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Compile Data Set for Download or QSAR

Found 59 hits with Last Name = 'vierling' and Initial = 'm'   
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, kainate 1


(Homo sapiens (Human))
BDBM50116042
PNG
(CHEMBL63861 | {7-[3-(4-Benzyl-piperazin-1-ylmethyl...)
Show SMILES OC(=O)Cn1c2cc(c(cc2[nH]c(=O)c1=O)[N+]([O-])=O)-n1ccc(CN2CCN(Cc3ccccc3)CC2)c1
Show InChI InChI=1S/C26H26N6O6/c33-24(34)17-31-21-13-22(23(32(37)38)12-20(21)27-25(35)26(31)36)30-7-6-19(16-30)15-29-10-8-28(9-11-29)14-18-4-2-1-3-5-18/h1-7,12-13,16H,8-11,14-15,17H2,(H,27,35)(H,33,34)
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3.80n/an/an/an/an/an/an/an/a



Abbott GmbH & Co. KG

Curated by ChEMBL


Assay Description
Binding affinity towards cloned human GluR5 subunit stably expressed in cultured HEK-293 cells using [3]H-kainate as radioligand


Bioorg Med Chem Lett 12: 2113-6 (2002)


BindingDB Entry DOI: 10.7270/Q22806XK
More data for this
Ligand-Target Pair
Calpain-1 catalytic subunit


(Homo sapiens (Human))
BDBM50128678
PNG
(CHEMBL310855 | N-(1-Carbamoyl-2-phenyl-ethyl)-2-(2...)
Show SMILES NC(=O)C(Cc1ccccc1)NC(=O)c1ccccc1\C=C\c1cccc2ccccc12
Show InChI InChI=1S/C28H24N2O2/c29-27(31)26(19-20-9-2-1-3-10-20)30-28(32)25-16-7-5-12-23(25)18-17-22-14-8-13-21-11-4-6-15-24(21)22/h1-18,26H,19H2,(H2,29,31)(H,30,32)/b18-17+
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8.40n/an/an/an/an/an/an/an/a



Abbott GmbH & Co. KG

Curated by ChEMBL


Assay Description
Inhibitory activity against human Calpain 1 isolated from erythrocytes


J Med Chem 46: 2404-12 (2003)


Article DOI: 10.1021/jm0210717
BindingDB Entry DOI: 10.7270/Q28P5ZVP
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, kainate 1


(Homo sapiens (Human))
BDBM50116048
PNG
(CHEMBL67828 | {6-Nitro-2,3-dioxo-7-[3-(4-phenethyl...)
Show SMILES OC(=O)Cn1c2cc(c(cc2[nH]c(=O)c1=O)[N+]([O-])=O)-n1ccc(CN2CCN(CCc3ccccc3)CC2)c1
Show InChI InChI=1S/C27H28N6O6/c34-25(35)18-32-22-15-23(24(33(38)39)14-21(22)28-26(36)27(32)37)31-9-7-20(17-31)16-30-12-10-29(11-13-30)8-6-19-4-2-1-3-5-19/h1-5,7,9,14-15,17H,6,8,10-13,16,18H2,(H,28,36)(H,34,35)
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12n/an/an/an/an/an/an/an/a



Abbott GmbH & Co. KG

Curated by ChEMBL


Assay Description
Binding affinity towards cloned human GluR5 subunit stably expressed in cultured HEK-293 cells using [3]H-kainate as radioligand


Bioorg Med Chem Lett 12: 2113-6 (2002)


BindingDB Entry DOI: 10.7270/Q22806XK
More data for this
Ligand-Target Pair
Calpain-1 catalytic subunit


(Homo sapiens (Human))
BDBM50128679
PNG
(CHEMBL77784 | N-(1-Carbamoyl-pentyl)-2-[2-(4-dimet...)
Show SMILES CCCCC(NC(=O)c1ccccc1\C=C\c1ccc(CN(C)C)cc1)C(N)=O
Show InChI InChI=1S/C24H31N3O2/c1-4-5-10-22(23(25)28)26-24(29)21-9-7-6-8-20(21)16-15-18-11-13-19(14-12-18)17-27(2)3/h6-9,11-16,22H,4-5,10,17H2,1-3H3,(H2,25,28)(H,26,29)/b16-15+
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13.3n/an/an/an/an/an/an/an/a



Abbott GmbH & Co. KG

Curated by ChEMBL


Assay Description
Inhibitory activity against human Calpain 1 isolated from erythrocytes


J Med Chem 46: 2404-12 (2003)


Article DOI: 10.1021/jm0210717
BindingDB Entry DOI: 10.7270/Q28P5ZVP
More data for this
Ligand-Target Pair
Calpain-1 catalytic subunit


(Homo sapiens (Human))
BDBM50128680
PNG
(CHEMBL80903 | N-(1-Benzyl-2-oxo-ethyl)-2-(2-naphth...)
Show SMILES O=CC(Cc1ccccc1)NC(=O)c1ccccc1\C=C\c1cccc2ccccc12
Show InChI InChI=1S/C28H23NO2/c30-20-25(19-21-9-2-1-3-10-21)29-28(31)27-16-7-5-12-24(27)18-17-23-14-8-13-22-11-4-6-15-26(22)23/h1-18,20,25H,19H2,(H,29,31)/b18-17+
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15n/an/an/an/an/an/an/an/a



Abbott GmbH & Co. KG

Curated by ChEMBL


Assay Description
Inhibitory activity against human Calpain 1 isolated from erythrocytes


J Med Chem 46: 2404-12 (2003)


Article DOI: 10.1021/jm0210717
BindingDB Entry DOI: 10.7270/Q28P5ZVP
More data for this
Ligand-Target Pair
Calpain-1 catalytic subunit


(Homo sapiens (Human))
BDBM50073850
PNG
((S)-2-((S)-2-Benzyloxycarbonylamino-3-methyl-butyr...)
Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C=O |r|
Show InChI InChI=1S/C22H26N2O4/c1-16(2)20(24-22(27)28-15-18-11-7-4-8-12-18)21(26)23-19(14-25)13-17-9-5-3-6-10-17/h3-12,14,16,19-20H,13,15H2,1-2H3,(H,23,26)(H,24,27)/t19?,20-/m0/s1
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15.5n/an/an/an/an/an/an/an/a



Abbott GmbH & Co. KG

Curated by ChEMBL


Assay Description
Inhibitory activity against human Calpain 1 isolated from erythrocytes


J Med Chem 46: 2404-12 (2003)


Article DOI: 10.1021/jm0210717
BindingDB Entry DOI: 10.7270/Q28P5ZVP
More data for this
Ligand-Target Pair
Cathepsin B


