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Compile Data Set for Download or QSAR

Found 575 hits with Last Name = 'bleakman' and Initial = 'd'   
Target
(Institution)
LigandTarget
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
Grik5


(HUMAN)
BDBM50060627
PNG
((S)-2-Amino-3-(5-iodo-2,4-dioxo-3,4-dihydro-2H-pyr...)
Show SMILES N[C@@H](Cn1cc(I)c(=O)[nH]c1=O)C(O)=O |r|
Show InChI InChI=1/C7H8IN3O4/c8-3-1-11(2-4(9)6(13)14)7(15)10-5(3)12/h1,4H,2,9H2,(H,13,14)(H,10,12,15)/t4-/s2
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0.240n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Displacement of [3H]kainate from human Ionotropic glutamate receptor ionotropic kainate 1 expressed in HEK293 cells


J Med Chem 40: 3645-50 (1997)

More data for this
Ligand-Target Pair
Ionotropic glutamate receptor kainate 2/5


(Rattus norvegicus)
BDBM50053067
PNG
((2S,3S,4S)-3-Carboxymethyl-4-(1-phenyl-vinyl)-pyrr...)
Show SMILES OC(=O)C[C@H]1[C@H](CN[C@@H]1C(O)=O)C(=C)c1ccccc1
Show InChI InChI=1S/C15H17NO4/c1-9(10-5-3-2-4-6-10)12-8-16-14(15(19)20)11(12)7-13(17)18/h2-6,11-12,14,16H,1,7-8H2,(H,17,18)(H,19,20)/t11-,12+,14-/m0/s1
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1.60n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of [3H]-kainate binding at rat forebrain ionotropic glutamate receptor kainate 2


J Med Chem 39: 3617-24 (1996)

More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Ionotropic glutamate receptor kainate 2/5


(Rattus norvegicus)
BDBM50053071
PNG
((2S,3S,4S)-3-Carboxymethyl-4-[1-(4-fluoro-3-methyl...)
Show SMILES Cc1cc(ccc1F)C(=C)[C@H]1CN[C@@H]([C@H]1CC(O)=O)C(O)=O
Show InChI InChI=1S/C16H18FNO4/c1-8-5-10(3-4-13(8)17)9(2)12-7-18-15(16(21)22)11(12)6-14(19)20/h3-5,11-12,15,18H,2,6-7H2,1H3,(H,19,20)(H,21,22)/t11-,12+,15-/m0/s1
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1.90n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of [3H]-kainate binding at rat forebrain ionotropic glutamate receptor kainate 2


J Med Chem 39: 3617-24 (1996)

More data for this
Ligand-Target Pair
Ionotropic glutamate receptor kainate 2/5


(Rattus norvegicus)
BDBM50053075
PNG
((2S,3S,4S)-4-(1-Biphenyl-3-yl-vinyl)-3-carboxymeth...)
Show SMILES OC(=O)C[C@H]1[C@H](CN[C@@H]1C(O)=O)C(=C)c1cccc(c1)-c1ccccc1
Show InChI InChI=1S/C21H21NO4/c1-13(18-12-22-20(21(25)26)17(18)11-19(23)24)15-8-5-9-16(10-15)14-6-3-2-4-7-14/h2-10,17-18,20,22H,1,11-12H2,(H,23,24)(H,25,26)/t17-,18+,20-/m0/s1
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2.10n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of [3H]-kainate binding at rat forebrain ionotropic glutamate receptor kainate 2


J Med Chem 39: 3617-24 (1996)

More data for this
Ligand-Target Pair
Ionotropic glutamate receptor kainate 2/5


(Rattus norvegicus)
BDBM50053083
PNG
((2S,3S,4S)-3-Carboxymethyl-4-(1-m-tolyl-vinyl)-pyr...)
Show SMILES Cc1cccc(c1)C(=C)[C@H]1CN[C@@H]([C@H]1CC(O)=O)C(O)=O
Show InChI InChI=1S/C16H19NO4/c1-9-4-3-5-11(6-9)10(2)13-8-17-15(16(20)21)12(13)7-14(18)19/h3-6,12-13,15,17H,2,7-8H2,1H3,(H,18,19)(H,20,21)/t12-,13+,15-/m0/s1
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2.20n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of [3H]-kainate binding at rat forebrain ionotropic glutamate receptor kainate 2


J Med Chem 39: 3617-24 (1996)

More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Ionotropic glutamate receptor kainate 2/5


(Rattus norvegicus)
BDBM50053080
PNG
((2S,3S,4S)-3-Carboxymethyl-4-[1-(3,4-dimethyl-phen...)
Show SMILES Cc1ccc(cc1C)C(=C)[C@H]1CN[C@@H]([C@H]1CC(O)=O)C(O)=O
Show InChI InChI=1S/C17H21NO4/c1-9-4-5-12(6-10(9)2)11(3)14-8-18-16(17(21)22)13(14)7-15(19)20/h4-6,13-14,16,18H,3,7-8H2,1-2H3,(H,19,20)(H,21,22)/t13-,14+,16-/m0/s1
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2.30n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of [3H]-kainate binding at rat forebrain ionotropic glutamate receptor kainate 2


J Med Chem 39: 3617-24 (1996)

