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Compile Data Set for Download or QSAR

Found 1194 hits with Last Name = 'traynelis' and Initial = 'sf'   
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
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50304090
PNG
(CHEMBL594615 | N-(4-(3-(2-(3,4-Dichlorophenylamino...)
Show SMILES CS(=O)(=O)Nc1ccc(CCCNCCNc2ccc(Cl)c(Cl)c2)cc1
Show InChI InChI=1S/C18H23Cl2N3O2S/c1-26(24,25)23-15-6-4-14(5-7-15)3-2-10-21-11-12-22-16-8-9-17(19)18(20)13-16/h4-9,13,21-23H,2-3,10-12H2,1H3
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14n/an/an/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Displacement of [3H]astemizole from human recombinant ERG expressed in HEK293 cells


Bioorg Med Chem 17: 6463-80 (2009)


Article DOI: 10.1016/j.bmc.2009.05.085
BindingDB Entry DOI: 10.7270/Q2M61KB5
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2A


(Rattus norvegicus (Rat))
BDBM213889
PNG
(5,7-Dichlorokynurenic acid (5,7-DCKA))
Show SMILES OC(=O)c1cc(=O)c2c(Cl)cc(Cl)cc2[nH]1
Show InChI InChI=1S/C10H5Cl2NO3/c11-4-1-5(12)9-6(2-4)13-7(10(15)16)3-8(9)14/h1-3H,(H,13,14)(H,15,16)
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65 -41.0 92n/an/an/an/a7.425



University of Copenhagen



Assay Description
Two-electrode voltage clamp (TEVC) recordings were performed on Xenopus oocytes at room temperature 3-6 days postinjection using an OC-725C TEVC ampl...


J Biol Chem 288: 33124-35 (2013)


Article DOI: 10.1074/jbc.M113.480210
BindingDB Entry DOI: 10.7270/Q2MG7NB1
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM50304085
PNG
(CHEMBL607819 | N-(2-(3,4-Dichlorophenylamino)ethyl...)
Show SMILES CS(=O)(=O)Nc1ccc(OCC(=O)NCCNc2ccc(Cl)c(Cl)c2)cc1
Show InChI InChI=1S/C17H19Cl2N3O4S/c1-27(24,25)22-12-2-5-14(6-3-12)26-11-17(23)21-9-8-20-13-4-7-15(18)16(19)10-13/h2-7,10,20,22H,8-9,11H2,1H3,(H,21,23)
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119n/an/an/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Displacement of [3H]ifenprodil form NR2B receptor in Wistar rat cerebral cortex membrane


Bioorg Med Chem 17: 6463-80 (2009)


Article DOI: 10.1016/j.bmc.2009.05.085
BindingDB Entry DOI: 10.7270/Q2M61KB5
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2D


(Rattus norvegicus (Rat))
BDBM213888
PNG
(1-thioxo-1,2-dihydro-[1,2,4]triazolo[4,3-a]-quinox...)
Show SMILES Sc1nnc2n1c1ccccc1[nH]c2=O
Show InChI InChI=1S/C9H6N4OS/c14-8-7-11-12-9(15)13(7)6-4-2-1-3-5(6)10-8/h1-4H,(H,10,14)(H,12,15)
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>300>-37.2>3.00E+3n/an/an/an/a7.425



University of Copenhagen



Assay Description
Two-electrode voltage clamp (TEVC) recordings were performed on Xenopus oocytes at room temperature 3-6 days postinjection using an OC-725C TEVC ampl...


J Biol Chem 288: 33124-35 (2013)


Article DOI: 10.1074/jbc.M113.480210
BindingDB Entry DOI: 10.7270/Q2MG7NB1
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50304088
PNG
(CHEMBL596046 | N-(4-(2-(2-(3,4-Dichlorophenylamino...)
Show SMILES CS(=O)(=O)Nc1ccc(OCCNCCNc2ccc(Cl)c(Cl)c2)cc1
Show InChI InChI=1S/C17H21Cl2N3O3S/c1-26(23,24)22-13-2-5-15(6-3-13)25-11-10-20-8-9-21-14-4-7-16(18)17(19)12-14/h2-7,12,20-22H,8-11H2,1H3
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300n/an/an/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Displacement of [3H]astemizole from human recombinant ERG expressed in HEK293 cells


Bioorg Med Chem 17: 6463-80 (2009)


Article DOI: 10.1016/j.bmc.2009.05.085
BindingDB Entry DOI: 10.7270/Q2M61KB5
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM50304087
PNG
(CHEMBL596036 | N-(4-(2-(3-(3,4-Dichlorophenyl)-2-o...)
Show SMILES CS(=O)(=O)Nc1ccc(OCCN2CCN(C2=O)c2ccc(Cl)c(Cl)c2)cc1
Show InChI InChI=1S/C18H19Cl2N3O4S/c1-28(25,26)21-13-2-5-15(6-3-13)27-11-10-22-8-9-23(18(22)24)14-4-7-16(19)17(20)12-14/h2-7,12,21H,8-11H2,1H3
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300n/an/an/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Displacement of [3H]ifenprodil form NR2B receptor in Wistar rat cerebral cortex membrane


Bioorg Med Chem 17: 6463-80 (2009)


Article DOI: 10.1016/j.bmc.2009.05.085
BindingDB Entry DOI: 10.7270/Q2M61KB5
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM168618
PNG
(US9079852, Table F, Compound 3)
Show SMILES CS(=O)(=O)Nc1ccc(OC[C@@H](O)CN2CCN(CC2)c2ccc(Cl)cc2)cc1 |r|
Show InChI InChI=1S/C20H26ClN3O4S/c1-29(26,27)22-17-4-8-20(9-5-17)28-15-19(25)14-23-10-12-24(13-11-23)18-6-2-16(21)3-7-18/h2-9,19,22,25H,10-15H2,1H3/t19-/m0/s1
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553n/an/an/an/an/an/an/an/a



Emory University; NeurOp, Inc.

