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Compile Data Set for Download or QSAR

Found 94 hits with Last Name = 'hofmann' and Initial = 'hp'   
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
Calpain-1 catalytic subunit


(Homo sapiens (Human))		BDBM50092301
PNG
(1-(Benzo[b]thiophene-2-carbonyl)-piperidine-4-carb...)
Show SMILES NC(=O)C(=O)C(Cc1ccccc1)NC(=O)C1CCN(CC1)C(=O)c1cc2ccccc2s1
Show InChI InChI=1S/C25H25N3O4S/c26-23(30)22(29)19(14-16-6-2-1-3-7-16)27-24(31)17-10-12-28(13-11-17)25(32)21-15-18-8-4-5-9-20(18)33-21/h1-9,15,17,19H,10-14H2,(H2,26,30)(H,27,31)
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 9n/an/an/an/an/an/an/an/a



KNOLL AG

Curated by ChEMBL


Assay Description
Inhibition of Suc-Leu-Tyr-AMC binding to human mu-calpain from erythrocytes

Bioorg Med Chem Lett 10: 2187-91 (2001)


BindingDB Entry DOI: 10.7270/Q28K78BD
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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 15n/an/an/an/an/an/an/an/a



KNOLL AG

Curated by ChEMBL


Assay Description
Inhibition of Suc-Leu-Tyr-AMC binding to human mu-calpain from erythrocytes

Bioorg Med Chem Lett 10: 2187-91 (2001)


BindingDB Entry DOI: 10.7270/Q28K78BD
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))		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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 25n/an/an/an/an/an/an/an/a



KNOLL AG

Curated by ChEMBL


Assay Description
Inhibition of human Cathepsin B

Bioorg Med Chem Lett 10: 2187-91 (2001)


BindingDB Entry DOI: 10.7270/Q28K78BD
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
Calpain-1 catalytic subunit


(Homo sapiens (Human))		BDBM50092297
PNG
(1-(Naphthalene-2-carbonyl)-piperidine-4-carboxylic...)
Show SMILES NC(=O)C(=O)C(Cc1ccccc1)NC(=O)C1CCN(CC1)C(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C27H27N3O4/c28-25(32)24(31)23(16-18-6-2-1-3-7-18)29-26(33)20-12-14-30(15-13-20)27(34)22-11-10-19-8-4-5-9-21(19)17-22/h1-11,17,20,23H,12-16H2,(H2,28,32)(H,29,33)
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 30n/an/an/an/an/an/an/an/a



KNOLL AG

Curated by ChEMBL


Assay Description
Inhibition of Suc-Leu-Tyr-AMC binding to human mu-calpain from erythrocytes

Bioorg Med Chem Lett 10: 2187-91 (2001)


BindingDB Entry DOI: 10.7270/Q28K78BD
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
Calpain-1 catalytic subunit


(Homo sapiens (Human))		BDBM50092294
PNG
(1-(Quinoline-6-carbonyl)-piperidine-4-carboxylic a...)
Show SMILES NC(=O)C(=O)C(Cc1ccccc1)NC(=O)C1CCN(CC1)C(=O)c1ccc2ncccc2c1
Show InChI InChI=1S/C26H26N4O4/c27-24(32)23(31)22(15-17-5-2-1-3-6-17)29-25(33)18-10-13-30(14-11-18)26(34)20-8-9-21-19(16-20)7-4-12-28-21/h1-9,12,16,18,22H,10-11,13-15H2,(H2,27,32)(H,29,33)
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 160n/an/an/an/an/an/an/an/a



KNOLL AG

Curated by ChEMBL


Assay Description
Inhibition of Suc-Leu-Tyr-AMC binding to human mu-calpain from erythrocytes

Bioorg Med Chem Lett 10: 2187-91 (2001)


BindingDB Entry DOI: 10.7270/Q28K78BD
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))		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))		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
Calpain-1 catalytic subunit


(Homo sapiens (Human))		BDBM50092298
PNG
(1-(Naphthalene-2-sulfonyl)-piperidine-4-carboxylic...)
Show SMILES NC(=O)C(=O)C(Cc1ccccc1)NC(=O)C1CCN(CC1)S(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C26H27N3O5S/c27-25(31)24(30)23(16-18-6-2-1-3-7-18)28-26(32)20-12-14-29(15-13-20)35(33,34)22-11-10-19-8-4-5-9-21(19)17-22/h1-11,17,20,23H,12-16H2,(H2,27,31)(H,28,32)
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 450n/an/an/an/an/an/an/an/a



