data for this
Ligand-Target Pair
Glutamate receptor 2


(Rattus norvegicus)
BDBM50142618
PNG
(CHEMBL3759959)
Show SMILES N[C@H](Cc1cccc(c1)-c1cccc(O)c1)C(O)=O |r|
Show InChI InChI=1S/C15H15NO3/c16-14(15(18)19)8-10-3-1-4-11(7-10)12-5-2-6-13(17)9-12/h1-7,9,14,17H,8,16H2,(H,18,19)/t14-/m1/s1
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2.40E+4n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]AMPA from full length rat cloned GluA2(R)o receptor expressed in sf9 cells incubated for 1 to 2 hrs by liquid scintillation count...


J Med Chem 59: 448-61 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01666
BindingDB Entry DOI: 10.7270/Q2VQ34JK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glutamate receptor ionotropic, kainate 3


(Rattus norvegicus)
BDBM50142618
PNG
(CHEMBL3759959)
Show SMILES N[C@H](Cc1cccc(c1)-c1cccc(O)c1)C(O)=O |r|
Show InChI InChI=1S/C15H15NO3/c16-14(15(18)19)8-10-3-1-4-11(7-10)12-5-2-6-13(17)9-12/h1-7,9,14,17H,8,16H2,(H,18,19)/t14-/m1/s1
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3.96E+4n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]SYM2081 from cloned rat GluK3A receptor expressed in sf9 cells incubated for 1 to 2 hrs by liquid scintillation counting method


J Med Chem 59: 448-61 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01666
BindingDB Entry DOI: 10.7270/Q2VQ34JK
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, kainate 1


(RAT)
BDBM50142603
PNG
(CHEMBL3759469)
Show SMILES NC(Cc1cc(Cl)c(Cl)c(c1)-c1ccc(O)c(O)c1)C(O)=O
Show InChI InChI=1S/C15H13Cl2NO4/c16-10-4-7(5-11(18)15(21)22)3-9(14(10)17)8-1-2-12(19)13(20)6-8/h1-4,6,11,19-20H,5,18H2,(H,21,22)
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>5.00E+4n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]SYM2081 from recombinant rat GluK1(Q)1b receptor expressed in sf9 cells incubated for 1 to 2 hrs by liquid scintillation counting...


J Med Chem 59: 448-61 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01666
BindingDB Entry DOI: 10.7270/Q2VQ34JK
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, kainate 1


(RAT)
BDBM50142604
PNG
(CHEMBL3759334)
Show SMILES NC(Cc1cc(Cl)c(Cl)c(c1)-c1cc(O)cc(O)c1)C(O)=O
Show InChI InChI=1S/C15H13Cl2NO4/c16-12-2-7(3-13(18)15(21)22)1-11(14(12)17)8-4-9(19)6-10(20)5-8/h1-2,4-6,13,19-20H,3,18H2,(H,21,22)
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>5.00E+4n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]SYM2081 from recombinant rat GluK1(Q)1b receptor expressed in sf9 cells incubated for 1 to 2 hrs by liquid scintillation counting...


J Med Chem 59: 448-61 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01666
BindingDB Entry DOI: 10.7270/Q2VQ34JK
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, kainate 1


(RAT)
BDBM50142605
PNG
(CHEMBL3759527)
Show SMILES COc1cccc(c1)-c1cc(CC(N)C(O)=O)cc(Cl)c1Cl
Show InChI InChI=1S/C16H15Cl2NO3/c1-22-11-4-2-3-10(8-11)12-5-9(6-13(17)15(12)18)7-14(19)16(20)21/h2-6,8,14H,7,19H2,1H3,(H,20,21)
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>5.00E+4n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]SYM2081 from recombinant rat GluK1(Q)1b receptor expressed in sf9 cells incubated for 1 to 2 hrs by liquid scintillation counting...