More data for this
Ligand-Target Pair
Ionotropic glutamate receptor kainate 2/5


(Rattus norvegicus)
BDBM50053088
PNG
((2S,3S,4S)-3-Carboxymethyl-4-(1-p-tolyl-vinyl)-pyr...)
Show SMILES Cc1ccc(cc1)C(=C)[C@H]1CN[C@@H]([C@H]1CC(O)=O)C(O)=O
Show InChI InChI=1S/C16H19NO4/c1-9-3-5-11(6-4-9)10(2)13-8-17-15(16(20)21)12(13)7-14(18)19/h3-6,12-13,15,17H,2,7-8H2,1H3,(H,18,19)(H,20,21)/t12-,13+,15-/m0/s1
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2.60n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of [3H]-kainate binding at rat forebrain ionotropic glutamate receptor kainate 2


J Med Chem 39: 3617-24 (1996)

More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Ionotropic glutamate receptor kainate 2/5


(Rattus norvegicus)
BDBM50053087
PNG
((2S,3S,4S)-3-Carboxymethyl-4-[1-(4-fluoro-phenyl)-...)
Show SMILES OC(=O)C[C@H]1[C@H](CN[C@@H]1C(O)=O)C(=C)c1ccc(F)cc1
Show InChI InChI=1S/C15H16FNO4/c1-8(9-2-4-10(16)5-3-9)12-7-17-14(15(20)21)11(12)6-13(18)19/h2-5,11-12,14,17H,1,6-7H2,(H,18,19)(H,20,21)/t11-,12+,14-/m0/s1
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2.70n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of [3H]-kainate binding at rat forebrain ionotropic glutamate receptor kainate 2


J Med Chem 39: 3617-24 (1996)

More data for this
Ligand-Target Pair
Ionotropic glutamate receptor kainate 2/5


(Rattus norvegicus)
BDBM50053064
PNG
((2S,3S,4S)-4-[1-(4-Butoxy-phenyl)-vinyl]-3-carboxy...)
Show SMILES CCCCOc1ccc(cc1)C(=C)[C@H]1CN[C@@H]([C@H]1CC(O)=O)C(O)=O
Show InChI InChI=1S/C19H25NO5/c1-3-4-9-25-14-7-5-13(6-8-14)12(2)16-11-20-18(19(23)24)15(16)10-17(21)22/h5-8,15-16,18,20H,2-4,9-11H2,1H3,(H,21,22)(H,23,24)/t15-,16+,18-/m0/s1
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2.80n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of [3H]-kainate binding at rat forebrain ionotropic glutamate receptor kainate 2


J Med Chem 39: 3617-24 (1996)

More data for this
Ligand-Target Pair
Grik5


(HUMAN)
BDBM50060630
PNG
((S)-2-Amino-3-(6-bromo-3,5-dioxo-4,5-dihydro-3H-[1...)
Show SMILES N[C@@H](Cn1nc(Br)c(=O)[nH]c1=O)C(O)=O
Show InChI InChI=1S/C6H7BrN4O4/c7-3-4(12)9-6(15)11(10-3)1-2(8)5(13)14/h2H,1,8H2,(H,13,14)(H,9,12,15)/t2-/m0/s1
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2.90n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Displacement of [3H]kainate from human Ionotropic glutamate receptor ionotropic kainate 1 expressed in HEK293 cells


J Med Chem 40: 3645-50 (1997)

More data for this
Ligand-Target Pair
GRIK1


(Homo sapiens (Human))
BDBM50031704
PNG
((2S,4R)-2-Amino-4-methyl-pentanedioic acid | (2S,4...)
Show SMILES C[C@H](C[C@H](N)C(O)=O)C(O)=O |r|
Show InChI InChI=1/C6H11NO4/c1-3(5(8)9)2-4(7)6(10)11/h3-4H,2,7H2,1H3,(H,8,9)(H,10,11)/t3-,4+/s2
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3n/an/an/an/an/an/an/an/a



Lilly, S.A.

Curated by ChEMBL


Assay Description
Binding affinity against human ionotropic glutamate receptor kainate 1 in HK293 cells using [3H]-kainate as radioligand


J Med Chem 43: 1958-68 (2000)

More data for this
Ligand-Target Pair
Ionotropic glutamate receptor kainate 2/5


(Rattus norvegicus)
BDBM50053063
PNG
((2S,3S,4S)-3-Carboxymethyl-4-[1-(3-methoxy-phenyl)...)
Show SMILES COc1cccc(c1)C(=C)[C@H]1CN[C@@H]([C@H]1CC(O)=O)C(O)=O
Show InChI InChI=1S/C16H19NO5/c1-9(10-4-3-5-11(6-10)22-2)13-8-17-15(16(20)21)12(13)7-14(18)19/h3-6,12-13,15,17H,1,7-8H2,2H3,(H,18,19)(H,20,21)/t12-,13+,15-/m0/s1
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3.5n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of [3H]-kainate binding at rat forebrain ionotropic glutamate receptor kainate 2


J Med Chem 39: 3617-24 (1996)

More data for this
Ligand-Target Pair
Glutamate receptor ionotropic AMPA


(Homo sapiens)
BDBM50060628
PNG
((S)-2-Amino-3-(6-chloro-3,5-dioxo-4,5-dihydro-3H-[...)
Show SMILES N[C@@H](Cn1nc(Cl)c(=O)[nH]c1=O)C(O)=O
Show InChI InChI=1S/C6H7ClN4O4/c7-3-4(12)9-6(15)11(10-3)1-2(8)5(13)14/h2H,1,8H2,(H,13,14)(H,9,12,15)/t2-/m0/s1
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3.60n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Displacement of [3H]AMPA from human Ionotropic glutamate receptor AMPA 4 expressed in HEK293 cells