KNOLL AG

Curated by ChEMBL


Assay Description
Inhibition of Suc-Leu-Tyr-AMC binding to human mu-calpain from erythrocytes

Bioorg Med Chem Lett 10: 2187-91 (2001)


BindingDB Entry DOI: 10.7270/Q28K78BD
More data for this
Ligand-Target Pair
Calpain-1 catalytic subunit


(Homo sapiens (Human))		BDBM50092300
PNG
(1-[(E)-(3-Phenyl-acryloyl)]-piperidine-4-carboxyli...)
Show SMILES NC(=O)C(=O)C(Cc1ccccc1)NC(=O)C1CCN(CC1)C(=O)C=Cc1ccccc1 |w:25.27|
Show InChI InChI=1S/C25H27N3O4/c26-24(31)23(30)21(17-19-9-5-2-6-10-19)27-25(32)20-13-15-28(16-14-20)22(29)12-11-18-7-3-1-4-8-18/h1-12,20-21H,13-17H2,(H2,26,31)(H,27,32)
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 460n/an/an/an/an/an/an/an/a



KNOLL AG

Curated by ChEMBL


Assay Description
Inhibition of Suc-Leu-Tyr-AMC binding to human mu-calpain from erythrocytes

Bioorg Med Chem Lett 10: 2187-91 (2001)


BindingDB Entry DOI: 10.7270/Q28K78BD
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
Calpain-1 catalytic subunit


(Homo sapiens (Human))		BDBM50092295
PNG
(1-Benzoyl-piperidine-4-carboxylic acid (1-benzyl-2...)
Show SMILES NC(=O)C(=O)C(Cc1ccccc1)NC(=O)C1CCN(CC1)C(=O)c1ccccc1
Show InChI InChI=1S/C23H25N3O4/c24-21(28)20(27)19(15-16-7-3-1-4-8-16)25-22(29)17-11-13-26(14-12-17)23(30)18-9-5-2-6-10-18/h1-10,17,19H,11-15H2,(H2,24,28)(H,25,29)
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 560n/an/an/an/an/an/an/an/a



KNOLL AG

Curated by ChEMBL


Assay Description
Inhibition of Suc-Leu-Tyr-AMC binding to human mu-calpain from erythrocytes

Bioorg Med Chem Lett 10: 2187-91 (2001)


BindingDB Entry DOI: 10.7270/Q28K78BD
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
Calpain-1 catalytic subunit


(Homo sapiens (Human))		BDBM50092299
PNG
(1-(Quinoline-3-carbonyl)-piperidine-4-carboxylic a...)
Show SMILES NC(=O)C(=O)C(Cc1ccccc1)NC(=O)C1CCN(CC1)C(=O)c1cnc2ccccc2c1
Show InChI InChI=1S/C26H26N4O4/c27-24(32)23(31)22(14-17-6-2-1-3-7-17)29-25(33)18-10-12-30(13-11-18)26(34)20-15-19-8-4-5-9-21(19)28-16-20/h1-9,15-16,18,22H,10-14H2,(H2,27,32)(H,29,33)
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 670n/an/an/an/an/an/an/an/a



KNOLL AG

Curated by ChEMBL


Assay Description
Inhibition of Suc-Leu-Tyr-AMC binding to human mu-calpain from erythrocytes

Bioorg Med Chem Lett 10: 2187-91 (2001)


BindingDB Entry DOI: 10.7270/Q28K78BD
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))		BDBM50092302
PNG
(1-(Naphthalene-2-sulfonyl)-piperidine-4-carboxylic...)
Show SMILES O=C(NC(Cc1ccccc1)C(=O)C(=O)NCCCN1CCOCC1)C1CCN(CC1)S(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C33H40N4O6S/c38-31(33(40)34-15-6-16-36-19-21-43-22-20-36)30(23-25-7-2-1-3-8-25)35-32(39)27-13-17-37(18-14-27)44(41,42)29-12-11-26-9-4-5-10-28(26)24-29/h1-5,7-12,24,27,30H,6,13-23H2,(H,34,40)(H,35,39)
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 810n/an/an/an/an/an/an/an/a



