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Compile Data Set for Download or QSAR

Found 20 hits with Last Name = 'aikins' and Initial = 'ja'   
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
Glutamate receptor ionotropic AMPA


(Homo sapiens)
BDBM50112769
PNG
((+/-) Propane-2-sulfonic acid [2-(3,4-difluoro-phe...)
Show SMILES CC(C)S(=O)(=O)N[C@@H]1CCC[C@@H]1c1ccc(F)c(F)c1
Show InChI InChI=1S/C14H19F2NO2S/c1-9(2)20(18,19)17-14-5-3-4-11(14)10-6-7-12(15)13(16)8-10/h6-9,11,14,17H,3-5H2,1-2H3/t11-,14-/m1/s1
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n/an/an/an/a 1.10E+3n/an/an/an/a



NPS Allelix Corporation

Curated by ChEMBL


Assay Description
Potentiation of responses mediated by 100 uM L-glutamate in transfected HEK293 cells expressing human homomeric iGluR4 flip receptors.


J Med Chem 45: 2101-11 (2002)


Article DOI: 10.1021/jm0105474
BindingDB Entry DOI: 10.7270/Q20R9NRB
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic AMPA


(Homo sapiens)
BDBM50112782
PNG
((+/-) Propane-2-sulfonic acid (2-phenyl-cyclopenty...)
Show SMILES CC(C)S(=O)(=O)N[C@H]1CCC[C@@H]1c1ccccc1
Show InChI InChI=1S/C14H21NO2S/c1-11(2)18(16,17)15-14-10-6-9-13(14)12-7-4-3-5-8-12/h3-5,7-8,11,13-15H,6,9-10H2,1-2H3/t13-,14+/m1/s1
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n/an/an/an/a 551n/an/an/an/a



NPS Allelix Corporation

Curated by ChEMBL


Assay Description
Potentiation of responses mediated by 100 uM L-glutamate in transfected HEK293 cells expressing human homomeric iGluR4 flip receptors.


J Med Chem 45: 2101-11 (2002)


Article DOI: 10.1021/jm0105474
BindingDB Entry DOI: 10.7270/Q20R9NRB
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic AMPA


(Homo sapiens)
BDBM50112770
PNG
((+/-) Propane-2-sulfonic acid [2-(4-iodo-phenyl)-c...)
Show SMILES CC(C)S(=O)(=O)N[C@@H]1CCC[C@@H]1c1ccc(I)cc1
Show InChI InChI=1S/C14H20INO2S/c1-10(2)19(17,18)16-14-5-3-4-13(14)11-6-8-12(15)9-7-11/h6-10,13-14,16H,3-5H2,1-2H3/t13-,14-/m1/s1
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n/an/an/an/a 22.6n/an/an/an/a



NPS Allelix Corporation

Curated by ChEMBL


Assay Description
Potentiation of responses mediated by 100 uM L-glutamate in transfected HEK293 cells expressing human homomeric iGluR4 flip receptors.


J Med Chem 45: 2101-11 (2002)


Article DOI: 10.1021/jm0105474
BindingDB Entry DOI: 10.7270/Q20R9NRB
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic AMPA


(Homo sapiens)
BDBM50112772
PNG
((+/-) Propane-2-sulfonic acid [2-(3,5-difluoro-phe...)
Show SMILES CC(C)S(=O)(=O)N[C@@H]1CCC[C@@H]1c1cc(F)cc(F)c1
Show InChI InChI=1S/C14H19F2NO2S/c1-9(2)20(18,19)17-14-5-3-4-13(14)10-6-11(15)8-12(16)7-10/h6-9,13-14,17H,3-5H2,1-2H3/t13-,14-/m1/s1
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n/an/an/an/a 281n/an/an/an/a



NPS Allelix Corporation

Curated by ChEMBL


Assay Description
Potentiation of responses mediated by 100 uM L-glutamate in transfected HEK293 cells expressing human homomeric iGluR4 flip receptors.