J Med Chem 40: 3645-50 (1997)

More data for this
Ligand-Target Pair
Ionotropic glutamate receptor kainate 2/5


(Rattus norvegicus)
BDBM50053068
PNG
((2S,3S,4S)-3-Carboxymethyl-4-[1-(4-isopropenyl-phe...)
Show SMILES CC(=C)c1ccc(cc1)C(=C)[C@H]1CN[C@@H]([C@H]1CC(O)=O)C(O)=O
Show InChI InChI=1S/C18H21NO4/c1-10(2)12-4-6-13(7-5-12)11(3)15-9-19-17(18(22)23)14(15)8-16(20)21/h4-7,14-15,17,19H,1,3,8-9H2,2H3,(H,20,21)(H,22,23)/t14-,15+,17-/m0/s1
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3.60n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of [3H]-kainate binding at rat forebrain ionotropic glutamate receptor kainate 2


J Med Chem 39: 3617-24 (1996)

More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Ionotropic glutamate receptor kainate 2/5


(Rattus norvegicus)
BDBM50053059
PNG
((2S,3S,4S)-3-Carboxymethyl-4-[1-(4-propyl-phenyl)-...)
Show SMILES CCCc1ccc(cc1)C(=C)[C@H]1CN[C@@H]([C@H]1CC(O)=O)C(O)=O
Show InChI InChI=1S/C18H23NO4/c1-3-4-12-5-7-13(8-6-12)11(2)15-10-19-17(18(22)23)14(15)9-16(20)21/h5-8,14-15,17,19H,2-4,9-10H2,1H3,(H,20,21)(H,22,23)/t14-,15+,17-/m0/s1
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3.60n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of [3H]-kainate binding at rat forebrain ionotropic glutamate receptor kainate 2


J Med Chem 39: 3617-24 (1996)

More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Ionotropic glutamate receptor kainate 2/5


(Rattus norvegicus)
BDBM50002369
PNG
((2S-(2alpha,3beta,4beta))-2-carboxy-4-(1-methyleth...)
Show SMILES CC(=C)[C@H]1CN[C@@H]([C@H]1CC(O)=O)C(O)=O |r|
Show InChI InChI=1/C10H15NO4/c1-5(2)7-4-11-9(10(14)15)6(7)3-8(12)13/h6-7,9,11H,1,3-4H2,2H3,(H,12,13)(H,14,15)/t6-,7+,9-/s2
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3.70n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of [3H]-kainate binding at rat forebrain ionotropic glutamate receptor kainate 2


J Med Chem 39: 3617-24 (1996)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Ionotropic glutamate receptor kainate 2/5


(Rattus norvegicus)
BDBM50053073
PNG
((2S,3S,4S)-3-Carboxymethyl-4-[1-(4-methoxy-phenyl)...)
Show SMILES COc1ccc(cc1)C(=C)[C@H]1CN[C@@H]([C@H]1CC(O)=O)C(O)=O
Show InChI InChI=1S/C16H19NO5/c1-9(10-3-5-11(22-2)6-4-10)13-8-17-15(16(20)21)12(13)7-14(18)19/h3-6,12-13,15,17H,1,7-8H2,2H3,(H,18,19)(H,20,21)/t12-,13+,15-/m0/s1
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3.90n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of [3H]-kainate binding at rat forebrain ionotropic glutamate receptor kainate 2


J Med Chem 39: 3617-24 (1996)

More data for this
Ligand-Target Pair
Ionotropic glutamate receptor kainate 2/5


(Rattus norvegicus)
BDBM50053061
PNG
((2S,3S,4S)-3-Carboxymethyl-4-[1-(4-chloro-phenyl)-...)
Show SMILES OC(=O)C[C@H]1[C@H](CN[C@@H]1C(O)=O)C(=C)c1ccc(Cl)cc1
Show InChI InChI=1S/C15H16ClNO4/c1-8(9-2-4-10(16)5-3-9)12-7-17-14(15(20)21)11(12)6-13(18)19/h2-5,11-12,14,17H,1,6-7H2,(H,18,19)(H,20,21)/t11-,12+,14-/m0/s1
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3.90n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of [3H]-kainate binding at rat forebrain ionotropic glutamate receptor kainate 2


J Med Chem 39: 3617-24 (1996)

More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Ionotropic glutamate receptor kainate 2/5


(Rattus norvegicus)
BDBM50053082
PNG
((2S,3S,4S)-4-[1-(4-Butyl-phenyl)-vinyl]-3-carboxym...)
Show SMILES CCCCc1ccc(cc1)C(=C)[C@H]1CN[C@@H]([C@H]1CC(O)=O)C(O)=O
Show InChI InChI=1S/C19H25NO4/c1-3-4-5-13-6-8-14(9-7-13)12(2)16-11-20-18(19(23)24)15(16)10-17(21)22/h6-9,15-16,18,20H,2-5,10-11H2,1H3,(H,21,22)(H,23,24)/t15-,16+,18-/m0/s1
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4.80n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of [3H]-kainate binding at rat forebrain ionotropic glutamate receptor kainate 2