US Patent


Assay Description
Compounds were evaluated for binding to the human ether-a-go-go potassium channel (hERG) expressed in HEK293 cells by displacement of 3[H]-astemizole...


US Patent US9079852 (2015)


BindingDB Entry DOI: 10.7270/Q2K35SF5
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2A


(Rattus norvegicus (Rat))
BDBM213888
PNG
(1-thioxo-1,2-dihydro-[1,2,4]triazolo[4,3-a]-quinox...)
Show SMILES Sc1nnc2n1c1ccccc1[nH]c2=O
Show InChI InChI=1S/C9H6N4OS/c14-8-7-11-12-9(15)13(7)6-4-2-1-3-5(6)10-8/h1-4H,(H,10,14)(H,12,15)
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560 -35.7 770n/an/an/an/a7.425



University of Copenhagen



Assay Description
Two-electrode voltage clamp (TEVC) recordings were performed on Xenopus oocytes at room temperature 3-6 days postinjection using an OC-725C TEVC ampl...


J Biol Chem 288: 33124-35 (2013)


Article DOI: 10.1074/jbc.M113.480210
BindingDB Entry DOI: 10.7270/Q2MG7NB1
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2C


(Rattus norvegicus (Rat))
BDBM213888
PNG
(1-thioxo-1,2-dihydro-[1,2,4]triazolo[4,3-a]-quinox...)
Show SMILES Sc1nnc2n1c1ccccc1[nH]c2=O
Show InChI InChI=1S/C9H6N4OS/c14-8-7-11-12-9(15)13(7)6-4-2-1-3-5(6)10-8/h1-4H,(H,10,14)(H,12,15)
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>800>-34.8>3.00E+3n/an/an/an/a7.425



University of Copenhagen



Assay Description
Two-electrode voltage clamp (TEVC) recordings were performed on Xenopus oocytes at room temperature 3-6 days postinjection using an OC-725C TEVC ampl...


J Biol Chem 288: 33124-35 (2013)


Article DOI: 10.1074/jbc.M113.480210
BindingDB Entry DOI: 10.7270/Q2MG7NB1
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM50304086
PNG
(CHEMBL594417 | N-(4-(2-(4-(3,4-Dichlorophenyl)pipe...)
Show SMILES CS(=O)(=O)Nc1ccc(OCC(=O)N2CCN(CC2)c2ccc(Cl)c(Cl)c2)cc1
Show InChI InChI=1S/C19H21Cl2N3O4S/c1-29(26,27)22-14-2-5-16(6-3-14)28-13-19(25)24-10-8-23(9-11-24)15-4-7-17(20)18(21)12-15/h2-7,12,22H,8-11,13H2,1H3
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817n/an/an/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Displacement of [3H]ifenprodil form NR2B receptor in Wistar rat cerebral cortex membrane


Bioorg Med Chem 17: 6463-80 (2009)


Article DOI: 10.1016/j.bmc.2009.05.085
BindingDB Entry DOI: 10.7270/Q2M61KB5
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM168620
PNG
(US9079852, Table F, Compound 5)
Show SMILES O[C@H](COc1ccc2[nH]ncc2c1)CN1CCN(CC1)c1ccc(Cl)cc1 |r|
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1.00E+3n/an/an/an/an/an/an/an/a



Emory University; NeurOp, Inc.

US Patent


Assay Description
Compounds were evaluated for binding to the human ether-a-go-go potassium channel (hERG) expressed in HEK293 cells by displacement of 3[H]-astemizole...


US Patent US9079852 (2015)


BindingDB Entry DOI: 10.7270/Q2K35SF5
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM213888
PNG
(1-thioxo-1,2-dihydro-[1,2,4]triazolo[4,3-a]-quinox...)
Show SMILES Sc1nnc2n1c1ccccc1[nH]c2=O
Show InChI InChI=1S/C9H6N4OS/c14-8-7-11-12-9(15)13(7)6-4-2-1-3-5(6)10-8/h1-4H,(H,10,14)(H,12,15)
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>1.30E+3>-33.6>3.00E+3n/an/an/an/a7.425



University of Copenhagen



Assay Description
Two-electrode voltage clamp (TEVC) recordings were performed on Xenopus oocytes at room temperature 3-6 days postinjection using an OC-725C TEVC ampl...


J Biol Chem 288: 33124-35 (2013)


Article DOI: 10.1074/jbc.M113.480210
BindingDB Entry DOI: 10.7270/Q2MG7NB1
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM168617
PNG
(US9079852, Table F, Compound 2)
Show SMILES O[C@H](COc1ccc2[nH]c(=O)oc2c1)CN1CCN(CC1)c1ccc(Cl)cc1 |r|
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1.60E+3n/an/an/an/an/an/an/an/a



Emory University; NeurOp, Inc.

US Patent


Assay Description
Compounds were evaluated for binding to the human ether-a-go-go potassium channel (hERG) expressed in HEK293 cells by displacement of 3[H]-astemizole...