J Med Chem 45: 2101-11 (2002)


Article DOI: 10.1021/jm0105474
BindingDB Entry DOI: 10.7270/Q20R9NRB
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic AMPA


(Homo sapiens)
BDBM50112774
PNG
((+/-) Propane-2-sulfonic acid (2-phenyl-cyclopenty...)
Show SMILES CC(C)S(=O)(=O)N[C@@H]1CCC[C@@H]1c1ccccc1
Show InChI InChI=1S/C14H21NO2S/c1-11(2)18(16,17)15-14-10-6-9-13(14)12-7-4-3-5-8-12/h3-5,7-8,11,13-15H,6,9-10H2,1-2H3/t13-,14-/m1/s1
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n/an/an/an/a 1.74E+3n/an/an/an/a



NPS Allelix Corporation

Curated by ChEMBL


Assay Description
Potentiation of responses mediated by 100 uM L-glutamate in transfected HEK293 cells expressing human homomeric iGluR4 flip receptors.


J Med Chem 45: 2101-11 (2002)


Article DOI: 10.1021/jm0105474
BindingDB Entry DOI: 10.7270/Q20R9NRB
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic AMPA


(Homo sapiens)
BDBM50112773
PNG
((+/-3b) N-{4'-[1-Methyl-2-(propane-2-sulfonylamino...)
Show SMILES CC(C)S(=O)(=O)NCC(C)c1ccc(cc1)-c1ccc(NC(=O)c2ccccc2)cc1
Show InChI InChI=1S/C25H28N2O3S/c1-18(2)31(29,30)26-17-19(3)20-9-11-21(12-10-20)22-13-15-24(16-14-22)27-25(28)23-7-5-4-6-8-23/h4-16,18-19,26H,17H2,1-3H3,(H,27,28)
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n/an/an/an/a 520n/an/an/an/a



NPS Allelix Corporation

Curated by ChEMBL


Assay Description
Potentiation of responses mediated by 100 uM L-glutamate in transfected HEK293 cells expressing human homomeric iGluR4 flip receptors.


J Med Chem 45: 2101-11 (2002)


Article DOI: 10.1021/jm0105474
BindingDB Entry DOI: 10.7270/Q20R9NRB
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic AMPA


(Homo sapiens)
BDBM50112771
PNG
((+/-) Propane-2-sulfonic acid [2-(4-bromo-phenyl)-...)
Show SMILES CC(C)S(=O)(=O)N[C@@H]1CCC[C@@H]1c1ccc(Br)cc1
Show InChI InChI=1S/C14H20BrNO2S/c1-10(2)19(17,18)16-14-5-3-4-13(14)11-6-8-12(15)9-7-11/h6-10,13-14,16H,3-5H2,1-2H3/t13-,14-/m1/s1
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n/an/an/an/a 68n/an/an/an/a



NPS Allelix Corporation

Curated by ChEMBL


Assay Description
Potentiation of responses mediated by 100 uM L-glutamate in transfected HEK293 cells expressing human homomeric iGluR4 flip receptors.


J Med Chem 45: 2101-11 (2002)


Article DOI: 10.1021/jm0105474
BindingDB Entry DOI: 10.7270/Q20R9NRB
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic AMPA


(Homo sapiens)
BDBM50112771
PNG
((+/-) Propane-2-sulfonic acid [2-(4-bromo-phenyl)-...)
Show SMILES CC(C)S(=O)(=O)N[C@@H]1CCC[C@@H]1c1ccc(Br)cc1
Show InChI InChI=1S/C14H20BrNO2S/c1-10(2)19(17,18)16-14-5-3-4-13(14)11-6-8-12(15)9-7-11/h6-10,13-14,16H,3-5H2,1-2H3/t13-,14-/m1/s1
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n/an/an/an/a 147n/an/an/an/a



NPS Allelix Corporation

Curated by ChEMBL


Assay Description
Potentiation of responses mediated by 100 uM L-glutamate in transfected HEK293 cells expressing human homomeric iGluR4 flip receptors.