J Med Chem 39: 3617-24 (1996)

More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Ionotropic glutamate receptor kainate 2/5


(Rattus norvegicus)
BDBM50053065
PNG
((2S,3S,4S)-3-Carboxymethyl-4-[1-(4-phenethyloxy-ph...)
Show SMILES OC(=O)C[C@H]1[C@H](CN[C@@H]1C(O)=O)C(=C)c1ccc(OCCc2ccccc2)cc1
Show InChI InChI=1S/C23H25NO5/c1-15(20-14-24-22(23(27)28)19(20)13-21(25)26)17-7-9-18(10-8-17)29-12-11-16-5-3-2-4-6-16/h2-10,19-20,22,24H,1,11-14H2,(H,25,26)(H,27,28)/t19-,20+,22-/m0/s1
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6.20n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of [3H]-kainate binding at rat forebrain ionotropic glutamate receptor kainate 2


J Med Chem 39: 3617-24 (1996)

More data for this
Ligand-Target Pair
GRIK1


(Homo sapiens (Human))
BDBM50088223
PNG
(CHEMBL61751 | E-2-Amino-4-(3-naphthalen-1-yl-allyl...)
Show SMILES N[C@@H](C[C@@H](C\C=C\c1cccc2ccccc12)C(O)=O)C(O)=O
Show InChI InChI=1S/C18H19NO4/c19-16(18(22)23)11-14(17(20)21)9-4-8-13-7-3-6-12-5-1-2-10-15(12)13/h1-8,10,14,16H,9,11,19H2,(H,20,21)(H,22,23)/b8-4+/t14-,16+/m1/s1
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7n/an/an/an/an/an/an/an/a



Lilly, S.A.

Curated by ChEMBL


Assay Description
Binding affinity against human ionotropic glutamate receptor kainate 1 in HK293 cells using [3H]-kainate as radioligand


J Med Chem 43: 1958-68 (2000)

More data for this
Ligand-Target Pair
GRIA1


(HUMAN)
BDBM50060628
PNG
((S)-2-Amino-3-(6-chloro-3,5-dioxo-4,5-dihydro-3H-[...)
Show SMILES N[C@@H](Cn1nc(Cl)c(=O)[nH]c1=O)C(O)=O
Show InChI InChI=1S/C6H7ClN4O4/c7-3-4(12)9-6(15)11(10-3)1-2(8)5(13)14/h2H,1,8H2,(H,13,14)(H,9,12,15)/t2-/m0/s1
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7.10n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Displacement of [3H]AMPA from human Ionotropic glutamate receptor AMPA 1 expressed in HEK293 cells


J Med Chem 40: 3645-50 (1997)

More data for this
Ligand-Target Pair
Ionotropic glutamate receptor kainate 2/5


(Rattus norvegicus)
BDBM50053089
PNG
((2S,3S,4S)-3-Carboxymethyl-4-[1-(4-ethyl-phenyl)-v...)
Show SMILES CCc1ccc(cc1)C(=C)[C@H]1CN[C@@H]([C@H]1CC(O)=O)C(O)=O
Show InChI InChI=1S/C17H21NO4/c1-3-11-4-6-12(7-5-11)10(2)14-9-18-16(17(21)22)13(14)8-15(19)20/h4-7,13-14,16,18H,2-3,8-9H2,1H3,(H,19,20)(H,21,22)/t13-,14+,16-/m0/s1
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7.70n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of [3H]-kainate binding at rat forebrain ionotropic glutamate receptor kainate 2


J Med Chem 39: 3617-24 (1996)

More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Glutamate receptor ionotropic AMPA


(Homo sapiens)
BDBM50060630
PNG
((S)-2-Amino-3-(6-bromo-3,5-dioxo-4,5-dihydro-3H-[1...)
Show SMILES N[C@@H](Cn1nc(Br)c(=O)[nH]c1=O)C(O)=O
Show InChI InChI=1S/C6H7BrN4O4/c7-3-4(12)9-6(15)11(10-3)1-2(8)5(13)14/h2H,1,8H2,(H,13,14)(H,9,12,15)/t2-/m0/s1
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7.90n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Displacement of [3H]AMPA from human Ionotropic glutamate receptor AMPA 4 expressed in HEK293 cells


J Med Chem 40: 3645-50 (1997)

More data for this
Ligand-Target Pair
GRIK1


(Homo sapiens (Human))
BDBM50088197
PNG
(CHEMBL58590 | E-2-Amino-4-[3-(4-chloro-phenyl)-all...)
Show SMILES N[C@@H](C[C@@H](C\C=C\c1ccc(Cl)cc1)C(O)=O)C(O)=O
Show InChI InChI=1S/C14H16ClNO4/c15-11-6-4-9(5-7-11)2-1-3-10(13(17)18)8-12(16)14(19)20/h1-2,4-7,10,12H,3,8,16H2,(H,17,18)(H,19,20)/b2-1+/t10-,12+/m1/s1
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8n/an/an/an/an/an/an/an/a



Lilly, S.A.

Curated by ChEMBL


Assay Description
Compound was tested for binding affinity against Ionotropic glutamate receptor ionotropic kainate 1 in HK293 cells using [3H]-kainate as radioligand;...