KNOLL AG

Curated by ChEMBL


Assay Description
Inhibition of Suc-Leu-Tyr-AMC binding to human mu-calpain from erythrocytes

Bioorg Med Chem Lett 10: 2187-91 (2001)


BindingDB Entry DOI: 10.7270/Q28K78BD
More data for this
Ligand-Target Pair
Calpain-1 catalytic subunit


(Homo sapiens (Human))		BDBM50092305
PNG
(1-(Naphthalene-2-carbonyl)-piperidine-4-carboxylic...)
Show SMILES O=C(NC(Cc1ccccc1)C(=O)C(=O)NCCCN1CCOCC1)C1CCN(CC1)C(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C34H40N4O5/c39-31(33(41)35-15-6-16-37-19-21-43-22-20-37)30(23-25-7-2-1-3-8-25)36-32(40)27-13-17-38(18-14-27)34(42)29-12-11-26-9-4-5-10-28(26)24-29/h1-5,7-12,24,27,30H,6,13-23H2,(H,35,41)(H,36,40)
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 960n/an/an/an/an/an/an/an/a



KNOLL AG

Curated by ChEMBL


Assay Description
Inhibition of Suc-Leu-Tyr-AMC binding to human mu-calpain from erythrocytes

Bioorg Med Chem Lett 10: 2187-91 (2001)


BindingDB Entry DOI: 10.7270/Q28K78BD
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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 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, NMDA 2C


(Rattus norvegicus (Rat))		BDBM50288367
PNG
(3-(2,3-Dioxo-7-pyrrol-1-yl-6-trifluoromethyl-3,4-d...)
Show SMILES OC(=O)CCn1c2cc(c(cc2[nH]c(=O)c1=O)C(F)(F)F)-n1cccc1
Show InChI InChI=1S/C16H12F3N3O4/c17-16(18,19)9-7-10-12(8-11(9)21-4-1-2-5-21)22(6-3-13(23)24)15(26)14(25)20-10/h1-2,4-5,7-8H,3,6H2,(H,20,25)(H,23,24)
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 1.20E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for binding affinity against glycine site of NMDA receptor using [3H]-glycine as a radioligand.

Bioorg Med Chem Lett 6: 2887-2892 (1996)


Article DOI: 10.1016/S0960-894X(96)00534-3
BindingDB Entry DOI: 10.7270/Q23N23BK
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
Calpain-1 catalytic subunit


(Homo sapiens (Human))		BDBM50092303
PNG
(1-[(E)-(3-Phenyl-acryloyl)]-piperidine-4-carboxyli...)
Show SMILES CC(C)CC(NC(=O)C1CCN(CC1)C(=O)C=Cc1ccccc1)C(=O)C(N)=O |w:17.18|
Show InChI InChI=1S/C22H29N3O4/c1-15(2)14-18(20(27)21(23)28)24-22(29)17-10-12-25(13-11-17)19(26)9-8-16-6-4-3-5-7-16/h3-9,15,17-18H,10-14H2,1-2H3,(H2,23,28)(H,24,29)
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 1.35E+3n/an/an/an/an/an/an/an/a



KNOLL AG

Curated by ChEMBL


Assay Description
Inhibition of Suc-Leu-Tyr-AMC binding to human mu-calpain from erythrocytes

Bioorg Med Chem Lett 10: 2187-91 (2001)


BindingDB Entry DOI: 10.7270/Q28K78BD
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 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 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 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
Cathepsin B


(Homo sapiens (Human))		BDBM50092301
PNG
(1-(Benzo[b]thiophene-2-carbonyl)-piperidine-4-carb...)
Show SMILES NC(=O)C(=O)C(Cc1ccccc1)NC(=O)C1CCN(CC1)C(=O)c1cc2ccccc2s1
Show InChI InChI=1S/C25H25N3O4S/c26-23(30)22(29)19(14-16-6-2-1-3-7-16)27-24(31)17-10-12-28(13-11-17)25(32)21-15-18-8-4-5-9-20(18)33-21/h1-9,15,17,19H,10-14H2,(H2,26,30)(H,27,31)
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 3.20E+3n/an/an/an/an/an/an/an/a



KNOLL AG

Curated by ChEMBL


Assay Description
Inhibition of human Cathepsin B

Bioorg Med Chem Lett 10: 2187-91 (2001)


BindingDB Entry DOI: 10.7270/Q28K78BD
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
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