US Patent US9079852 (2015)


BindingDB Entry DOI: 10.7270/Q2K35SF5
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50304091
PNG
(CHEMBL609857 | N-(3,4-Dichlorocinnamyl)-3-(4-(meth...)
Show SMILES CS(=O)(=O)Nc1ccc(CCC(=O)NC\C=C\c2ccc(Cl)c(Cl)c2)cc1
Show InChI InChI=1S/C19H20Cl2N2O3S/c1-27(25,26)23-16-8-4-14(5-9-16)7-11-19(24)22-12-2-3-15-6-10-17(20)18(21)13-15/h2-6,8-10,13,23H,7,11-12H2,1H3,(H,22,24)/b3-2+
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3.00E+3n/an/an/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Displacement of [3H]astemizole from human recombinant ERG expressed in HEK293 cells


Bioorg Med Chem 17: 6463-80 (2009)


Article DOI: 10.1016/j.bmc.2009.05.085
BindingDB Entry DOI: 10.7270/Q2M61KB5
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50304089
PNG
(CHEMBL595318 | N-(2-(3,4-Dichlorophenylamino)ethyl...)
Show SMILES CS(=O)(=O)Nc1ccc(CCC(=O)NCCNc2ccc(Cl)c(Cl)c2)cc1
Show InChI InChI=1S/C18H21Cl2N3O3S/c1-27(25,26)23-14-5-2-13(3-6-14)4-9-18(24)22-11-10-21-15-7-8-16(19)17(20)12-15/h2-3,5-8,12,21,23H,4,9-11H2,1H3,(H,22,24)
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4.62E+3n/an/an/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Displacement of [3H]astemizole from human recombinant ERG expressed in HEK293 cells


Bioorg Med Chem 17: 6463-80 (2009)


Article DOI: 10.1016/j.bmc.2009.05.085
BindingDB Entry DOI: 10.7270/Q2M61KB5
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM168626
PNG
(US9079852, Table F, Compound 11)
Show SMILES O[C@H](COc1ccc2NC(=O)CCc2c1)CN1CCN(CC1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C22H26ClN3O3/c23-17-2-4-18(5-3-17)26-11-9-25(10-12-26)14-19(27)15-29-20-6-7-21-16(13-20)1-8-22(28)24-21/h2-7,13,19,27H,1,8-12,14-15H2,(H,24,28)/t19-/m0/s1
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5.00E+3n/an/an/an/an/an/an/an/a



Emory University; NeurOp, Inc.

US Patent


Assay Description
Compounds were evaluated for binding to the human ether-a-go-go potassium channel (hERG) expressed in HEK293 cells by displacement of 3[H]-astemizole...


US Patent US9079852 (2015)


BindingDB Entry DOI: 10.7270/Q2K35SF5
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM168625
PNG
(US9079852, Table F, Compound 10)
Show SMILES O[C@H](COc1ccc2[nH]c(=S)[nH]c2c1)CN1CCN(CC1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C20H21ClN4O2S/c21-14-1-3-15(4-2-14)25-9-7-24(8-10-25)12-16(26)13-27-17-5-6-18-19(11-17)23-20(28)22-18/h1-6,11,16,26H,7-10,12-13H2/t16-/m0/s1
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7.50E+3n/an/an/an/an/an/an/an/a



Emory University; NeurOp, Inc.

US Patent


Assay Description
Compounds were evaluated for binding to the human ether-a-go-go potassium channel (hERG) expressed in HEK293 cells by displacement of 3[H]-astemizole...


US Patent US9079852 (2015)


BindingDB Entry DOI: 10.7270/Q2K35SF5
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM168622
PNG
(US9079852, Table F, Compound 7)
Show SMILES O[C@H](COc1ccc2[nH]c(=O)[nH]c2c1)CN1CCN(CC1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C20H21ClN4O3/c21-14-1-3-15(4-2-14)25-9-7-24(8-10-25)12-16(26)13-28-17-5-6-18-19(11-17)23-20(27)22-18/h1-6,11,16,26H,7-10,12-13H2/t16-/m0/s1
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7.50E+3n/an/an/an/an/an/an/an/a



Emory University; NeurOp, Inc.

US Patent


Assay Description
Compounds were evaluated for binding to the human ether-a-go-go potassium channel (hERG) expressed in HEK293 cells by displacement of 3[H]-astemizole...


US Patent US9079852 (2015)


BindingDB Entry DOI: 10.7270/Q2K35SF5
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM168621
PNG
(US9079852, Table F, Compound 6)
Show SMILES O[C@H](COc1ccc2[nH]c(=O)ccc2c1)CN1CCN(CC1)c1ccc(Cl)cc1 |r|
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7.50E+3n/an/an/an/an/an/an/an/a



Emory University; NeurOp, Inc.

US Patent


Assay Description
Compounds were evaluated for binding to the human ether-a-go-go potassium channel (hERG) expressed in HEK293 cells by displacement of 3[H]-astemizole...


US Patent US9079852 (2015)


BindingDB Entry DOI: 10.7270/Q2K35SF5
More data for this
Ligand-Target Pair
Histamine H2 receptor


(Homo sapiens (Human))
BDBM50440057
PNG
(CHEMBL2426097)
Show SMILES OC(=O)CCC(=O)N1N=C(CC1c1ccc(Cl)cc1)c1c(-c2ccc(Cl)cc2)c2ccccc2[nH]c1=O |c:8|
Show InChI InChI=1S/C28H21Cl2N3O4/c29-18-9-5-16(6-10-18)23-15-22(32-33(23)24(34)13-14-25(35)36)27-26(17-7-11-19(30)12-8-17)20-3-1-2-4-21(20)31-28(27)37/h1-12,23H,13-15H2,(H,31,37)(H,35,36)
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>1.00E+4n/an/an/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Inhibition of histamine H2 receptor (unknown origin)


J Med Chem 56: 6434-56 (2013)


Article DOI: 10.1021/jm400652r
BindingDB Entry DOI: 10.7270/Q26H4JTJ
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM168624
PNG
(US9079852, Table F, Compound 9)
Show SMILES O[C@H](COc1ccc2NC(=O)Cc2c1)CN1CCN(CC1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C21H24ClN3O3/c22-16-1-3-17(4-2-16)25-9-7-24(8-10-25)13-18(26)14-28-19-5-6-20-15(11-19)12-21(27)23-20/h1-6,11,18,26H,7-10,12-14H2,(H,23,27)/t18-/m0/s1
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US Patent
1.00E+4n/an/an/an/an/an/an/an/a



Emory University; NeurOp, Inc.