J Med Chem 45: 2101-11 (2002)


Article DOI: 10.1021/jm0105474
BindingDB Entry DOI: 10.7270/Q20R9NRB
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic AMPA


(Homo sapiens)
BDBM50112777
PNG
((+/-) Propane-2-sulfonic acid (2-p-tolyl-cyclopent...)
Show SMILES CC(C)S(=O)(=O)N[C@@H]1CCC[C@@H]1c1ccc(C)cc1
Show InChI InChI=1S/C15H23NO2S/c1-11(2)19(17,18)16-15-6-4-5-14(15)13-9-7-12(3)8-10-13/h7-11,14-16H,4-6H2,1-3H3/t14-,15-/m1/s1
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n/an/an/an/a 434n/an/an/an/a



NPS Allelix Corporation

Curated by ChEMBL


Assay Description
Potentiation of responses mediated by 100 uM L-glutamate in transfected HEK293 cells expressing human homomeric iGluR4 flip receptors.


J Med Chem 45: 2101-11 (2002)


Article DOI: 10.1021/jm0105474
BindingDB Entry DOI: 10.7270/Q20R9NRB
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic AMPA


(Homo sapiens)
BDBM50112775
PNG
((+/-) Propane-2-sulfonic acid [2-(4-chloro-phenyl)...)
Show SMILES CC(C)S(=O)(=O)N[C@@H]1CCC[C@@H]1c1ccc(Cl)cc1
Show InChI InChI=1S/C14H20ClNO2S/c1-10(2)19(17,18)16-14-5-3-4-13(14)11-6-8-12(15)9-7-11/h6-10,13-14,16H,3-5H2,1-2H3/t13-,14-/m1/s1
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n/an/an/an/a 247n/an/an/an/a



NPS Allelix Corporation

Curated by ChEMBL


Assay Description
Potentiation of responses mediated by 100 uM L-glutamate in transfected HEK293 cells expressing human homomeric iGluR4 flip receptors.


J Med Chem 45: 2101-11 (2002)


Article DOI: 10.1021/jm0105474
BindingDB Entry DOI: 10.7270/Q20R9NRB
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic AMPA


(Homo sapiens)
BDBM50112776
PNG
((+/-) Propane-2-sulfonic acid [2-(4-iodo-phenyl)-c...)
Show SMILES CC(C)S(=O)(=O)N[C@H]1CCC[C@@H]1c1ccc(I)cc1
Show InChI InChI=1S/C14H20INO2S/c1-10(2)19(17,18)16-14-5-3-4-13(14)11-6-8-12(15)9-7-11/h6-10,13-14,16H,3-5H2,1-2H3/t13-,14+/m1/s1
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n/an/an/an/a 93.1n/an/an/an/a



NPS Allelix Corporation

Curated by ChEMBL


Assay Description
Potentiation of responses mediated by 100 uM L-glutamate in transfected HEK293 cells expressing human homomeric iGluR4 flip receptors.


J Med Chem 45: 2101-11 (2002)


Article DOI: 10.1021/jm0105474
BindingDB Entry DOI: 10.7270/Q20R9NRB
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic AMPA


(Homo sapiens)
BDBM50112776
PNG
((+/-) Propane-2-sulfonic acid [2-(4-iodo-phenyl)-c...)
Show SMILES CC(C)S(=O)(=O)N[C@H]1CCC[C@@H]1c1ccc(I)cc1
Show InChI InChI=1S/C14H20INO2S/c1-10(2)19(17,18)16-14-5-3-4-13(14)11-6-8-12(15)9-7-11/h6-10,13-14,16H,3-5H2,1-2H3/t13-,14+/m1/s1
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n/an/an/an/a 32.8n/an/an/an/a



NPS Allelix Corporation

Curated by ChEMBL


Assay Description
Potentiation of responses mediated by 100 uM L-glutamate in transfected HEK293 cells expressing human homomeric iGluR4 flip receptors.