(Homo sapiens (Human))
BDBM50073850
PNG
((S)-2-((S)-2-Benzyloxycarbonylamino-3-methyl-butyr...)
Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C=O |r|
Show InChI InChI=1S/C22H26N2O4/c1-16(2)20(24-22(27)28-15-18-11-7-4-8-12-18)21(26)23-19(14-25)13-17-9-5-3-6-10-17/h3-12,14,16,19-20H,13,15H2,1-2H3,(H,23,26)(H,24,27)/t19?,20-/m0/s1
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18n/an/an/an/an/an/an/an/a



Abbott GmbH & Co. KG

Curated by ChEMBL


Assay Description
Inhibition of cathepsin B


J Med Chem 46: 2404-12 (2003)


Article DOI: 10.1021/jm0210717
BindingDB Entry DOI: 10.7270/Q28P5ZVP
More data for this
Ligand-Target Pair
Calpain-1 catalytic subunit


(Homo sapiens (Human))
BDBM50128681
PNG
(CHEMBL80933 | N-(1-Carbamoyl-2-phenyl-ethyl)-2-[2-...)
Show SMILES CN(C)Cc1ccc(\C=C\c2ncccc2C(=O)NC(Cc2ccccc2)C(N)=O)cc1
Show InChI InChI=1S/C26H28N4O2/c1-30(2)18-21-12-10-19(11-13-21)14-15-23-22(9-6-16-28-23)26(32)29-24(25(27)31)17-20-7-4-3-5-8-20/h3-16,24H,17-18H2,1-2H3,(H2,27,31)(H,29,32)/b15-14+
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18.3n/an/an/an/an/an/an/an/a



Abbott GmbH & Co. KG

Curated by ChEMBL


Assay Description
Inhibitory activity against human Calpain 1 isolated from erythrocytes


J Med Chem 46: 2404-12 (2003)


Article DOI: 10.1021/jm0210717
BindingDB Entry DOI: 10.7270/Q28P5ZVP
More data for this
Ligand-Target Pair
Cathepsin B


(Homo sapiens (Human))
BDBM50128679
PNG
(CHEMBL77784 | N-(1-Carbamoyl-pentyl)-2-[2-(4-dimet...)
Show SMILES CCCCC(NC(=O)c1ccccc1\C=C\c1ccc(CN(C)C)cc1)C(N)=O
Show InChI InChI=1S/C24H31N3O2/c1-4-5-10-22(23(25)28)26-24(29)21-9-7-6-8-20(21)16-15-18-11-13-19(14-12-18)17-27(2)3/h6-9,11-16,22H,4-5,10,17H2,1-3H3,(H2,25,28)(H,26,29)/b16-15+
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27n/an/an/an/an/an/an/an/a



Abbott GmbH & Co. KG

Curated by ChEMBL


Assay Description
Inhibition of cathepsin B


J Med Chem 46: 2404-12 (2003)


Article DOI: 10.1021/jm0210717
BindingDB Entry DOI: 10.7270/Q28P5ZVP
More data for this
Ligand-Target Pair
Calpain-1 catalytic subunit


(Homo sapiens (Human))
BDBM50128682
PNG
(CHEMBL80605 | N-(1-Carbamoyl-2-phenyl-ethyl)-2-[2-...)
Show SMILES CCN(CC)Cc1ccc(\C=C\c2ccccc2C(=O)NC(Cc2ccccc2)C(N)=O)cc1
Show InChI InChI=1S/C29H33N3O2/c1-3-32(4-2)21-24-16-14-22(15-17-24)18-19-25-12-8-9-13-26(25)29(34)31-27(28(30)33)20-23-10-6-5-7-11-23/h5-19,27H,3-4,20-21H2,1-2H3,(H2,30,33)(H,31,34)/b19-18+
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27n/an/an/an/an/an/an/an/a



Abbott GmbH & Co. KG

Curated by ChEMBL


Assay Description
Inhibitory activity against human Calpain 1 isolated from erythrocytes


J Med Chem 46: 2404-12 (2003)


Article DOI: 10.1021/jm0210717
BindingDB Entry DOI: 10.7270/Q28P5ZVP
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, kainate 3


(Homo sapiens (Human))
BDBM50116040
PNG
((7-{3-[3-(4-Nitro-phenyl)-ureidomethyl]-pyrrol-1-y...)
Show SMILES OC(=O)Cn1c2cc(c(cc2[nH]c(=O)c1=O)C(F)(F)F)-n1ccc(CNC(=O)Nc2ccc(cc2)[N+]([O-])=O)c1
Show InChI InChI=1S/C23H17F3N6O7/c24-23(25,26)15-7-16-18(31(11-19(33)34)21(36)20(35)29-16)8-17(15)30-6-5-12(10-30)9-27-22(37)28-13-1-3-14(4-2-13)32(38)39/h1-8,10H,9,11H2,(H,29,35)(H,33,34)(H2,27,28,37)
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46n/an/an/an/an/an/an/an/a



Abbott GmbH & Co. KG

Curated by ChEMBL


Assay Description
Binding affinity towards cloned human GluR7 subunit stably expressed in cultured HEK-293 cells using [3]H-kainate as radioligand


Bioorg Med Chem Lett 12: 2113-6 (2002)


BindingDB Entry DOI: 10.7270/Q22806XK
More data for this
Ligand-Target Pair
Cathepsin B


(Homo sapiens (Human))
BDBM50128682
PNG
(CHEMBL80605 | N-(1-Carbamoyl-2-phenyl-ethyl)-2-[2-...)
Show SMILES CCN(CC)Cc1ccc(\C=C\c2ccccc2C(=O)NC(Cc2ccccc2)C(N)=O)cc1
Show InChI InChI=1S/C29H33N3O2/c1-3-32(4-2)21-24-16-14-22(15-17-24)18-19-25-12-8-9-13-26(25)29(34)31-27(28(30)33)20-23-10-6-5-7-11-23/h5-19,27H,3-4,20-21H2,1-2H3,(H2,30,33)(H,31,34)/b19-18+
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62n/an/an/an/an/an/an/an/a



Abbott GmbH & Co. KG

Curated by ChEMBL


Assay Description
Inhibition of cathepsin B


J Med Chem 46: 2404-12 (2003)


Article DOI: 10.1021/jm0210717
BindingDB Entry DOI: 10.7270/Q28P5ZVP
More data for this
Ligand-Target Pair
Cathepsin B


(Homo sapiens (Human))
BDBM50128681
PNG
(CHEMBL80933 | N-(1-Carbamoyl-2-phenyl-ethyl)-2-[2-...)
Show SMILES CN(C)Cc1ccc(\C=C\c2ncccc2C(=O)NC(Cc2ccccc2)C(N)=O)cc1
Show InChI InChI=1S/C26H28N4O2/c1-30(2)18-21-12-10-19(11-13-21)14-15-23-22(9-6-16-28-23)26(32)29-24(25(27)31)17-20-7-4-3-5-8-20/h3-16,24H,17-18H2,1-2H3,(H2,27,31)(H,29,32)/b15-14+
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83n/an/an/an/an/an/an/an/a