US Patent


Assay Description
Compounds were evaluated for binding to the human ether-a-go-go potassium channel (hERG) expressed in HEK293 cells by displacement of 3[H]-astemizole...


US Patent US9079852 (2015)


BindingDB Entry DOI: 10.7270/Q2K35SF5
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM168619
PNG
(US9079852, Table F, Compound 4)
Show SMILES NC(=O)Nc1ccc(OC[C@@H](O)CN2CCN(CC2)c2ccc(Cl)cc2)cc1 |r|
Show InChI InChI=1S/C20H25ClN4O3/c21-15-1-5-17(6-2-15)25-11-9-24(10-12-25)13-18(26)14-28-19-7-3-16(4-8-19)23-20(22)27/h1-8,18,26H,9-14H2,(H3,22,23,27)/t18-/m0/s1
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1.30E+4n/an/an/an/an/an/an/an/a



Emory University; NeurOp, Inc.

US Patent


Assay Description
Compounds were evaluated for binding to the human ether-a-go-go potassium channel (hERG) expressed in HEK293 cells by displacement of 3[H]-astemizole...


US Patent US9079852 (2015)


BindingDB Entry DOI: 10.7270/Q2K35SF5
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1 [F484A,T518L]/3A


(Rattus norvegicus (Rat))
BDBM213889
PNG
(5,7-Dichlorokynurenic acid (5,7-DCKA))
Show SMILES OC(=O)c1cc(=O)c2c(Cl)cc(Cl)cc2[nH]1
Show InChI InChI=1S/C10H5Cl2NO3/c11-4-1-5(12)9-6(2-4)13-7(10(15)16)3-8(9)14/h1-3H,(H,13,14)(H,15,16)
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3.50E+4 -25.4 9.70E+4n/an/an/an/a7.425



University of Copenhagen



Assay Description
Two-electrode voltage clamp (TEVC) recordings were performed on Xenopus oocytes at room temperature 3-6 days postinjection using an OC-725C TEVC ampl...


J Biol Chem 288: 33124-35 (2013)


Article DOI: 10.1074/jbc.M113.480210
BindingDB Entry DOI: 10.7270/Q2MG7NB1
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM168616
PNG
(US9079852, Table F, Compound 1)
Show SMILES O[C@H](COc1ccc(O)cc1)CN1CCN(CC1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C19H23ClN2O3/c20-15-1-3-16(4-2-15)22-11-9-21(10-12-22)13-18(24)14-25-19-7-5-17(23)6-8-19/h1-8,18,23-24H,9-14H2/t18-/m0/s1
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3.90E+4n/an/an/an/an/an/an/an/a



Emory University; NeurOp, Inc.

US Patent


Assay Description
Compounds were evaluated for binding to the human ether-a-go-go potassium channel (hERG) expressed in HEK293 cells by displacement of 3[H]-astemizole...


US Patent US9079852 (2015)


BindingDB Entry DOI: 10.7270/Q2K35SF5
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1 [F484A,T518L]/3B


(Rattus norvegicus (Rat))
BDBM213889
PNG
(5,7-Dichlorokynurenic acid (5,7-DCKA))
Show SMILES OC(=O)c1cc(=O)c2c(Cl)cc(Cl)cc2[nH]1
Show InChI InChI=1S/C10H5Cl2NO3/c11-4-1-5(12)9-6(2-4)13-7(10(15)16)3-8(9)14/h1-3H,(H,13,14)(H,15,16)
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>1.50E+5>-21.8>3.00E+5n/an/an/an/a7.425



University of Copenhagen



Assay Description
Two-electrode voltage clamp (TEVC) recordings were performed on Xenopus oocytes at room temperature 3-6 days postinjection using an OC-725C TEVC ampl...


J Biol Chem 288: 33124-35 (2013)


Article DOI: 10.1074/jbc.M113.480210
BindingDB Entry DOI: 10.7270/Q2MG7NB1
More data for this
Ligand-Target Pair
Glutamate receptor 1


(Rattus norvegicus (Rat))
BDBM213888
PNG
(1-thioxo-1,2-dihydro-[1,2,4]triazolo[4,3-a]-quinox...)
Show SMILES Sc1nnc2n1c1ccccc1[nH]c2=O
Show InChI InChI=1S/C9H6N4OS/c14-8-7-11-12-9(15)13(7)6-4-2-1-3-5(6)10-8/h1-4H,(H,10,14)(H,12,15)
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>1.80E+5>-21.4>3.00E+5n/an/an/an/a7.425



University of Copenhagen



Assay Description
Two-electrode voltage clamp (TEVC) recordings were performed on Xenopus oocytes at room temperature 3-6 days postinjection using an OC-725C TEVC ampl...