J Med Chem 43: 1958-68 (2000)

More data for this
Ligand-Target Pair
Grik5


(HUMAN)
BDBM50002369
PNG
((2S-(2alpha,3beta,4beta))-2-carboxy-4-(1-methyleth...)
Show SMILES CC(=C)[C@H]1CN[C@@H]([C@H]1CC(O)=O)C(O)=O |r|
Show InChI InChI=1/C10H15NO4/c1-5(2)7-4-11-9(10(14)15)6(7)3-8(12)13/h6-7,9,11H,1,3-4H2,2H3,(H,12,13)(H,14,15)/t6-,7+,9-/s2
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8n/an/an/an/an/an/an/an/a



Lilly, S.A.

Curated by ChEMBL


Assay Description
Ability of the compound to bind to Ionotropic glutamate receptor kainate (kainate 2) was evaluated.


J Med Chem 43: 1958-68 (2000)

More data for this
Ligand-Target Pair
GRIK1


(Homo sapiens (Human))
BDBM50088197
PNG
(CHEMBL58590 | E-2-Amino-4-[3-(4-chloro-phenyl)-all...)
Show SMILES N[C@@H](C[C@@H](C\C=C\c1ccc(Cl)cc1)C(O)=O)C(O)=O
Show InChI InChI=1S/C14H16ClNO4/c15-11-6-4-9(5-7-11)2-1-3-10(13(17)18)8-12(16)14(19)20/h1-2,4-7,10,12H,3,8,16H2,(H,17,18)(H,19,20)/b2-1+/t10-,12+/m1/s1
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8n/an/an/an/an/an/an/an/a



Lilly, S.A.

Curated by ChEMBL


Assay Description
Binding affinity against human ionotropic glutamate receptor kainate 1 in HK293 cells using [3H]-kainate as radioligand


J Med Chem 43: 1958-68 (2000)

More data for this
Ligand-Target Pair
Ionotropic glutamate receptor kainate 2/5


(Rattus norvegicus)
BDBM50053070
PNG
((2S,3S,4S)-3-Carboxymethyl-4-{1-[4-(1-methylene-pr...)
Show SMILES CCC(=C)c1ccc(cc1)C(=C)[C@H]1CN[C@@H]([C@H]1CC(O)=O)C(O)=O
Show InChI InChI=1S/C19H23NO4/c1-4-11(2)13-5-7-14(8-6-13)12(3)16-10-20-18(19(23)24)15(16)9-17(21)22/h5-8,15-16,18,20H,2-4,9-10H2,1H3,(H,21,22)(H,23,24)/t15-,16+,18-/m0/s1
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9n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of [3H]-kainate binding at rat forebrain ionotropic glutamate receptor kainate 2


J Med Chem 39: 3617-24 (1996)

More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Ionotropic glutamate receptor kainate 2/5


(Rattus norvegicus)
BDBM50053076
PNG
((2S,3S,4S)-4-(1-Biphenyl-4-yl-vinyl)-3-carboxymeth...)
Show SMILES OC(=O)C[C@H]1[C@H](CN[C@@H]1C(O)=O)C(=C)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C21H21NO4/c1-13(18-12-22-20(21(25)26)17(18)11-19(23)24)14-7-9-16(10-8-14)15-5-3-2-4-6-15/h2-10,17-18,20,22H,1,11-12H2,(H,23,24)(H,25,26)/t17-,18+,20-/m0/s1
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9.10n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of [3H]-kainate binding at rat forebrain ionotropic glutamate receptor kainate 2


J Med Chem 39: 3617-24 (1996)

More data for this
Ligand-Target Pair
Grik5


(HUMAN)
BDBM50060636
PNG
((S)-2-Amino-3-(5-bromo-2,4-dioxo-3,4-dihydro-2H-py...)
Show SMILES N[C@@H](Cn1cc(Br)c(=O)[nH]c1=O)C(O)=O |r|
Show InChI InChI=1/C7H8BrN3O4/c8-3-1-11(2-4(9)6(13)14)7(15)10-5(3)12/h1,4H,2,9H2,(H,13,14)(H,10,12,15)/t4-/s2
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9.10n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Displacement of [3H]kainate from human Ionotropic glutamate receptor ionotropic kainate 1 expressed in HEK293 cells


J Med Chem 40: 3645-50 (1997)

More data for this
Ligand-Target Pair
Ionotropic glutamate receptor kainate 2/5


(Rattus norvegicus)
BDBM50053062
PNG
((2S,3S,4S)-3-Carboxymethyl-4-[1-(3,5-dimethyl-phen...)
Show SMILES Cc1cc(C)cc(c1)C(=C)[C@H]1CN[C@@H]([C@H]1CC(O)=O)C(O)=O
Show InChI InChI=1S/C17H21NO4/c1-9-4-10(2)6-12(5-9)11(3)14-8-18-16(17(21)22)13(14)7-15(19)20/h4-6,13-14,16,18H,3,7-8H2,1-2H3,(H,19,20)(H,21,22)/t13-,14+,16-/m0/s1
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9.5n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of [3H]-kainate binding at rat forebrain ionotropic glutamate receptor kainate 2


J Med Chem 39: 3617-24 (1996)

More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Glutamate-Kainate 7


(HUMAN)
BDBM50002369
PNG
((2S-(2alpha,3beta,4beta))-2-carboxy-4-(1-methyleth...)
Show SMILES CC(=C)[C@H]1CN[C@@H]([C@H]1CC(O)=O)C(O)=O |r|
Show InChI InChI=1/C10H15NO4/c1-5(2)7-4-11-9(10(14)15)6(7)3-8(12)13/h6-7,9,11H,1,3-4H2,2H3,(H,12,13)(H,14,15)/t6-,7+,9-/s2
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10n/an/an/an/an/an/an/an/a



Eli Lilly and Company Ltd

Curated by ChEMBL


Assay Description
Binding affinity of compound was determined against Ionotropic glutamate receptor ionotropic kainate 3 using cell membranes prepared from HEK293 cell...