Abbott GmbH & Co. KG

Curated by ChEMBL


Assay Description
Inhibition of cathepsin B


J Med Chem 46: 2404-12 (2003)


Article DOI: 10.1021/jm0210717
BindingDB Entry DOI: 10.7270/Q28P5ZVP
More data for this
Ligand-Target Pair
Cathepsin B


(Homo sapiens (Human))
BDBM50128678
PNG
(CHEMBL310855 | N-(1-Carbamoyl-2-phenyl-ethyl)-2-(2...)
Show SMILES NC(=O)C(Cc1ccccc1)NC(=O)c1ccccc1\C=C\c1cccc2ccccc12
Show InChI InChI=1S/C28H24N2O2/c29-27(31)26(19-20-9-2-1-3-10-20)30-28(32)25-16-7-5-12-23(25)18-17-22-14-8-13-21-11-4-6-15-24(21)22/h1-18,26H,19H2,(H2,29,31)(H,30,32)/b18-17+
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99n/an/an/an/an/an/an/an/a



Abbott GmbH & Co. KG

Curated by ChEMBL


Assay Description
Inhibition of cathepsin B


J Med Chem 46: 2404-12 (2003)


Article DOI: 10.1021/jm0210717
BindingDB Entry DOI: 10.7270/Q28P5ZVP
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, kainate 1


(Homo sapiens (Human))
BDBM50116040
PNG
((7-{3-[3-(4-Nitro-phenyl)-ureidomethyl]-pyrrol-1-y...)
Show SMILES OC(=O)Cn1c2cc(c(cc2[nH]c(=O)c1=O)C(F)(F)F)-n1ccc(CNC(=O)Nc2ccc(cc2)[N+]([O-])=O)c1
Show InChI InChI=1S/C23H17F3N6O7/c24-23(25,26)15-7-16-18(31(11-19(33)34)21(36)20(35)29-16)8-17(15)30-6-5-12(10-30)9-27-22(37)28-13-1-3-14(4-2-13)32(38)39/h1-8,10H,9,11H2,(H,29,35)(H,33,34)(H2,27,28,37)
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100n/an/an/an/an/an/an/an/a



Abbott GmbH & Co. KG

Curated by ChEMBL


Assay Description
Binding affinity towards cloned human GluR5 subunit stably expressed in cultured HEK-293 cells using [3]H-kainate as radioligand


Bioorg Med Chem Lett 12: 2113-6 (2002)


BindingDB Entry DOI: 10.7270/Q22806XK
More data for this
Ligand-Target Pair
Calpain-1 catalytic subunit


(Homo sapiens (Human))
BDBM50112839
PNG
(CHEMBL26631 | N-(1-Benzyl-2-oxo-ethyl)-2-styryl-be...)
Show SMILES O=CC(Cc1ccccc1)NC(=O)c1ccccc1\C=C\c1ccccc1
Show InChI InChI=1S/C24H21NO2/c26-18-22(17-20-11-5-2-6-12-20)25-24(27)23-14-8-7-13-21(23)16-15-19-9-3-1-4-10-19/h1-16,18,22H,17H2,(H,25,27)/b16-15+
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140n/an/an/an/an/an/an/an/a



Abbott GmbH & Co. KG

Curated by ChEMBL


Assay Description
Inhibitory activity against human Calpain 1 isolated from erythrocytes


J Med Chem 46: 2404-12 (2003)


Article DOI: 10.1021/jm0210717
BindingDB Entry DOI: 10.7270/Q28P5ZVP
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, kainate 1


(Homo sapiens (Human))
BDBM50116046
PNG
(CHEMBL12465 | [7-(3-Aminomethyl-pyrrol-1-yl)-6-nit...)
Show SMILES NCc1ccn(c1)-c1cc2n(CC(O)=O)c(=O)c(=O)[nH]c2cc1[N+]([O-])=O
Show InChI InChI=1S/C15H13N5O6/c16-5-8-1-2-18(6-8)11-4-10-9(3-12(11)20(25)26)17-14(23)15(24)19(10)7-13(21)22/h1-4,6H,5,7,16H2,(H,17,23)(H,21,22)
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230n/an/an/an/an/an/an/an/a



Abbott GmbH & Co. KG

Curated by ChEMBL


Assay Description
Binding affinity towards cloned human GluR5 subunit stably expressed in cultured HEK-293 cells using [3]H-kainate as radioligand


Bioorg Med Chem Lett 12: 2113-6 (2002)


BindingDB Entry DOI: 10.7270/Q22806XK
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, kainate 1


(Homo sapiens (Human))
BDBM50116044
PNG
(CHEMBL416685 | {6-Nitro-2,3-dioxo-7-[3-(4-phenyl-p...)
Show SMILES OC(=O)Cn1c2cc(c(cc2[nH]c(=O)c1=O)[N+]([O-])=O)-n1ccc(CN2CCC(CC2)c2ccccc2)c1
Show InChI InChI=1S/C26H25N5O6/c32-24(33)16-30-21-13-22(23(31(36)37)12-20(21)27-25(34)26(30)35)29-11-6-17(15-29)14-28-9-7-19(8-10-28)18-4-2-1-3-5-18/h1-6,11-13,15,19H,7-10,14,16H2,(H,27,34)(H,32,33)
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230n/an/an/an/an/an/an/an/a



Abbott GmbH & Co. KG

Curated by ChEMBL


Assay Description
Binding affinity towards cloned human GluR5 subunit stably expressed in cultured HEK-293 cells using [3]H-kainate as radioligand


Bioorg Med Chem Lett 12: 2113-6 (2002)


BindingDB Entry DOI: 10.7270/Q22806XK
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, kainate 1


(Homo sapiens (Human))
BDBM50116047
PNG
((6-Nitro-2,3-dioxo-7-{3-[(3-phenyl-propylamino)-me...)
Show SMILES OC(=O)Cn1c2cc(c(cc2[nH]c(=O)c1=O)[N+]([O-])=O)-n1ccc(CNCCCc2ccccc2)c1
Show InChI InChI=1S/C24H23N5O6/c30-22(31)15-28-19-12-20(21(29(34)35)11-18(19)26-23(32)24(28)33)27-10-8-17(14-27)13-25-9-4-7-16-5-2-1-3-6-16/h1-3,5-6,8,10-12,14,25H,4,7,9,13,15H2,(H,26,32)(H,30,31)
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320n/an/an/an/an/an/an/an/a