J Biol Chem 288: 33124-35 (2013)


Article DOI: 10.1074/jbc.M113.480210
BindingDB Entry DOI: 10.7270/Q2MG7NB1
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2C


(Rattus norvegicus (Rat))
BDBM213888
PNG
(1-thioxo-1,2-dihydro-[1,2,4]triazolo[4,3-a]-quinox...)
Show SMILES Sc1nnc2n1c1ccccc1[nH]c2=O
Show InChI InChI=1S/C9H6N4OS/c14-8-7-11-12-9(15)13(7)6-4-2-1-3-5(6)10-8/h1-4H,(H,10,14)(H,12,15)
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n/an/a 34n/an/an/an/a7.425



University of Copenhagen



Assay Description
Two-electrode voltage clamp (TEVC) recordings were performed on Xenopus oocytes at room temperature 3-6 days postinjection using an OC-725C TEVC ampl...


J Biol Chem 288: 33124-35 (2013)


Article DOI: 10.1074/jbc.M113.480210
BindingDB Entry DOI: 10.7270/Q2MG7NB1
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(RAT)
BDBM50253203
PNG
((S)-1-(4-Methanesulfonamidophenoxy)-3-(N-(2-bromob...)
Show SMILES CS(=O)(=O)Nc1ccc(OC[C@@H](O)CN(CCc2ccc(Cl)c(Cl)c2)Cc2ccccc2Br)cc1 |r|
Show InChI InChI=1S/C25H27BrCl2N2O4S/c1-35(32,33)29-20-7-9-22(10-8-20)34-17-21(31)16-30(15-19-4-2-3-5-23(19)26)13-12-18-6-11-24(27)25(28)14-18/h2-11,14,21,29,31H,12-13,15-17H2,1H3/t21-/m0/s1
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n/an/a 38n/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant NR1/NR2B receptor expressed in Xenopus oocytes assessed as inhibition of glutamate and glycine-induced evoked current b...


J Med Chem 51: 5506-21 (2008)


Article DOI: 10.1021/jm8002153
BindingDB Entry DOI: 10.7270/Q2PZ59QH
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM213888
PNG
(1-thioxo-1,2-dihydro-[1,2,4]triazolo[4,3-a]-quinox...)
Show SMILES Sc1nnc2n1c1ccccc1[nH]c2=O
Show InChI InChI=1S/C9H6N4OS/c14-8-7-11-12-9(15)13(7)6-4-2-1-3-5(6)10-8/h1-4H,(H,10,14)(H,12,15)
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n/an/a 40n/an/an/an/a7.425



University of Copenhagen



Assay Description
Two-electrode voltage clamp (TEVC) recordings were performed on Xenopus oocytes at room temperature 3-6 days postinjection using an OC-725C TEVC ampl...


J Biol Chem 288: 33124-35 (2013)


Article DOI: 10.1074/jbc.M113.480210
BindingDB Entry DOI: 10.7270/Q2MG7NB1
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(RAT)
BDBM50252672
PNG
((S)-1-(4-Methanesulfonamidephenoxy)-3-(3,4-dichlor...)
Show SMILES CS(=O)(=O)Nc1ccc(OC[C@@H](O)CNCCc2ccc(Cl)c(Cl)c2)cc1 |r|
Show InChI InChI=1S/C18H22Cl2N2O4S/c1-27(24,25)22-14-3-5-16(6-4-14)26-12-15(23)11-21-9-8-13-2-7-17(19)18(20)10-13/h2-7,10,15,21-23H,8-9,11-12H2,1H3/t15-/m0/s1
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n/an/a 50n/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant NR1/NR2B receptor expressed in Xenopus oocytes assessed as inhibition of glutamate and glycine-induced evoked current b...


J Med Chem 51: 5506-21 (2008)


Article DOI: 10.1021/jm8002153
BindingDB Entry DOI: 10.7270/Q2PZ59QH
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(RAT)
BDBM50253241
PNG
((S)-1-(4-Methanesulfonamidophenoxy)-3-(N-(2,3,4-tr...)
Show SMILES CS(=O)(=O)Nc1ccc(OC[C@@H](O)CN(CCc2ccc(Cl)c(Cl)c2)Cc2ccc(F)c(F)c2F)cc1 |r|
Show InChI InChI=1S/C25H25Cl2F3N2O4S/c1-37(34,35)31-18-4-6-20(7-5-18)36-15-19(33)14-32(11-10-16-2-8-21(26)22(27)12-16)13-17-3-9-23(28)25(30)24(17)29/h2-9,12,19,31,33H,10-11,13-15H2,1H3/t19-/m0/s1
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n/an/a 51n/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant NR1/NR2B receptor expressed in Xenopus oocytes assessed as inhibition of glutamate and glycine-induced evoked current b...


J Med Chem 51: 5506-21 (2008)


Article DOI: 10.1021/jm8002153
BindingDB Entry DOI: 10.7270/Q2PZ59QH
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1/2B


(Rattus norvegicus (Rat)-RAT)
BDBM50304085
PNG
(CHEMBL607819 | N-(2-(3,4-Dichlorophenylamino)ethyl...)
Show SMILES CS(=O)(=O)Nc1ccc(OCC(=O)NCCNc2ccc(Cl)c(Cl)c2)cc1
Show InChI InChI=1S/C17H19Cl2N3O4S/c1-27(24,25)22-12-2-5-14(6-3-12)26-11-17(23)21-9-8-20-13-4-7-15(18)16(19)10-13/h2-7,10,20,22H,8-9,11H2,1H3,(H,21,23)
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n/an/a 57n/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Antagonist activity at rat recombinant NR1/NR2B receptor expressed in frog oocytes assessed as inhibition of glutamate/glycine-induced current by two...