Bioorg Med Chem Lett 10: 1807-10 (2000)

More data for this
Ligand-Target Pair
Grik2


()
BDBM50031704
PNG
((2S,4R)-2-Amino-4-methyl-pentanedioic acid | (2S,4...)
Show SMILES C[C@H](C[C@H](N)C(O)=O)C(O)=O |r|
Show InChI InChI=1/C6H11NO4/c1-3(5(8)9)2-4(7)6(10)11/h3-4H,2,7H2,1H3,(H,8,9)(H,10,11)/t3-,4+/s2
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10n/an/an/an/an/an/an/an/a



Lilly, S.A.

Curated by ChEMBL


Assay Description
Binding affinity against human ionotropic glutamate receptor ionotropic kainate 2 in HEK293 cells using [3H]-kainate as radioligand


J Med Chem 43: 1958-68 (2000)

More data for this
Ligand-Target Pair
Glutamate-Kainate 7


(HUMAN)
BDBM50002369
PNG
((2S-(2alpha,3beta,4beta))-2-carboxy-4-(1-methyleth...)
Show SMILES CC(=C)[C@H]1CN[C@@H]([C@H]1CC(O)=O)C(O)=O |r|
Show InChI InChI=1/C10H15NO4/c1-5(2)7-4-11-9(10(14)15)6(7)3-8(12)13/h6-7,9,11H,1,3-4H2,2H3,(H,12,13)(H,14,15)/t6-,7+,9-/s2
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10n/an/an/an/an/an/an/an/a



Lilly, S.A.

Curated by ChEMBL


Assay Description
Ability of the compound to bind to Ionotropic glutamate receptor ionotropic kainate 3 was evaluated


J Med Chem 43: 1958-68 (2000)

More data for this
Ligand-Target Pair
GRIK1


(Homo sapiens (Human))
BDBM50088229
PNG
(2-Amino-4-prop-2-ynyl-pentanedioic acid | CHEMBL59...)
Show SMILES N[C@@H](C[C@@H](CC#C)C(O)=O)C(O)=O
Show InChI InChI=1S/C8H11NO4/c1-2-3-5(7(10)11)4-6(9)8(12)13/h1,5-6H,3-4,9H2,(H,10,11)(H,12,13)/t5-,6+/m1/s1
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11.6n/an/an/an/an/an/an/an/a



Lilly, S.A.

Curated by ChEMBL


Assay Description
Binding affinity against human ionotropic glutamate receptor kainate 1 in HK293 cells using [3H]-kainate as radioligand


J Med Chem 43: 1958-68 (2000)

More data for this
Ligand-Target Pair
Ionotropic glutamate receptor kainate 2/5


(Rattus norvegicus)
BDBM50053074
PNG
((2S,3S,4S)-3-Carboxymethyl-4-[1-(4-phenoxy-phenyl)...)
Show SMILES OC(=O)C[C@H]1[C@H](CN[C@@H]1C(O)=O)C(=C)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C21H21NO5/c1-13(18-12-22-20(21(25)26)17(18)11-19(23)24)14-7-9-16(10-8-14)27-15-5-3-2-4-6-15/h2-10,17-18,20,22H,1,11-12H2,(H,23,24)(H,25,26)/t17-,18+,20-/m0/s1
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11.9n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of [3H]-kainate binding at rat forebrain ionotropic glutamate receptor kainate 2


J Med Chem 39: 3617-24 (1996)

More data for this
Ligand-Target Pair
GRIK1


(Homo sapiens (Human))
BDBM50088222
PNG
((2S,4R)-2-Amino-4-((E)-3-naphthalen-2-yl-allyl)-pe...)
Show SMILES N[C@@H](C[C@@H](C\C=C\c1ccc2ccccc2c1)C(O)=O)C(O)=O
Show InChI InChI=1S/C18H19NO4/c19-16(18(22)23)11-15(17(20)21)7-3-4-12-8-9-13-5-1-2-6-14(13)10-12/h1-6,8-10,15-16H,7,11,19H2,(H,20,21)(H,22,23)/b4-3+/t15-,16+/m1/s1
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14n/an/an/an/an/an/an/an/a



Lilly, S.A.

Curated by ChEMBL


Assay Description
Compound was tested for binding affinity against Ionotropic glutamate receptor ionotropic kainate 1 in HK293 cells using [3H]-kainate as radioligand;...