Abbott GmbH & Co. KG

Curated by ChEMBL


Assay Description
Binding affinity towards cloned human GluR5 subunit stably expressed in cultured HEK-293 cells using [3]H-kainate as radioligand


Bioorg Med Chem Lett 12: 2113-6 (2002)


BindingDB Entry DOI: 10.7270/Q22806XK
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, kainate 1


(Homo sapiens (Human))
BDBM50116041
PNG
(CHEMBL303415 | [6-Nitro-2,3-dioxo-7-(3-piperidin-1...)
Show SMILES OC(=O)Cn1c2cc(c(cc2[nH]c(=O)c1=O)[N+]([O-])=O)-n1ccc(CN2CCCCC2)c1
Show InChI InChI=1S/C20H21N5O6/c26-18(27)12-24-15-9-16(17(25(30)31)8-14(15)21-19(28)20(24)29)23-7-4-13(11-23)10-22-5-2-1-3-6-22/h4,7-9,11H,1-3,5-6,10,12H2,(H,21,28)(H,26,27)
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330n/an/an/an/an/an/an/an/a



Abbott GmbH & Co. KG

Curated by ChEMBL


Assay Description
Binding affinity towards cloned human GluR5 subunit stably expressed in cultured HEK-293 cells using [3]H-kainate as radioligand


Bioorg Med Chem Lett 12: 2113-6 (2002)


BindingDB Entry DOI: 10.7270/Q22806XK
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, kainate 1


(Homo sapiens (Human))
BDBM50116045
PNG
(3-(7-{3-[(Benzyl-methyl-amino)-methyl]-pyrrol-1-yl...)
Show SMILES CN(Cc1ccn(c1)-c1cc2n(CCC(O)=O)c(=O)c(=O)[nH]c2cc1[N+]([O-])=O)Cc1ccccc1
Show InChI InChI=1S/C24H23N5O6/c1-26(13-16-5-3-2-4-6-16)14-17-7-9-27(15-17)20-12-19-18(11-21(20)29(34)35)25-23(32)24(33)28(19)10-8-22(30)31/h2-7,9,11-12,15H,8,10,13-14H2,1H3,(H,25,32)(H,30,31)
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430n/an/an/an/an/an/an/an/a



Abbott GmbH & Co. KG

Curated by ChEMBL


Assay Description
Binding affinity towards cloned human GluR5 subunit stably expressed in cultured HEK-293 cells using [3]H-kainate as radioligand


Bioorg Med Chem Lett 12: 2113-6 (2002)


BindingDB Entry DOI: 10.7270/Q22806XK
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, kainate 1


(Homo sapiens (Human))
BDBM50116049
PNG
((6-Nitro-2,3-dioxo-7-pyrrol-1-yl-3,4-dihydro-2H-qu...)
Show SMILES OC(=O)Cn1c2cc(c(cc2[nH]c(=O)c1=O)[N+]([O-])=O)-n1cccc1
Show InChI InChI=1S/C14H10N4O6/c19-12(20)7-17-9-6-10(16-3-1-2-4-16)11(18(23)24)5-8(9)15-13(21)14(17)22/h1-6H,7H2,(H,15,21)(H,19,20)
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530n/an/an/an/an/an/an/an/a



Abbott GmbH & Co. KG

Curated by ChEMBL


Assay Description
Binding affinity towards cloned human GluR5 subunit stably expressed in cultured HEK-293 cells using [3]H-kainate as radioligand


Bioorg Med Chem Lett 12: 2113-6 (2002)


BindingDB Entry DOI: 10.7270/Q22806XK
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, kainate 3


(Homo sapiens (Human))
BDBM50116044
PNG
(CHEMBL416685 | {6-Nitro-2,3-dioxo-7-[3-(4-phenyl-p...)
Show SMILES OC(=O)Cn1c2cc(c(cc2[nH]c(=O)c1=O)[N+]([O-])=O)-n1ccc(CN2CCC(CC2)c2ccccc2)c1
Show InChI InChI=1S/C26H25N5O6/c32-24(33)16-30-21-13-22(23(31(36)37)12-20(21)27-25(34)26(30)35)29-11-6-17(15-29)14-28-9-7-19(8-10-28)18-4-2-1-3-5-18/h1-6,11-13,15,19H,7-10,14,16H2,(H,27,34)(H,32,33)
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530n/an/an/an/an/an/an/an/a



Abbott GmbH & Co. KG

Curated by ChEMBL


Assay Description
Binding affinity towards cloned human GluR7 subunit stably expressed in cultured HEK-293 cells using [3]H-kainate as radioligand


Bioorg Med Chem Lett 12: 2113-6 (2002)


BindingDB Entry DOI: 10.7270/Q22806XK
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, kainate 2


(Homo sapiens (Human))
BDBM50116040
PNG
((7-{3-[3-(4-Nitro-phenyl)-ureidomethyl]-pyrrol-1-y...)
Show SMILES OC(=O)Cn1c2cc(c(cc2[nH]c(=O)c1=O)C(F)(F)F)-n1ccc(CNC(=O)Nc2ccc(cc2)[N+]([O-])=O)c1
Show InChI InChI=1S/C23H17F3N6O7/c24-23(25,26)15-7-16-18(31(11-19(33)34)21(36)20(35)29-16)8-17(15)30-6-5-12(10-30)9-27-22(37)28-13-1-3-14(4-2-13)32(38)39/h1-8,10H,9,11H2,(H,29,35)(H,33,34)(H2,27,28,37)
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610n/an/an/an/an/an/an/an/a



Abbott GmbH & Co. KG

Curated by ChEMBL


Assay Description
Binding affinity for human GluR6 expressed in HEK-293 cells using [3]H-kainate


Bioorg Med Chem Lett 12: 2113-6 (2002)


BindingDB Entry DOI: 10.7270/Q22806XK
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, kainate 3


(Homo sapiens (Human))
BDBM50116042
PNG
(CHEMBL63861 | {7-[3-(4-Benzyl-piperazin-1-ylmethyl...)
Show SMILES OC(=O)Cn1c2cc(c(cc2[nH]c(=O)c1=O)[N+]([O-])=O)-n1ccc(CN2CCN(Cc3ccccc3)CC2)c1
Show InChI InChI=1S/C26H26N6O6/c33-24(34)17-31-21-13-22(23(32(37)38)12-20(21)27-25(35)26(31)36)30-7-6-19(16-30)15-29-10-8-28(9-11-29)14-18-4-2-1-3-5-18/h1-7,12-13,16H,8-11,14-15,17H2,(H,27,35)(H,33,34)
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680n/an/an/an/an/an/an/an/a



Abbott GmbH & Co. KG

Curated by ChEMBL


Assay Description
Binding affinity towards cloned human GluR7 subunit stably expressed in cultured HEK-293 cells using [3]H-kainate as radioligand