Bioorg Med Chem 17: 6463-80 (2009)


Article DOI: 10.1016/j.bmc.2009.05.085
BindingDB Entry DOI: 10.7270/Q2M61KB5
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1/2B


(Rattus norvegicus (Rat)-RAT)
BDBM50304085
PNG
(CHEMBL607819 | N-(2-(3,4-Dichlorophenylamino)ethyl...)
Show SMILES CS(=O)(=O)Nc1ccc(OCC(=O)NCCNc2ccc(Cl)c(Cl)c2)cc1
Show InChI InChI=1S/C17H19Cl2N3O4S/c1-27(24,25)22-12-2-5-14(6-3-12)26-11-17(23)21-9-8-20-13-4-7-15(18)16(19)10-13/h2-7,10,20,22H,8-9,11H2,1H3,(H,21,23)
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n/an/a 57n/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Antagonist activity at wild type rat NR1/NR2B receptor expressed in Xenopus laevis oocytes assessed as inhibition of glutamate/glycine-induced curren...


Bioorg Med Chem 17: 6463-80 (2009)


Article DOI: 10.1016/j.bmc.2009.05.085
BindingDB Entry DOI: 10.7270/Q2M61KB5
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(RAT)
BDBM50252889
PNG
((S)-1-(4-Methanesulfonamidophenoxy)-3-(3-fluoro-4-...)
Show SMILES CS(=O)(=O)Nc1ccc(OC[C@@H](O)CNCCc2ccc(Cl)c(F)c2)cc1 |r|
Show InChI InChI=1S/C18H22ClFN2O4S/c1-27(24,25)22-14-3-5-16(6-4-14)26-12-15(23)11-21-9-8-13-2-7-17(19)18(20)10-13/h2-7,10,15,21-23H,8-9,11-12H2,1H3/t15-/m0/s1
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n/an/a 68n/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant NR1/NR2B receptor expressed in Xenopus oocytes assessed as inhibition of glutamate and glycine-induced evoked current b...


J Med Chem 51: 5506-21 (2008)


Article DOI: 10.1021/jm8002153
BindingDB Entry DOI: 10.7270/Q2PZ59QH
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50253032
PNG
((S)-1-(4-Methanesulfonamidophenoxy)-3-(N-butyl-3,4...)
Show SMILES CCCCN(CCc1ccc(Cl)c(Cl)c1)C[C@H](O)COc1ccc(NS(C)(=O)=O)cc1 |r|
Show InChI InChI=1S/C22H30Cl2N2O4S/c1-3-4-12-26(13-11-17-5-10-21(23)22(24)14-17)15-19(27)16-30-20-8-6-18(7-9-20)25-31(2,28)29/h5-10,14,19,25,27H,3-4,11-13,15-16H2,1-2H3/t19-/m0/s1
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n/an/a 70n/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Displacement of [3H]astemizole from human ERG expressed in HEK293 cells


J Med Chem 51: 5506-21 (2008)


Article DOI: 10.1021/jm8002153
BindingDB Entry DOI: 10.7270/Q2PZ59QH
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(RAT)
BDBM50252673
PNG
((S)-1-(4-Methanesulfonamido-2-fluorophenoxy)-3-(3,...)
Show SMILES CS(=O)(=O)Nc1ccc(OC[C@@H](O)CNCCc2ccc(Cl)c(Cl)c2)c(F)c1 |r|
Show InChI InChI=1S/C18H21Cl2FN2O4S/c1-28(25,26)23-13-3-5-18(17(21)9-13)27-11-14(24)10-22-7-6-12-2-4-15(19)16(20)8-12/h2-5,8-9,14,22-24H,6-7,10-11H2,1H3/t14-/m0/s1
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n/an/a 72n/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant NR1/NR2B receptor expressed in Xenopus oocytes assessed as inhibition of glutamate and glycine-induced evoked current b...


J Med Chem 51: 5506-21 (2008)


Article DOI: 10.1021/jm8002153
BindingDB Entry DOI: 10.7270/Q2PZ59QH
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(RAT)
BDBM50007674
PNG
((+)-erythro 4-[2-(4-Benzyl-piperidin-1-yl)-1-hydro...)
Show SMILES C[C@@H]([C@H](O)c1ccc(O)cc1)N1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C21H27NO2/c1-16(21(24)19-7-9-20(23)10-8-19)22-13-11-18(12-14-22)15-17-5-3-2-4-6-17/h2-10,16,18,21,23-24H,11-15H2,1H3/t16-,21-/m0/s1
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n/an/a 73n/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant NR1/NR2B receptor expressed in Xenopus oocytes assessed as inhibition of glutamate and glycine-induced evoked current b...


J Med Chem 51: 5506-21 (2008)


Article DOI: 10.1021/jm8002153
BindingDB Entry DOI: 10.7270/Q2PZ59QH
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glutamate receptor ionotropic, NMDA 1


(RAT)
BDBM50253204
PNG
((S)-1-(4-Methanesulfonamidophenoxy)-3-(N-(2-fluoro...)
Show SMILES CS(=O)(=O)Nc1ccc(OC[C@@H](O)CN(CCc2ccc(Cl)c(Cl)c2)Cc2ccccc2F)cc1 |r|
Show InChI InChI=1S/C25H27Cl2FN2O4S/c1-35(32,33)29-20-7-9-22(10-8-20)34-17-21(31)16-30(15-19-4-2-3-5-25(19)28)13-12-18-6-11-23(26)24(27)14-18/h2-11,14,21,29,31H,12-13,15-17H2,1H3/t21-/m0/s1
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n/an/a 80n/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant NR1/NR2B receptor expressed in Xenopus oocytes assessed as inhibition of glutamate and glycine-induced evoked current b...