J Med Chem 43: 1958-68 (2000)

More data for this
Ligand-Target Pair
GRIA1


(HUMAN)
BDBM50060635
PNG
((S)-2-Amino-3-(5-fluoro-2,4-dioxo-3,4-dihydro-2H-p...)
Show SMILES N[C@@H](Cn1cc(F)c(=O)[nH]c1=O)C(O)=O |r|
Show InChI InChI=1/C7H8FN3O4/c8-3-1-11(2-4(9)6(13)14)7(15)10-5(3)12/h1,4H,2,9H2,(H,13,14)(H,10,12,15)/t4-/s2
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15n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Displacement of [3H]AMPA from human Ionotropic glutamate receptor AMPA 1 expressed in HEK293 cells


J Med Chem 40: 3645-50 (1997)

More data for this
Ligand-Target Pair
GRIK1


(Homo sapiens (Human))
BDBM50088222
PNG
((2S,4R)-2-Amino-4-((E)-3-naphthalen-2-yl-allyl)-pe...)
Show SMILES N[C@@H](C[C@@H](C\C=C\c1ccc2ccccc2c1)C(O)=O)C(O)=O
Show InChI InChI=1S/C18H19NO4/c19-16(18(22)23)11-15(17(20)21)7-3-4-12-8-9-13-5-1-2-6-14(13)10-12/h1-6,8-10,15-16H,7,11,19H2,(H,20,21)(H,22,23)/b4-3+/t15-,16+/m1/s1
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15n/an/an/an/an/an/an/an/a



Lilly, S.A.

Curated by ChEMBL


Assay Description
Compound was tested for binding affinity against Ionotropic glutamate receptor ionotropic kainate 1 in HK293 cells using [3H]-kainate as radioligand;...


J Med Chem 43: 1958-68 (2000)

More data for this
Ligand-Target Pair
GRIK1


(Homo sapiens (Human))
BDBM50088222
PNG
((2S,4R)-2-Amino-4-((E)-3-naphthalen-2-yl-allyl)-pe...)
Show SMILES N[C@@H](C[C@@H](C\C=C\c1ccc2ccccc2c1)C(O)=O)C(O)=O
Show InChI InChI=1S/C18H19NO4/c19-16(18(22)23)11-15(17(20)21)7-3-4-12-8-9-13-5-1-2-6-14(13)10-12/h1-6,8-10,15-16H,7,11,19H2,(H,20,21)(H,22,23)/b4-3+/t15-,16+/m1/s1
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15n/an/an/an/an/an/an/an/a



Eli Lilly and Company Ltd

Curated by ChEMBL


Assay Description
Binding affinity of compound was determined against Ionotropic glutamate receptor ionotropic kainate 1 using cell membranes prepared from HEK293 cell...


Bioorg Med Chem Lett 10: 1807-10 (2000)

More data for this
Ligand-Target Pair
Ionotropic glutamate receptor kainate 2/5


(Rattus norvegicus)
BDBM50053077
PNG
((2S,3S,4S)-3-Carboxymethyl-4-[1-(3-phenethyloxy-ph...)
Show SMILES OC(=O)C[C@H]1[C@H](CN[C@@H]1C(O)=O)C(=C)c1cccc(OCCc2ccccc2)c1
Show InChI InChI=1S/C23H25NO5/c1-15(20-14-24-22(23(27)28)19(20)13-21(25)26)17-8-5-9-18(12-17)29-11-10-16-6-3-2-4-7-16/h2-9,12,19-20,22,24H,1,10-11,13-14H2,(H,25,26)(H,27,28)/t19-,20+,22-/m0/s1
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16n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of [3H]-kainate binding at rat forebrain ionotropic glutamate receptor kainate 2


J Med Chem 39: 3617-24 (1996)

More data for this
Ligand-Target Pair
GRIA2


(HUMAN)
BDBM50060628
PNG
((S)-2-Amino-3-(6-chloro-3,5-dioxo-4,5-dihydro-3H-[...)
Show SMILES N[C@@H](Cn1nc(Cl)c(=O)[nH]c1=O)C(O)=O
Show InChI InChI=1S/C6H7ClN4O4/c7-3-4(12)9-6(15)11(10-3)1-2(8)5(13)14/h2H,1,8H2,(H,13,14)(H,9,12,15)/t2-/m0/s1
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17n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Displacement of [3H]AMPA from human Ionotropic glutamate receptor AMPA 2 expressed in HEK293 cells


J Med Chem 40: 3645-50 (1997)

More data for this
Ligand-Target Pair
Grik2


()
BDBM50053058
PNG
((4E,6E)-(R)-7-[4,5-Bis-(1-hydroxy-vinyl)-pyrrolidi...)
Show SMILES C[C@H](C=CC=C(C)C1CNC(C1C(C)=O)C(C)=O)C(C)=O |w:4.3|
Show InChI InChI=1S/C17H25NO3/c1-10(12(3)19)7-6-8-11(2)15-9-18-17(14(5)21)16(15)13(4)20/h6-8,10,15-18H,9H2,1-5H3/b7-6+,11-8+/t10-,15?,16?,17?/m1/s1
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18.3n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of [3H]-kainate binding at ionotropic glutamate receptor kainate 2


J Med Chem 39: 3617-24 (1996)