Bioorg Med Chem Lett 12: 2113-6 (2002)


BindingDB Entry DOI: 10.7270/Q22806XK
More data for this
Ligand-Target Pair
Calpain-1 catalytic subunit


(Homo sapiens (Human))
BDBM50112838
PNG
(CHEMBL281874 | N-(1-Benzyl-2-oxo-ethyl)-benzamide)
Show SMILES O=CC(Cc1ccccc1)NC(=O)c1ccccc1
Show InChI InChI=1S/C16H15NO2/c18-12-15(11-13-7-3-1-4-8-13)17-16(19)14-9-5-2-6-10-14/h1-10,12,15H,11H2,(H,17,19)
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Article
PubMed
1.08E+3n/an/an/an/an/an/an/an/a



Abbott GmbH & Co. KG

Curated by ChEMBL


Assay Description
Inhibitory activity against human Calpain 1 isolated from erythrocytes


J Med Chem 46: 2404-12 (2003)


Article DOI: 10.1021/jm0210717
BindingDB Entry DOI: 10.7270/Q28P5ZVP
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, kainate 2


(Homo sapiens (Human))
BDBM50116043
PNG
(3-(6-Nitro-2,3-dioxo-7-pyrrol-1-yl-3,4-dihydro-2H-...)
Show SMILES OC(=O)CCn1c2cc(c(cc2[nH]c(=O)c1=O)[N+]([O-])=O)-n1cccc1
Show InChI InChI=1S/C15H12N4O6/c20-13(21)3-6-18-10-8-11(17-4-1-2-5-17)12(19(24)25)7-9(10)16-14(22)15(18)23/h1-2,4-5,7-8H,3,6H2,(H,16,22)(H,20,21)
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1.20E+3n/an/an/an/an/an/an/an/a



Abbott GmbH & Co. KG

Curated by ChEMBL


Assay Description
Binding affinity for human GluR6 expressed in HEK-293 cells using [3]H-kainate


Bioorg Med Chem Lett 12: 2113-6 (2002)


BindingDB Entry DOI: 10.7270/Q22806XK
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, kainate 5


(Homo sapiens (Human))
BDBM50116049
PNG
((6-Nitro-2,3-dioxo-7-pyrrol-1-yl-3,4-dihydro-2H-qu...)
Show SMILES OC(=O)Cn1c2cc(c(cc2[nH]c(=O)c1=O)[N+]([O-])=O)-n1cccc1
Show InChI InChI=1S/C14H10N4O6/c19-12(20)7-17-9-6-10(16-3-1-2-4-16)11(18(23)24)5-8(9)15-13(21)14(17)22/h1-6H,7H2,(H,15,21)(H,19,20)
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1.30E+3n/an/an/an/an/an/an/an/a



Abbott GmbH & Co. KG

Curated by ChEMBL


Assay Description
Binding affinity towards cloned human Kai-2 subunit stably expressed in cultured HEK-293 cells using [3]H-kainate as radioligand


Bioorg Med Chem Lett 12: 2113-6 (2002)


BindingDB Entry DOI: 10.7270/Q22806XK
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, kainate 2


(Homo sapiens (Human))
BDBM50116048
PNG
(CHEMBL67828 | {6-Nitro-2,3-dioxo-7-[3-(4-phenethyl...)
Show SMILES OC(=O)Cn1c2cc(c(cc2[nH]c(=O)c1=O)[N+]([O-])=O)-n1ccc(CN2CCN(CCc3ccccc3)CC2)c1
Show InChI InChI=1S/C27H28N6O6/c34-25(35)18-32-22-15-23(24(33(38)39)14-21(22)28-26(36)27(32)37)31-9-7-20(17-31)16-30-12-10-29(11-13-30)8-6-19-4-2-1-3-5-19/h1-5,7,9,14-15,17H,6,8,10-13,16,18H2,(H,28,36)(H,34,35)
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1.40E+3n/an/an/an/an/an/an/an/a



Abbott GmbH & Co. KG

Curated by ChEMBL


Assay Description
Binding affinity for human GluR6 expressed in HEK-293 cells using [3]H-kainate


Bioorg Med Chem Lett 12: 2113-6 (2002)


BindingDB Entry DOI: 10.7270/Q22806XK
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, kainate 1


(Homo sapiens (Human))
BDBM50116050
PNG
(1-(4-Carboxymethyl-7-nitro-2,3-dioxo-1,2,3,4-tetra...)
Show SMILES OC(=O)Cn1c2cc(c(cc2[nH]c(=O)c1=O)[N+]([O-])=O)-n1ccc(c1)C(O)=O
Show InChI InChI=1S/C15H10N4O8/c20-12(21)6-18-9-4-10(17-2-1-7(5-17)15(24)25)11(19(26)27)3-8(9)16-13(22)14(18)23/h1-5H,6H2,(H,16,22)(H,20,21)(H,24,25)
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1.40E+3n/an/an/an/an/an/an/an/a



Abbott GmbH & Co. KG

Curated by ChEMBL


Assay Description
Binding affinity towards cloned human GluR5 subunit stably expressed in cultured HEK-293 cells using [3]H-kainate as radioligand


Bioorg Med Chem Lett 12: 2113-6 (2002)


BindingDB Entry DOI: 10.7270/Q22806XK
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, kainate 3


(Homo sapiens (Human))
BDBM50116047
PNG
((6-Nitro-2,3-dioxo-7-{3-[(3-phenyl-propylamino)-me...)
Show SMILES OC(=O)Cn1c2cc(c(cc2[nH]c(=O)c1=O)[N+]([O-])=O)-n1ccc(CNCCCc2ccccc2)c1
Show InChI InChI=1S/C24H23N5O6/c30-22(31)15-28-19-12-20(21(29(34)35)11-18(19)26-23(32)24(28)33)27-10-8-17(14-27)13-25-9-4-7-16-5-2-1-3-6-16/h1-3,5-6,8,10-12,14,25H,4,7,9,13,15H2,(H,26,32)(H,30,31)
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1.40E+3n/an/an/an/an/an/an/an/a



Abbott GmbH & Co. KG

Curated by ChEMBL


Assay Description
Binding affinity towards cloned human GluR7 subunit stably expressed in cultured HEK-293 cells using [3]H-kainate as radioligand


Bioorg Med Chem Lett 12: 2113-6 (2002)


BindingDB Entry DOI: 10.7270/Q22806XK
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, kainate 3