J Med Chem 59: 448-61 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01666
BindingDB Entry DOI: 10.7270/Q2VQ34JK
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, kainate 1


(RAT)
BDBM50142606
PNG
(CHEMBL3758252)
Show SMILES NC(Cc1cc(Cl)c(Cl)c(c1)-c1ccc2OCCOc2c1)C(O)=O
Show InChI InChI=1S/C17H15Cl2NO4/c18-12-6-9(7-13(20)17(21)22)5-11(16(12)19)10-1-2-14-15(8-10)24-4-3-23-14/h1-2,5-6,8,13H,3-4,7,20H2,(H,21,22)
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>5.00E+4n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]SYM2081 from recombinant rat GluK1(Q)1b receptor expressed in sf9 cells incubated for 1 to 2 hrs by liquid scintillation counting...


J Med Chem 59: 448-61 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01666
BindingDB Entry DOI: 10.7270/Q2VQ34JK
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, kainate 1


(RAT)
BDBM50142607
PNG
(CHEMBL3759390)
Show SMILES NC(Cc1cc(Cl)c(Cl)c(c1)-c1cccc(CO)c1)C(O)=O
Show InChI InChI=1S/C16H15Cl2NO3/c17-13-6-10(7-14(19)16(21)22)5-12(15(13)18)11-3-1-2-9(4-11)8-20/h1-6,14,20H,7-8,19H2,(H,21,22)
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>5.00E+4n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]SYM2081 from recombinant rat GluK1(Q)1b receptor expressed in sf9 cells incubated for 1 to 2 hrs by liquid scintillation counting...


J Med Chem 59: 448-61 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01666
BindingDB Entry DOI: 10.7270/Q2VQ34JK
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, kainate 1


(RAT)
BDBM50142608
PNG
(CHEMBL3759809)
Show SMILES NC(Cc1cc(Cl)c(Cl)c(c1)-c1ccc(CO)cc1)C(O)=O
Show InChI InChI=1S/C16H15Cl2NO3/c17-13-6-10(7-14(19)16(21)22)5-12(15(13)18)11-3-1-9(8-20)2-4-11/h1-6,14,20H,7-8,19H2,(H,21,22)
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>5.00E+4n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]SYM2081 from recombinant rat GluK1(Q)1b receptor expressed in sf9 cells incubated for 1 to 2 hrs by liquid scintillation counting...


J Med Chem 59: 448-61 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01666
BindingDB Entry DOI: 10.7270/Q2VQ34JK
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, kainate 1


(RAT)
BDBM50142609
PNG
(CHEMBL3759138)
Show SMILES NC(Cc1cc(Cl)c(Cl)c(c1)-c1cccc(N)c1)C(O)=O
Show InChI InChI=1S/C15H14Cl2N2O2/c16-12-5-8(6-13(19)15(20)21)4-11(14(12)17)9-2-1-3-10(18)7-9/h1-5,7,13H,6,18-19H2,(H,20,21)
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>5.00E+4n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]SYM2081 from recombinant rat GluK1(Q)1b receptor expressed in sf9 cells incubated for 1 to 2 hrs by liquid scintillation counting...


J Med Chem 59: 448-61 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01666
BindingDB Entry DOI: 10.7270/Q2VQ34JK
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, kainate 1


(RAT)
BDBM50142610
PNG
(CHEMBL3759124)
Show SMILES NC(Cc1cc(Cl)c(Cl)c(c1)-c1cccc(c1)S(N)(=O)=O)C(O)=O
Show InChI InChI=1S/C15H14Cl2N2O4S/c16-12-5-8(6-13(18)15(20)21)4-11(14(12)17)9-2-1-3-10(7-9)24(19,22)23/h1-5,7,13H,6,18H2,(H,20,21)(H2,19,22,23)
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>5.00E+4n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]SYM2081 from recombinant rat GluK1(Q)1b receptor expressed in sf9 cells incubated for 1 to 2 hrs by liquid scintillation counting...