J Med Chem 51: 5506-21 (2008)


Article DOI: 10.1021/jm8002153
BindingDB Entry DOI: 10.7270/Q2PZ59QH
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(RAT)
BDBM50253003
PNG
((S)-1-(4-Methanesulfonamidophenoxy)-3-(N-ethyl-3,4...)
Show SMILES CCN(CCc1ccc(Cl)c(Cl)c1)C[C@H](O)COc1ccc(NS(C)(=O)=O)cc1 |r|
Show InChI InChI=1S/C20H26Cl2N2O4S/c1-3-24(11-10-15-4-9-19(21)20(22)12-15)13-17(25)14-28-18-7-5-16(6-8-18)23-29(2,26)27/h4-9,12,17,23,25H,3,10-11,13-14H2,1-2H3/t17-/m0/s1
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n/an/a 96n/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant NR1/NR2B receptor expressed in Xenopus oocytes assessed as inhibition of glutamate and glycine-induced evoked current b...


J Med Chem 51: 5506-21 (2008)


Article DOI: 10.1021/jm8002153
BindingDB Entry DOI: 10.7270/Q2PZ59QH
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM168626
PNG
(US9079852, Table F, Compound 11)
Show SMILES O[C@H](COc1ccc2NC(=O)CCc2c1)CN1CCN(CC1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C22H26ClN3O3/c23-17-2-4-18(5-3-17)26-11-9-25(10-12-26)14-19(27)15-29-20-6-7-21-16(13-20)1-8-22(28)24-21/h2-7,13,19,27H,1,8-12,14-15H2,(H,24,28)/t19-/m0/s1
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US Patent
n/an/a 100n/an/an/an/an/an/a



Emory University; NeurOp, Inc.

US Patent


Assay Description
Binding to the rat alpha-1 adrenergic receptor in rat brain membranes was determined by displacement of 3[H]-prazosin (P. Greengrass and R. Bremner; ...


US Patent US9079852 (2015)


BindingDB Entry DOI: 10.7270/Q2K35SF5
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM168624
PNG
(US9079852, Table F, Compound 9)
Show SMILES O[C@H](COc1ccc2NC(=O)Cc2c1)CN1CCN(CC1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C21H24ClN3O3/c22-16-1-3-17(4-2-16)25-9-7-24(8-10-25)13-18(26)14-28-19-5-6-20-15(11-19)12-21(27)23-20/h1-6,11,18,26H,7-10,12-14H2,(H,23,27)/t18-/m0/s1
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US Patent
n/an/a 100n/an/an/an/an/an/a



Emory University; NeurOp, Inc.

US Patent


Assay Description
Binding to the rat alpha-1 adrenergic receptor in rat brain membranes was determined by displacement of 3[H]-prazosin (P. Greengrass and R. Bremner; ...


US Patent US9079852 (2015)


BindingDB Entry DOI: 10.7270/Q2K35SF5
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(RAT)
BDBM50252886
PNG
((S)-1-(4-Methanesulfonamidophenoxy)-3-(4-chlorophe...)
Show SMILES CS(=O)(=O)Nc1ccc(OC[C@@H](O)CNCCc2ccc(Cl)cc2)cc1 |r|
Show InChI InChI=1S/C18H23ClN2O4S/c1-26(23,24)21-16-6-8-18(9-7-16)25-13-17(22)12-20-11-10-14-2-4-15(19)5-3-14/h2-9,17,20-22H,10-13H2,1H3/t17-/m0/s1
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n/an/a 101n/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant NR1/NR2B receptor expressed in Xenopus oocytes assessed as inhibition of glutamate and glycine-induced evoked current b...


J Med Chem 51: 5506-21 (2008)


Article DOI: 10.1021/jm8002153
BindingDB Entry DOI: 10.7270/Q2PZ59QH
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(RAT)
BDBM50253078
PNG
((S)-1-(4-Methanesulfonamidophenoxy)-3-(N-(4-hydrox...)
Show SMILES CS(=O)(=O)Nc1ccc(OC[C@@H](O)CN(CCc2ccc(Cl)c(Cl)c2)Cc2ccc(O)cc2)cc1 |r|
Show InChI InChI=1S/C25H28Cl2N2O5S/c1-35(32,33)28-20-5-9-23(10-6-20)34-17-22(31)16-29(15-19-2-7-21(30)8-3-19)13-12-18-4-11-24(26)25(27)14-18/h2-11,14,22,28,30-31H,12-13,15-17H2,1H3/t22-/m0/s1
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n/an/a 113n/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant NR1/NR2B receptor expressed in Xenopus oocytes assessed as inhibition of glutamate and glycine-induced evoked current b...


J Med Chem 51: 5506-21 (2008)


Article DOI: 10.1021/jm8002153
BindingDB Entry DOI: 10.7270/Q2PZ59QH
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(RAT)
BDBM50253030
PNG
((S)-1-(4-Methanesulfonamidophenoxy)-3-(N-(2-hydrox...)
Show SMILES CS(=O)(=O)Nc1ccc(OC[C@@H](O)CN(CCO)CCc2ccc(Cl)c(Cl)c2)cc1 |r|
Show InChI InChI=1S/C20H26Cl2N2O5S/c1-30(27,28)23-16-3-5-18(6-4-16)29-14-17(26)13-24(10-11-25)9-8-15-2-7-19(21)20(22)12-15/h2-7,12,17,23,25-26H,8-11,13-14H2,1H3/t17-/m0/s1
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n/an/a 122n/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant NR1/NR2B receptor expressed in Xenopus oocytes assessed as inhibition of glutamate and glycine-induced evoked current b...