(Homo sapiens (Human))
BDBM50116048
PNG
(CHEMBL67828 | {6-Nitro-2,3-dioxo-7-[3-(4-phenethyl...)
Show SMILES OC(=O)Cn1c2cc(c(cc2[nH]c(=O)c1=O)[N+]([O-])=O)-n1ccc(CN2CCN(CCc3ccccc3)CC2)c1
Show InChI InChI=1S/C27H28N6O6/c34-25(35)18-32-22-15-23(24(33(38)39)14-21(22)28-26(36)27(32)37)31-9-7-20(17-31)16-30-12-10-29(11-13-30)8-6-19-4-2-1-3-5-19/h1-5,7,9,14-15,17H,6,8,10-13,16,18H2,(H,28,36)(H,34,35)
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1.40E+3n/an/an/an/an/an/an/an/a



Abbott GmbH & Co. KG

Curated by ChEMBL


Assay Description
Binding affinity towards cloned human GluR7 subunit stably expressed in cultured HEK-293 cells using [3]H-kainate as radioligand


Bioorg Med Chem Lett 12: 2113-6 (2002)


BindingDB Entry DOI: 10.7270/Q22806XK
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, kainate 2


(Homo sapiens (Human))
BDBM50116046
PNG
(CHEMBL12465 | [7-(3-Aminomethyl-pyrrol-1-yl)-6-nit...)
Show SMILES NCc1ccn(c1)-c1cc2n(CC(O)=O)c(=O)c(=O)[nH]c2cc1[N+]([O-])=O
Show InChI InChI=1S/C15H13N5O6/c16-5-8-1-2-18(6-8)11-4-10-9(3-12(11)20(25)26)17-14(23)15(24)19(10)7-13(21)22/h1-4,6H,5,7,16H2,(H,17,23)(H,21,22)
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1.50E+3n/an/an/an/an/an/an/an/a



Abbott GmbH & Co. KG

Curated by ChEMBL


Assay Description
Binding affinity for human GluR6 expressed in HEK-293 cells using [3]H-kainate


Bioorg Med Chem Lett 12: 2113-6 (2002)


BindingDB Entry DOI: 10.7270/Q22806XK
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, kainate 1


(Homo sapiens (Human))
BDBM50116043
PNG
(3-(6-Nitro-2,3-dioxo-7-pyrrol-1-yl-3,4-dihydro-2H-...)
Show SMILES OC(=O)CCn1c2cc(c(cc2[nH]c(=O)c1=O)[N+]([O-])=O)-n1cccc1
Show InChI InChI=1S/C15H12N4O6/c20-13(21)3-6-18-10-8-11(17-4-1-2-5-17)12(19(24)25)7-9(10)16-14(22)15(18)23/h1-2,4-5,7-8H,3,6H2,(H,16,22)(H,20,21)
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2.40E+3n/an/an/an/an/an/an/an/a



Abbott GmbH & Co. KG

Curated by ChEMBL


Assay Description
Binding affinity towards cloned human GluR5 subunit stably expressed in cultured HEK-293 cells using [3]H-kainate as radioligand


Bioorg Med Chem Lett 12: 2113-6 (2002)


BindingDB Entry DOI: 10.7270/Q22806XK
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, kainate 3


(Homo sapiens (Human))
BDBM50116043
PNG
(3-(6-Nitro-2,3-dioxo-7-pyrrol-1-yl-3,4-dihydro-2H-...)
Show SMILES OC(=O)CCn1c2cc(c(cc2[nH]c(=O)c1=O)[N+]([O-])=O)-n1cccc1
Show InChI InChI=1S/C15H12N4O6/c20-13(21)3-6-18-10-8-11(17-4-1-2-5-17)12(19(24)25)7-9(10)16-14(22)15(18)23/h1-2,4-5,7-8H,3,6H2,(H,16,22)(H,20,21)
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2.50E+3n/an/an/an/an/an/an/an/a



Abbott GmbH & Co. KG

Curated by ChEMBL


Assay Description
Binding affinity towards cloned human GluR7 subunit stably expressed in cultured HEK-293 cells using [3]H-kainate as radioligand


Bioorg Med Chem Lett 12: 2113-6 (2002)


BindingDB Entry DOI: 10.7270/Q22806XK
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, kainate 2


(Homo sapiens (Human))
BDBM50116044
PNG
(CHEMBL416685 | {6-Nitro-2,3-dioxo-7-[3-(4-phenyl-p...)
Show SMILES OC(=O)Cn1c2cc(c(cc2[nH]c(=O)c1=O)[N+]([O-])=O)-n1ccc(CN2CCC(CC2)c2ccccc2)c1
Show InChI InChI=1S/C26H25N5O6/c32-24(33)16-30-21-13-22(23(31(36)37)12-20(21)27-25(34)26(30)35)29-11-6-17(15-29)14-28-9-7-19(8-10-28)18-4-2-1-3-5-18/h1-6,11-13,15,19H,7-10,14,16H2,(H,27,34)(H,32,33)
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3.60E+3n/an/an/an/an/an/an/an/a



Abbott GmbH & Co. KG

Curated by ChEMBL


Assay Description
Binding affinity for human GluR6 expressed in HEK-293 cells using [3]H-kainate


Bioorg Med Chem Lett 12: 2113-6 (2002)


BindingDB Entry DOI: 10.7270/Q22806XK
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, kainate 2


(Homo sapiens (Human))
BDBM50116049
PNG
((6-Nitro-2,3-dioxo-7-pyrrol-1-yl-3,4-dihydro-2H-qu...)
Show SMILES OC(=O)Cn1c2cc(c(cc2[nH]c(=O)c1=O)[N+]([O-])=O)-n1cccc1
Show InChI InChI=1S/C14H10N4O6/c19-12(20)7-17-9-6-10(16-3-1-2-4-16)11(18(23)24)5-8(9)15-13(21)14(17)22/h1-6H,7H2,(H,15,21)(H,19,20)
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3.90E+3n/an/an/an/an/an/an/an/a



Abbott GmbH & Co. KG

Curated by ChEMBL


Assay Description
Binding affinity for human GluR6 expressed in HEK-293 cells using [3]H-kainate


Bioorg Med Chem Lett 12: 2113-6 (2002)


BindingDB Entry DOI: 10.7270/Q22806XK
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, kainate 2


(Homo sapiens (Human))
BDBM50116042
PNG
(CHEMBL63861 | {7-[3-(4-Benzyl-piperazin-1-ylmethyl...)
Show SMILES OC(=O)Cn1c2cc(c(cc2[nH]c(=O)c1=O)[N+]([O-])=O)-n1ccc(CN2CCN(Cc3ccccc3)CC2)c1
Show InChI InChI=1S/C26H26N6O6/c33-24(34)17-31-21-13-22(23(32(37)38)12-20(21)27-25(35)26(31)36)30-7-6-19(16-30)15-29-10-8-28(9-11-29)14-18-4-2-1-3-5-18/h1-7,12-13,16H,8-11,14-15,17H2,(H,27,35)(H,33,34)
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4.10E+3n/an/an/an/an/an/an/an/a