J Med Chem 59: 448-61 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01666
BindingDB Entry DOI: 10.7270/Q2VQ34JK
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, kainate 1


(RAT)
BDBM50142611
PNG
(CHEMBL3759856)
Show SMILES NC(Cc1cc(Cl)c(Cl)c(c1)-c1ccc(cc1)S(N)(=O)=O)C(O)=O
Show InChI InChI=1S/C15H14Cl2N2O4S/c16-12-6-8(7-13(18)15(20)21)5-11(14(12)17)9-1-3-10(4-2-9)24(19,22)23/h1-6,13H,7,18H2,(H,20,21)(H2,19,22,23)
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>5.00E+4n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]SYM2081 from recombinant rat GluK1(Q)1b receptor expressed in sf9 cells incubated for 1 to 2 hrs by liquid scintillation counting...


J Med Chem 59: 448-61 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01666
BindingDB Entry DOI: 10.7270/Q2VQ34JK
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, kainate 1


(RAT)
BDBM50142612
PNG
(CHEMBL3758318)
Show SMILES NC(Cc1cc(Cl)c(Cl)c(c1)-c1ccc(O)nc1)C(O)=O
Show InChI InChI=1S/C14H12Cl2N2O3/c15-10-4-7(5-11(17)14(20)21)3-9(13(10)16)8-1-2-12(19)18-6-8/h1-4,6,11H,5,17H2,(H,18,19)(H,20,21)
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>5.00E+4n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]SYM2081 from recombinant rat GluK1(Q)1b receptor expressed in sf9 cells incubated for 1 to 2 hrs by liquid scintillation counting...


J Med Chem 59: 448-61 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01666
BindingDB Entry DOI: 10.7270/Q2VQ34JK
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, kainate 1


(RAT)
BDBM50142613
PNG
(CHEMBL3758779)
Show SMILES NC(Cc1cc(Cl)c(Cl)c(c1)-c1cncc(O)c1)C(O)=O
Show InChI InChI=1S/C14H12Cl2N2O3/c15-11-2-7(3-12(17)14(20)21)1-10(13(11)16)8-4-9(19)6-18-5-8/h1-2,4-6,12,19H,3,17H2,(H,20,21)
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>5.00E+4n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]SYM2081 from recombinant rat GluK1(Q)1b receptor expressed in sf9 cells incubated for 1 to 2 hrs by liquid scintillation counting...


J Med Chem 59: 448-61 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01666
BindingDB Entry DOI: 10.7270/Q2VQ34JK
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, kainate 1


(RAT)
BDBM50142616
PNG
(CHEMBL3759154)
Show SMILES NC(Cc1cccc(c1)-c1cccc(O)c1)C(O)=O
Show InChI InChI=1S/C15H15NO3/c16-14(15(18)19)8-10-3-1-4-11(7-10)12-5-2-6-13(17)9-12/h1-7,9,14,17H,8,16H2,(H,18,19)
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>5.00E+4n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]SYM2081 from recombinant rat GluK1(Q)1b receptor expressed in sf9 cells incubated for 1 to 2 hrs by liquid scintillation counting...


J Med Chem 59: 448-61 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01666
BindingDB Entry DOI: 10.7270/Q2VQ34JK
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, kainate 3


(Rattus norvegicus)
BDBM50304101
PNG
((RS)-2-Amino-3-(5,6-dichloro-3'-hydroxybiphenyl-3-...)
Show SMILES NC(Cc1cc(Cl)c(Cl)c(c1)-c1cccc(O)c1)C(O)=O
Show InChI InChI=1S/C15H13Cl2NO3/c16-12-5-8(6-13(18)15(20)21)4-11(14(12)17)9-2-1-3-10(19)7-9/h1-5,7,13,19H,6,18H2,(H,20,21)
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5.23E+4n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]SYM2081 from cloned rat GluK3A receptor expressed in sf9 cells incubated for 1 to 2 hrs by liquid scintillation counting method


J Med Chem 59: 448-61 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01666
BindingDB Entry DOI: 10.7270/Q2VQ34JK
More data for this
Ligand-Target Pair
Glutamate receptor 1