J Med Chem 45: 2101-11 (2002)


Article DOI: 10.1021/jm0105474
BindingDB Entry DOI: 10.7270/Q20R9NRB
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic AMPA


(Homo sapiens)
BDBM50112778
PNG
((+/-) Propane-2-sulfonic acid [2-(4-bromo-phenyl)-...)
Show SMILES CC(C)S(=O)(=O)N[C@H]1CCC[C@@H]1c1ccc(Br)cc1
Show InChI InChI=1S/C14H20BrNO2S/c1-10(2)19(17,18)16-14-5-3-4-13(14)11-6-8-12(15)9-7-11/h6-10,13-14,16H,3-5H2,1-2H3/t13-,14+/m1/s1
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n/an/an/an/a 130n/an/an/an/a



NPS Allelix Corporation

Curated by ChEMBL


Assay Description
Potentiation of responses mediated by 100 uM L-glutamate in transfected HEK293 cells expressing human homomeric iGluR4 flip receptors.


J Med Chem 45: 2101-11 (2002)


Article DOI: 10.1021/jm0105474
BindingDB Entry DOI: 10.7270/Q20R9NRB
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic AMPA


(Homo sapiens)
BDBM50112778
PNG
((+/-) Propane-2-sulfonic acid [2-(4-bromo-phenyl)-...)
Show SMILES CC(C)S(=O)(=O)N[C@H]1CCC[C@@H]1c1ccc(Br)cc1
Show InChI InChI=1S/C14H20BrNO2S/c1-10(2)19(17,18)16-14-5-3-4-13(14)11-6-8-12(15)9-7-11/h6-10,13-14,16H,3-5H2,1-2H3/t13-,14+/m1/s1
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n/an/an/an/a 82.1n/an/an/an/a



NPS Allelix Corporation

Curated by ChEMBL


Assay Description
Potentiation of responses mediated by 100 uM L-glutamate in transfected HEK293 cells expressing human homomeric iGluR4 flip receptors.


J Med Chem 45: 2101-11 (2002)


Article DOI: 10.1021/jm0105474
BindingDB Entry DOI: 10.7270/Q20R9NRB
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic AMPA


(Homo sapiens)
BDBM50112781
PNG
((R,R) Propane-2-sulfonic acid [2-(4-cyano-phenyl)-...)
Show SMILES CC(C)S(=O)(=O)N[C@@H]1CCC[C@@H]1c1ccc(cc1)C#N
Show InChI InChI=1S/C15H20N2O2S/c1-11(2)20(18,19)17-15-5-3-4-14(15)13-8-6-12(10-16)7-9-13/h6-9,11,14-15,17H,3-5H2,1-2H3/t14-,15-/m1/s1
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n/an/an/an/a 403n/an/an/an/a



NPS Allelix Corporation

Curated by ChEMBL


Assay Description
Potentiation of responses mediated by 100 uM L-glutamate in transfected HEK293 cells expressing human homomeric iGluR4 flip receptors.


J Med Chem 45: 2101-11 (2002)


Article DOI: 10.1021/jm0105474
BindingDB Entry DOI: 10.7270/Q20R9NRB
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic AMPA


(Homo sapiens)
BDBM50112779
PNG
((+/-) Propane-2-sulfonic acid [2-(4-nitro-phenyl)-...)
Show SMILES CC(C)S(=O)(=O)N[C@@H]1CCC[C@@H]1c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C14H20N2O4S/c1-10(2)21(19,20)15-14-5-3-4-13(14)11-6-8-12(9-7-11)16(17)18/h6-10,13-15H,3-5H2,1-2H3/t13-,14-/m1/s1
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n/an/an/an/a 190n/an/an/an/a



NPS Allelix Corporation

Curated by ChEMBL


Assay Description
Potentiation of responses mediated by 100 uM L-glutamate in transfected HEK293 cells expressing human homomeric iGluR4 flip receptors.