Abbott GmbH & Co. KG

Curated by ChEMBL


Assay Description
Binding affinity for human GluR6 expressed in HEK-293 cells using [3]H-kainate


Bioorg Med Chem Lett 12: 2113-6 (2002)


BindingDB Entry DOI: 10.7270/Q22806XK
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, kainate 3


(Homo sapiens (Human))
BDBM50116050
PNG
(1-(4-Carboxymethyl-7-nitro-2,3-dioxo-1,2,3,4-tetra...)
Show SMILES OC(=O)Cn1c2cc(c(cc2[nH]c(=O)c1=O)[N+]([O-])=O)-n1ccc(c1)C(O)=O
Show InChI InChI=1S/C15H10N4O8/c20-12(21)6-18-9-4-10(17-2-1-7(5-17)15(24)25)11(19(26)27)3-8(9)16-13(22)14(18)23/h1-5H,6H2,(H,16,22)(H,20,21)(H,24,25)
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4.10E+3n/an/an/an/an/an/an/an/a



Abbott GmbH & Co. KG

Curated by ChEMBL


Assay Description
Binding affinity towards cloned human GluR7 subunit stably expressed in cultured HEK-293 cells using [3]H-kainate as radioligand


Bioorg Med Chem Lett 12: 2113-6 (2002)


BindingDB Entry DOI: 10.7270/Q22806XK
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, kainate 3


(Homo sapiens (Human))
BDBM50116041
PNG
(CHEMBL303415 | [6-Nitro-2,3-dioxo-7-(3-piperidin-1...)
Show SMILES OC(=O)Cn1c2cc(c(cc2[nH]c(=O)c1=O)[N+]([O-])=O)-n1ccc(CN2CCCCC2)c1
Show InChI InChI=1S/C20H21N5O6/c26-18(27)12-24-15-9-16(17(25(30)31)8-14(15)21-19(28)20(24)29)23-7-4-13(11-23)10-22-5-2-1-3-6-22/h4,7-9,11H,1-3,5-6,10,12H2,(H,21,28)(H,26,27)
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5.70E+3n/an/an/an/an/an/an/an/a



Abbott GmbH & Co. KG

Curated by ChEMBL


Assay Description
Binding affinity towards cloned human GluR7 subunit stably expressed in cultured HEK-293 cells using [3]H-kainate as radioligand


Bioorg Med Chem Lett 12: 2113-6 (2002)


BindingDB Entry DOI: 10.7270/Q22806XK
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, kainate 2


(Homo sapiens (Human))
BDBM50116050
PNG
(1-(4-Carboxymethyl-7-nitro-2,3-dioxo-1,2,3,4-tetra...)
Show SMILES OC(=O)Cn1c2cc(c(cc2[nH]c(=O)c1=O)[N+]([O-])=O)-n1ccc(c1)C(O)=O
Show InChI InChI=1S/C15H10N4O8/c20-12(21)6-18-9-4-10(17-2-1-7(5-17)15(24)25)11(19(26)27)3-8(9)16-13(22)14(18)23/h1-5H,6H2,(H,16,22)(H,20,21)(H,24,25)
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5.80E+3n/an/an/an/an/an/an/an/a



Abbott GmbH & Co. KG

Curated by ChEMBL


Assay Description
Binding affinity for human GluR6 expressed in HEK-293 cells using [3]H-kainate


Bioorg Med Chem Lett 12: 2113-6 (2002)


BindingDB Entry DOI: 10.7270/Q22806XK
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, kainate 2


(Homo sapiens (Human))
BDBM50116047
PNG
((6-Nitro-2,3-dioxo-7-{3-[(3-phenyl-propylamino)-me...)
Show SMILES OC(=O)Cn1c2cc(c(cc2[nH]c(=O)c1=O)[N+]([O-])=O)-n1ccc(CNCCCc2ccccc2)c1
Show InChI InChI=1S/C24H23N5O6/c30-22(31)15-28-19-12-20(21(29(34)35)11-18(19)26-23(32)24(28)33)27-10-8-17(14-27)13-25-9-4-7-16-5-2-1-3-6-16/h1-3,5-6,8,10-12,14,25H,4,7,9,13,15H2,(H,26,32)(H,30,31)
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6.20E+3n/an/an/an/an/an/an/an/a



Abbott GmbH & Co. KG

Curated by ChEMBL


Assay Description
Binding affinity for human GluR6 expressed in HEK-293 cells using [3]H-kainate


Bioorg Med Chem Lett 12: 2113-6 (2002)


BindingDB Entry DOI: 10.7270/Q22806XK
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, kainate 5


(Homo sapiens (Human))
BDBM50116046
PNG
(CHEMBL12465 | [7-(3-Aminomethyl-pyrrol-1-yl)-6-nit...)
Show SMILES NCc1ccn(c1)-c1cc2n(CC(O)=O)c(=O)c(=O)[nH]c2cc1[N+]([O-])=O
Show InChI InChI=1S/C15H13N5O6/c16-5-8-1-2-18(6-8)11-4-10-9(3-12(11)20(25)26)17-14(23)15(24)19(10)7-13(21)22/h1-4,6H,5,7,16H2,(H,17,23)(H,21,22)
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9.80E+3n/an/an/an/an/an/an/an/a



Abbott GmbH & Co. KG

Curated by ChEMBL


Assay Description
Binding affinity of the compound was determined towards Kai-2 using [3]H-kainate as the radioligand


Bioorg Med Chem Lett 12: 2113-6 (2002)


BindingDB Entry DOI: 10.7270/Q22806XK
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, kainate 5


(Homo sapiens (Human))
BDBM50116050
PNG
(1-(4-Carboxymethyl-7-nitro-2,3-dioxo-1,2,3,4-tetra...)
Show SMILES OC(=O)Cn1c2cc(c(cc2[nH]c(=O)c1=O)[N+]([O-])=O)-n1ccc(c1)C(O)=O
Show InChI InChI=1S/C15H10N4O8/c20-12(21)6-18-9-4-10(17-2-1-7(5-17)15(24)25)11(19(26)27)3-8(9)16-13(22)14(18)23/h1-5H,6H2,(H,16,22)(H,20,21)(H,24,25)
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1.10E+4n/an/an/an/an/an/an/an/a



Abbott GmbH & Co. KG

Curated by ChEMBL


Assay Description
Binding affinity of the compound was determined towards Kai-2 using [3]H-kainate as the radioligand


Bioorg Med Chem Lett 12: 2113-6 (2002)


BindingDB Entry DOI: 10.7270/Q22806XK
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, kainate 5