(Rattus norvegicus (Rat))
BDBM50142618
PNG
(CHEMBL3759959)
Show SMILES N[C@H](Cc1cccc(c1)-c1cccc(O)c1)C(O)=O |r|
Show InChI InChI=1S/C15H15NO3/c16-14(15(18)19)8-10-3-1-4-11(7-10)12-5-2-6-13(17)9-12/h1-7,9,14,17H,8,16H2,(H,18,19)/t14-/m1/s1
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5.41E+4n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]AMPA from rat cloned GluA1o receptor expressed in sf9 cells incubated for 1 to 2 hrs by liquid scintillation counting method


J Med Chem 59: 448-61 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01666
BindingDB Entry DOI: 10.7270/Q2VQ34JK
More data for this
Ligand-Target Pair
Glutamate receptor 3


(RAT)
BDBM50142618
PNG
(CHEMBL3759959)
Show SMILES N[C@H](Cc1cccc(c1)-c1cccc(O)c1)C(O)=O |r|
Show InChI InChI=1S/C15H15NO3/c16-14(15(18)19)8-10-3-1-4-11(7-10)12-5-2-6-13(17)9-12/h1-7,9,14,17H,8,16H2,(H,18,19)/t14-/m1/s1
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5.47E+4n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]AMPA from rat cloned GluA3o receptor expressed in sf9 cells incubated for 1 to 2 hrs by liquid scintillation counting method


J Med Chem 59: 448-61 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01666
BindingDB Entry DOI: 10.7270/Q2VQ34JK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glutamate receptor 3


(RAT)
BDBM50304101
PNG
((RS)-2-Amino-3-(5,6-dichloro-3'-hydroxybiphenyl-3-...)
Show SMILES NC(Cc1cc(Cl)c(Cl)c(c1)-c1cccc(O)c1)C(O)=O
Show InChI InChI=1S/C15H13Cl2NO3/c16-12-5-8(6-13(18)15(20)21)4-11(14(12)17)9-2-1-3-10(19)7-9/h1-5,7,13,19H,6,18H2,(H,20,21)
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5.51E+4n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]AMPA from rat cloned GluA3o receptor expressed in sf9 cells incubated for 1 to 2 hrs by liquid scintillation counting method


J Med Chem 59: 448-61 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01666
BindingDB Entry DOI: 10.7270/Q2VQ34JK
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, kainate 2


(Rattus norvegicus)
BDBM50304101
PNG
((RS)-2-Amino-3-(5,6-dichloro-3'-hydroxybiphenyl-3-...)
Show SMILES NC(Cc1cc(Cl)c(Cl)c(c1)-c1cccc(O)c1)C(O)=O
Show InChI InChI=1S/C15H13Cl2NO3/c16-12-5-8(6-13(18)15(20)21)4-11(14(12)17)9-2-1-3-10(19)7-9/h1-5,7,13,19H,6,18H2,(H,20,21)
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7.81E+4n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]SYM2081 from cloned rat GluK2(V,C,R)A receptor expressed in sf9 cells incubated for 1 to 2 hrs by liquid scintillation counting m...


J Med Chem 59: 448-61 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01666
BindingDB Entry DOI: 10.7270/Q2VQ34JK
More data for this
Ligand-Target Pair
Glutamate receptor 2


(Homo sapiens (Human))
BDBM50142618
PNG
(CHEMBL3759959)
Show SMILES N[C@H](Cc1cccc(c1)-c1cccc(O)c1)C(O)=O |r|
Show InChI InChI=1S/C15H15NO3/c16-14(15(18)19)8-10-3-1-4-11(7-10)12-5-2-6-13(17)9-12/h1-7,9,14,17H,8,16H2,(H,18,19)/t14-/m1/s1
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8.40E+4n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]AMPA from GluA2 LBD (unknown origin) incubated for 2 hrs by liquid scintillation counting method


J Med Chem 59: 448-61 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01666
BindingDB Entry DOI: 10.7270/Q2VQ34JK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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