More data for this
Ligand-Target Pair
Ionotropic glutamate receptor kainate 2/5


(Rattus norvegicus)
BDBM50053060
PNG
((2S,3S,4S)-4-[1-(4-tert-Butyl-phenyl)-vinyl]-3-car...)
Show SMILES CC(C)(C)c1ccc(cc1)C(=C)[C@H]1CN[C@@H]([C@H]1CC(O)=O)C(O)=O
Show InChI InChI=1S/C19H25NO4/c1-11(12-5-7-13(8-6-12)19(2,3)4)15-10-20-17(18(23)24)14(15)9-16(21)22/h5-8,14-15,17,20H,1,9-10H2,2-4H3,(H,21,22)(H,23,24)/t14-,15+,17-/m0/s1
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18.5n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of [3H]-kainate binding at rat forebrain ionotropic glutamate receptor kainate 2


J Med Chem 39: 3617-24 (1996)

More data for this
Ligand-Target Pair
3D
3D Structure (docked)
GRIA2


(HUMAN)
BDBM50060630
PNG
((S)-2-Amino-3-(6-bromo-3,5-dioxo-4,5-dihydro-3H-[1...)
Show SMILES N[C@@H](Cn1nc(Br)c(=O)[nH]c1=O)C(O)=O
Show InChI InChI=1S/C6H7BrN4O4/c7-3-4(12)9-6(15)11(10-3)1-2(8)5(13)14/h2H,1,8H2,(H,13,14)(H,9,12,15)/t2-/m0/s1
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19n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Displacement of [3H]AMPA from human Ionotropic glutamate receptor AMPA 2 expressed in HEK293 cells


J Med Chem 40: 3645-50 (1997)

More data for this
Ligand-Target Pair
Grik5


(HUMAN)
BDBM50060629
PNG
((S)-2-Amino-3-(6-iodo-3,5-dioxo-4,5-dihydro-3H-[1,...)
Show SMILES N[C@@H](Cn1nc(I)c(=O)[nH]c1=O)C(O)=O
Show InChI InChI=1S/C6H7IN4O4/c7-3-4(12)9-6(15)11(10-3)1-2(8)5(13)14/h2H,1,8H2,(H,13,14)(H,9,12,15)/t2-/m0/s1
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20n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Displacement of [3H]kainate from human Ionotropic glutamate receptor ionotropic kainate 1 expressed in HEK293 cells


J Med Chem 40: 3645-50 (1997)

More data for this
Ligand-Target Pair
Glutamate receptor ionotropic AMPA


(Homo sapiens)
BDBM50060629
PNG
((S)-2-Amino-3-(6-iodo-3,5-dioxo-4,5-dihydro-3H-[1,...)
Show SMILES N[C@@H](Cn1nc(I)c(=O)[nH]c1=O)C(O)=O
Show InChI InChI=1S/C6H7IN4O4/c7-3-4(12)9-6(15)11(10-3)1-2(8)5(13)14/h2H,1,8H2,(H,13,14)(H,9,12,15)/t2-/m0/s1
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20n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Displacement of [3H]AMPA from human Ionotropic glutamate receptor AMPA 4 expressed in HEK293 cells


J Med Chem 40: 3645-50 (1997)

More data for this
Ligand-Target Pair
GRIK1


(Homo sapiens (Human))
BDBM50088212
PNG
(2-Amino-4-but-2-enyl-pentanedioic acid(LY339180) |...)
Show SMILES C\C=C\C[C@H](C[C@H](N)C(O)=O)C(O)=O
Show InChI InChI=1S/C9H15NO4/c1-2-3-4-6(8(11)12)5-7(10)9(13)14/h2-3,6-7H,4-5,10H2,1H3,(H,11,12)(H,13,14)/b3-2+/t6-,7+/m1/s1
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21n/an/an/an/an/an/an/an/a



Lilly, S.A.

Curated by ChEMBL


Assay Description
Binding affinity against human ionotropic glutamate receptor kainate 1 in HK293 cells using [3H]-kainate as radioligand


J Med Chem 43: 1958-68 (2000)

More data for this
Ligand-Target Pair
Ionotropic glutamate receptor kainate 2/5


(Rattus norvegicus)
BDBM50053079
PNG
((2S,3S,4S)-4-[1-(3-Butoxy-phenyl)-vinyl]-3-carboxy...)
Show SMILES CCCCOc1cccc(c1)C(=C)[C@H]1CN[C@@H]([C@H]1CC(O)=O)C(O)=O
Show InChI InChI=1S/C19H25NO5/c1-3-4-8-25-14-7-5-6-13(9-14)12(2)16-11-20-18(19(23)24)15(16)10-17(21)22/h5-7,9,15-16,18,20H,2-4,8,10-11H2,1H3,(H,21,22)(H,23,24)/t15-,16+,18-/m0/s1
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23.3n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of [3H]-kainate binding at rat forebrain ionotropic glutamate receptor kainate 2


J Med Chem 39: 3617-24 (1996)

More data for this
Ligand-Target Pair
GRIA2


(HUMAN)
BDBM50060635
PNG
((S)-2-Amino-3-(5-fluoro-2,4-dioxo-3,4-dihydro-2H-p...)
Show SMILES N[C@@H](Cn1cc(F)c(=O)[nH]c1=O)C(O)=O |r|
Show InChI InChI=1/C7H8FN3O4/c8-3-1-11(2-4(9)6(13)14)7(15)10-5(3)12/h1,4H,2,9H2,(H,13,14)(H,10,12,15)/t4-/s2
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25n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Displacement of [3H]AMPA from human Ionotropic glutamate receptor AMPA 2 expressed in HEK293 cells


J Med Chem 40: 3645-50 (1997)

More data for this
Ligand-Target Pair
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