J Med Chem 45: 2101-11 (2002)


Article DOI: 10.1021/jm0105474
BindingDB Entry DOI: 10.7270/Q20R9NRB
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic AMPA


(Homo sapiens)
BDBM50112780
PNG
((+/-) Propane-2-sulfonic acid [2-(3-fluoro-phenyl)...)
Show SMILES CC(C)S(=O)(=O)N[C@@H]1CCC[C@@H]1c1cccc(F)c1
Show InChI InChI=1S/C14H20FNO2S/c1-10(2)19(17,18)16-14-8-4-7-13(14)11-5-3-6-12(15)9-11/h3,5-6,9-10,13-14,16H,4,7-8H2,1-2H3/t13-,14-/m1/s1
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n/an/an/an/a 621n/an/an/an/a



NPS Allelix Corporation

Curated by ChEMBL


Assay Description
Potentiation of responses mediated by 100 uM L-glutamate in transfected HEK293 cells expressing human homomeric iGluR4 flip receptors.


J Med Chem 45: 2101-11 (2002)


Article DOI: 10.1021/jm0105474
BindingDB Entry DOI: 10.7270/Q20R9NRB
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic AMPA


(Homo sapiens)
BDBM50112770
PNG
((+/-) Propane-2-sulfonic acid [2-(4-iodo-phenyl)-c...)
Show SMILES CC(C)S(=O)(=O)N[C@@H]1CCC[C@@H]1c1ccc(I)cc1
Show InChI InChI=1S/C14H20INO2S/c1-10(2)19(17,18)16-14-5-3-4-13(14)11-6-8-12(15)9-7-11/h6-10,13-14,16H,3-5H2,1-2H3/t13-,14-/m1/s1
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n/an/an/an/a 45.8n/an/an/an/a



NPS Allelix Corporation

Curated by ChEMBL


Assay Description
Potentiation of responses mediated by 100 uM L-glutamate in transfected HEK293 cells expressing human homomeric iGluR4 flip receptors.


J Med Chem 45: 2101-11 (2002)


Article DOI: 10.1021/jm0105474
BindingDB Entry DOI: 10.7270/Q20R9NRB
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic AMPA


(Homo sapiens)
BDBM50112772
PNG
((+/-) Propane-2-sulfonic acid [2-(3,5-difluoro-phe...)
Show SMILES CC(C)S(=O)(=O)N[C@@H]1CCC[C@@H]1c1cc(F)cc(F)c1
Show InChI InChI=1S/C14H19F2NO2S/c1-9(2)20(18,19)17-14-5-3-4-13(14)10-6-11(15)8-12(16)7-10/h6-9,13-14,17H,3-5H2,1-2H3/t13-,14-/m1/s1
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n/an/an/an/a 118n/an/an/an/a



NPS Allelix Corporation

Curated by ChEMBL


Assay Description
Potentiation of responses mediated by 100 uM L-glutamate in transfected HEK293 cells expressing human homomeric iGluR4 flip receptors.


J Med Chem 45: 2101-11 (2002)


Article DOI: 10.1021/jm0105474
BindingDB Entry DOI: 10.7270/Q20R9NRB
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic AMPA


(Homo sapiens)
BDBM50094024
PNG
((+/-) Propane-2-sulfonic acid [2-(4'-cyano-bipheny...)
Show SMILES CC(C)S(=O)(=O)NCC(C)c1ccc(cc1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C19H22N2O2S/c1-14(2)24(22,23)21-13-15(3)17-8-10-19(11-9-17)18-6-4-16(12-20)5-7-18/h4-11,14-15,21H,13H2,1-3H3
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n/an/an/an/a 290n/an/an/an/a



NPS Allelix Corporation

Curated by ChEMBL


Assay Description
Potentiation of responses mediated by 100 uM L-glutamate in transfected HEK293 cells expressing human homomeric iGluR4 flip receptors.


J Med Chem 45: 2101-11 (2002)


Article DOI: 10.1021/jm0105474
BindingDB Entry DOI: 10.7270/Q20R9NRB
More data for this
Ligand-Target Pair