J Med Chem 51: 5506-21 (2008)


Article DOI: 10.1021/jm8002153
BindingDB Entry DOI: 10.7270/Q2PZ59QH
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50253031
PNG
((S)-1-(4-Methanesulfonamidophenoxy)3-(N-propyl-3,4...)
Show SMILES CCCN(CCc1ccc(Cl)c(Cl)c1)C[C@H](O)COc1ccc(NS(C)(=O)=O)cc1 |r|
Show InChI InChI=1S/C21H28Cl2N2O4S/c1-3-11-25(12-10-16-4-9-20(22)21(23)13-16)14-18(26)15-29-19-7-5-17(6-8-19)24-30(2,27)28/h4-9,13,18,24,26H,3,10-12,14-15H2,1-2H3/t18-/m0/s1
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n/an/a 130n/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Displacement of [3H]astemizole from human ERG expressed in HEK293 cells


J Med Chem 51: 5506-21 (2008)


Article DOI: 10.1021/jm8002153
BindingDB Entry DOI: 10.7270/Q2PZ59QH
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(RAT)
BDBM50253002
PNG
((S)-1-(4-Methanesulfonamidophenoxy)-3-(N-methyl-3,...)
Show SMILES CN(CCc1ccc(Cl)c(Cl)c1)C[C@H](O)COc1ccc(NS(C)(=O)=O)cc1 |r|
Show InChI InChI=1S/C19H24Cl2N2O4S/c1-23(10-9-14-3-8-18(20)19(21)11-14)12-16(24)13-27-17-6-4-15(5-7-17)22-28(2,25)26/h3-8,11,16,22,24H,9-10,12-13H2,1-2H3/t16-/m0/s1
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n/an/a 130n/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant NR1/NR2B receptor expressed in Xenopus oocytes assessed as inhibition of glutamate and glycine-induced evoked current b...


J Med Chem 51: 5506-21 (2008)


Article DOI: 10.1021/jm8002153
BindingDB Entry DOI: 10.7270/Q2PZ59QH
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(RAT)
BDBM50253120
PNG
((S)-1-(4-Methanesulfonamidophenoxy)-3-(N-(2,4-dihy...)
Show SMILES CS(=O)(=O)Nc1ccc(OC[C@@H](O)CN(CCc2ccc(Cl)c(Cl)c2)Cc2ccc(O)cc2O)cc1 |r|
Show InChI InChI=1S/C25H28Cl2N2O6S/c1-36(33,34)28-19-4-7-22(8-5-19)35-16-21(31)15-29(14-18-3-6-20(30)13-25(18)32)11-10-17-2-9-23(26)24(27)12-17/h2-9,12-13,21,28,30-32H,10-11,14-16H2,1H3/t21-/m0/s1
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n/an/a 146n/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant NR1/NR2B receptor expressed in Xenopus oocytes assessed as inhibition of glutamate and glycine-induced evoked current b...


J Med Chem 51: 5506-21 (2008)


Article DOI: 10.1021/jm8002153
BindingDB Entry DOI: 10.7270/Q2PZ59QH
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM168625
PNG
(US9079852, Table F, Compound 10)
Show SMILES O[C@H](COc1ccc2[nH]c(=S)[nH]c2c1)CN1CCN(CC1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C20H21ClN4O2S/c21-14-1-3-15(4-2-14)25-9-7-24(8-10-25)12-16(26)13-27-17-5-6-18-19(11-17)23-20(28)22-18/h1-6,11,16,26H,7-10,12-13H2/t16-/m0/s1
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n/an/a 150n/an/an/an/an/an/a



Emory University; NeurOp, Inc.

US Patent


Assay Description
Binding to the rat alpha-1 adrenergic receptor in rat brain membranes was determined by displacement of 3[H]-prazosin (P. Greengrass and R. Bremner; ...


US Patent US9079852 (2015)


BindingDB Entry DOI: 10.7270/Q2K35SF5
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2D


(Rattus norvegicus (Rat))
BDBM213888
PNG
(1-thioxo-1,2-dihydro-[1,2,4]triazolo[4,3-a]-quinox...)
Show SMILES Sc1nnc2n1c1ccccc1[nH]c2=O
Show InChI InChI=1S/C9H6N4OS/c14-8-7-11-12-9(15)13(7)6-4-2-1-3-5(6)10-8/h1-4H,(H,10,14)(H,12,15)
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n/an/a 160n/an/an/an/a7.425



University of Copenhagen



Assay Description
Two-electrode voltage clamp (TEVC) recordings were performed on Xenopus oocytes at room temperature 3-6 days postinjection using an OC-725C TEVC ampl...


J Biol Chem 288: 33124-35 (2013)


Article DOI: 10.1074/jbc.M113.480210
BindingDB Entry DOI: 10.7270/Q2MG7NB1
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50253003
PNG
((S)-1-(4-Methanesulfonamidophenoxy)-3-(N-ethyl-3,4...)
Show SMILES CCN(CCc1ccc(Cl)c(Cl)c1)C[C@H](O)COc1ccc(NS(C)(=O)=O)cc1 |r|
Show InChI InChI=1S/C20H26Cl2N2O4S/c1-3-24(11-10-15-4-9-19(21)20(22)12-15)13-17(25)14-28-18-7-5-16(6-8-18)23-29(2,26)27/h4-9,12,17,23,25H,3,10-11,13-14H2,1-2H3/t17-/m0/s1
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n/an/a 170n/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Displacement of [3H]astemizole from human ERG expressed in HEK293 cells


J Med Chem 51: 5506-21 (2008)


Article DOI: 10.1021/jm8002153
BindingDB Entry DOI: 10.7270/Q2PZ59QH
More data for this
Ligand-Target Pair
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