(Homo sapiens (Human))
BDBM50116040
PNG
((7-{3-[3-(4-Nitro-phenyl)-ureidomethyl]-pyrrol-1-y...)
Show SMILES OC(=O)Cn1c2cc(c(cc2[nH]c(=O)c1=O)C(F)(F)F)-n1ccc(CNC(=O)Nc2ccc(cc2)[N+]([O-])=O)c1
Show InChI InChI=1S/C23H17F3N6O7/c24-23(25,26)15-7-16-18(31(11-19(33)34)21(36)20(35)29-16)8-17(15)30-6-5-12(10-30)9-27-22(37)28-13-1-3-14(4-2-13)32(38)39/h1-8,10H,9,11H2,(H,29,35)(H,33,34)(H2,27,28,37)
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1.20E+4n/an/an/an/an/an/an/an/a



Abbott GmbH & Co. KG

Curated by ChEMBL


Assay Description
Binding affinity of the compound was determined towards Kai-2 using [3]H-kainate as the radioligand


Bioorg Med Chem Lett 12: 2113-6 (2002)


BindingDB Entry DOI: 10.7270/Q22806XK
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, kainate 5


(Homo sapiens (Human))
BDBM50116044
PNG
(CHEMBL416685 | {6-Nitro-2,3-dioxo-7-[3-(4-phenyl-p...)
Show SMILES OC(=O)Cn1c2cc(c(cc2[nH]c(=O)c1=O)[N+]([O-])=O)-n1ccc(CN2CCC(CC2)c2ccccc2)c1
Show InChI InChI=1S/C26H25N5O6/c32-24(33)16-30-21-13-22(23(31(36)37)12-20(21)27-25(34)26(30)35)29-11-6-17(15-29)14-28-9-7-19(8-10-28)18-4-2-1-3-5-18/h1-6,11-13,15,19H,7-10,14,16H2,(H,27,34)(H,32,33)
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1.80E+4n/an/an/an/an/an/an/an/a



Abbott GmbH & Co. KG

Curated by ChEMBL


Assay Description
Binding affinity towards cloned human Kai-2 subunit stably expressed in cultured HEK-293 cells using [3]H-kainate as radioligand


Bioorg Med Chem Lett 12: 2113-6 (2002)


BindingDB Entry DOI: 10.7270/Q22806XK
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, kainate 5


(Homo sapiens (Human))
BDBM50116042
PNG
(CHEMBL63861 | {7-[3-(4-Benzyl-piperazin-1-ylmethyl...)
Show SMILES OC(=O)Cn1c2cc(c(cc2[nH]c(=O)c1=O)[N+]([O-])=O)-n1ccc(CN2CCN(Cc3ccccc3)CC2)c1
Show InChI InChI=1S/C26H26N6O6/c33-24(34)17-31-21-13-22(23(32(37)38)12-20(21)27-25(35)26(31)36)30-7-6-19(16-30)15-29-10-8-28(9-11-29)14-18-4-2-1-3-5-18/h1-7,12-13,16H,8-11,14-15,17H2,(H,27,35)(H,33,34)
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2.00E+4n/an/an/an/an/an/an/an/a



Abbott GmbH & Co. KG

Curated by ChEMBL


Assay Description
Binding affinity towards cloned human Kai-2 subunit stably expressed in cultured HEK-293 cells using [3]H-kainate as radioligand


Bioorg Med Chem Lett 12: 2113-6 (2002)


BindingDB Entry DOI: 10.7270/Q22806XK
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, kainate 5


(Homo sapiens (Human))
BDBM50116047
PNG
((6-Nitro-2,3-dioxo-7-{3-[(3-phenyl-propylamino)-me...)
Show SMILES OC(=O)Cn1c2cc(c(cc2[nH]c(=O)c1=O)[N+]([O-])=O)-n1ccc(CNCCCc2ccccc2)c1
Show InChI InChI=1S/C24H23N5O6/c30-22(31)15-28-19-12-20(21(29(34)35)11-18(19)26-23(32)24(28)33)27-10-8-17(14-27)13-25-9-4-7-16-5-2-1-3-6-16/h1-3,5-6,8,10-12,14,25H,4,7,9,13,15H2,(H,26,32)(H,30,31)
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2.00E+4n/an/an/an/an/an/an/an/a



Abbott GmbH & Co. KG

Curated by ChEMBL


Assay Description
Binding affinity towards cloned human Kai-2 subunit stably expressed in cultured HEK-293 cells using [3]H-kainate as radioligand


Bioorg Med Chem Lett 12: 2113-6 (2002)


BindingDB Entry DOI: 10.7270/Q22806XK
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, kainate 2


(Homo sapiens (Human))
BDBM50116045
PNG
(3-(7-{3-[(Benzyl-methyl-amino)-methyl]-pyrrol-1-yl...)
Show SMILES CN(Cc1ccn(c1)-c1cc2n(CCC(O)=O)c(=O)c(=O)[nH]c2cc1[N+]([O-])=O)Cc1ccccc1
Show InChI InChI=1S/C24H23N5O6/c1-26(13-16-5-3-2-4-6-16)14-17-7-9-27(15-17)20-12-19-18(11-21(20)29(34)35)25-23(32)24(33)28(19)10-8-22(30)31/h2-7,9,11-12,15H,8,10,13-14H2,1H3,(H,25,32)(H,30,31)
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2.30E+4n/an/an/an/an/an/an/an/a



Abbott GmbH & Co. KG

Curated by ChEMBL


Assay Description
Binding affinity for human GluR6 expressed in HEK-293 cells using [3]H-kainate


Bioorg Med Chem Lett 12: 2113-6 (2002)


BindingDB Entry DOI: 10.7270/Q22806XK
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, kainate 5


(Homo sapiens (Human))
BDBM50116048
PNG
(CHEMBL67828 | {6-Nitro-2,3-dioxo-7-[3-(4-phenethyl...)
Show SMILES OC(=O)Cn1c2cc(c(cc2[nH]c(=O)c1=O)[N+]([O-])=O)-n1ccc(CN2CCN(CCc3ccccc3)CC2)c1
Show InChI InChI=1S/C27H28N6O6/c34-25(35)18-32-22-15-23(24(33(38)39)14-21(22)28-26(36)27(32)37)31-9-7-20(17-31)16-30-12-10-29(11-13-30)8-6-19-4-2-1-3-5-19/h1-5,7,9,14-15,17H,6,8,10-13,16,18H2,(H,28,36)(H,34,35)
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2.50E+4n/an/an/an/an/an/an/an/a



Abbott GmbH & Co. KG

Curated by ChEMBL


Assay Description
Binding affinity towards cloned human Kai-2 subunit stably expressed in cultured HEK-293 cells using [3]H-kainate as radioligand


Bioorg Med Chem Lett 12: 2113-6 (2002)


BindingDB Entry DOI: 10.7270/Q22806XK
More data for this
Ligand-Target Pair
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