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Compile Data Set for Download or QSAR

Found 373 hits with Last Name = 'kristensen' and Initial = 'as'   
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 kainate


(RAT)
BDBM50126763
PNG
((S)-2-amino-3-(3-hydroxy-5-tert-butyl-4-isoxazolyl...)
Show SMILES CC(C)(C)c1o[nH]c(=O)c1C[C@H](N)C(O)=O
Show InChI InChI=1S/C10H16N2O4/c1-10(2,3)7-5(8(13)12-16-7)4-6(11)9(14)15/h6H,4,11H2,1-3H3,(H,12,13)(H,14,15)/t6-/m0/s1
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2.13n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]SYM from rat recombinant GluR5(Q) RNA-edited isoform expressed in baculovirus infected Sf9 cells


J Med Chem 52: 4911-22 (2009)

Checked by Author
Article DOI: 10.1021/jm900565c
BindingDB Entry DOI: 10.7270/Q2R49RP9
More data for this
Ligand-Target Pair
Glutamate kainate


(RAT)
BDBM50126764
PNG
((S)-2-amino-3-(3-hydroxy-7,8-dihydro-6H-cyclohepta...)
Show SMILES N[C@@H](CC1=CCCCc2o[nH]c(=O)c12)C(O)=O
Show InChI InChI=1S/C11H14N2O4/c12-7(11(15)16)5-6-3-1-2-4-8-9(6)10(14)13-17-8/h3,7H,1-2,4-5,12H2,(H,13,14)(H,15,16)/t7-/m0/s1
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2.57n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]SYM from rat recombinant GluR5(Q) RNA-edited isoform expressed in baculovirus infected Sf9 cells


J Med Chem 52: 4911-22 (2009)

Checked by Author
Article DOI: 10.1021/jm900565c
BindingDB Entry DOI: 10.7270/Q2R49RP9
More data for this
Ligand-Target Pair
Glutamate kainate


(RAT)
BDBM50295042
PNG
((S)-2-Amino-3-((RS)-3-hydroxy-8-methyl-7,8-dihydro...)
Show SMILES CC1CCC=C(C[C@H](N)C(O)=O)c2c1o[nH]c2=O
Show InChI InChI=1/C12H16N2O4/c1-6-3-2-4-7(5-8(13)12(16)17)9-10(6)18-14-11(9)15/h4,6,8H,2-3,5,13H2,1H3,(H,14,15)(H,16,17)/t6?,8-/s2
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5.08n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]SYM from rat recombinant GluR5(Q) RNA-edited isoform expressed in baculovirus infected Sf9 cells


J Med Chem 52: 4911-22 (2009)

Checked by Author
Article DOI: 10.1021/jm900565c
BindingDB Entry DOI: 10.7270/Q2R49RP9
More data for this
Ligand-Target Pair
GRIA2


(Homo sapiens (Human))
BDBM50002370
PNG
((R,S)-alpha-amino-3-hydroxy-5-methyl-4-isooxazole-...)
Show SMILES Cc1o[nH]c(=O)c1CC(N)C(O)=O
Show InChI InChI=1/C7H10N2O4/c1-3-4(6(10)9-13-3)2-5(8)7(11)12/h5H,2,8H2,1H3,(H,9,10)(H,11,12)
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17n/an/an/an/an/an/an/an/a



The Danish University of Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Binding affinity of compound was determined towards cloned Ionotropic glutamate receptor AMPA 2 (GluR2) expressed in Sf 9 insect cells


J Med Chem 46: 2246-9 (2003)


Article DOI: 10.1021/jm020588f
BindingDB Entry DOI: 10.7270/Q26T0M06
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic AMPA


(Homo sapiens (Human))
BDBM50002370
PNG
((R,S)-alpha-amino-3-hydroxy-5-methyl-4-isooxazole-...)
Show SMILES Cc1o[nH]c(=O)c1CC(N)C(O)=O
Show InChI InChI=1/C7H10N2O4/c1-3-4(6(10)9-13-3)2-5(8)7(11)12/h5H,2,8H2,1H3,(H,9,10)(H,11,12)
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21n/an/an/an/an/an/an/an/a



The Danish University of Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Binding affinity of compound was determined towards cloned Ionotropic glutamate receptor AMPA 3 (GluR3) expressed in Sf 9 insect cells


J Med Chem 46: 2246-9 (2003)


Article DOI: 10.1021/jm020588f
BindingDB Entry DOI: 10.7270/Q26T0M06
More data for this
Ligand-Target Pair
GRIA1


(Homo sapiens (Human))
BDBM50002370
PNG
((R,S)-alpha-amino-3-hydroxy-5-methyl-4-isooxazole-...)
Show SMILES Cc1o[nH]c(=O)c1CC(N)C(O)=O
Show InChI InChI=1/C7H10N2O4/c1-3-4(6(10)9-13-3)2-5(8)7(11)12/h5H,2,8H2,1H3,(H,9,10)(H,11,12)
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22n/an/an/an/an/an/an/an/a



The Danish University of Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Binding affinity of compound was determined towards cloned Ionotropic glutamate receptor AMPA 1 (GluR1) expressed in Sf 9 insect cells


J Med Chem 46: 2246-9 (2003)


Article DOI: 10.1021/jm020588f
BindingDB Entry DOI: 10.7270/Q26T0M06
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic AMPA


(Homo sapiens (Human))
BDBM50002370
PNG
((R,S)-alpha-amino-3-hydroxy-5-methyl-4-isooxazole-...)
Show SMILES Cc1o[nH]c(=O)c1CC(N)C(O)=O
Show InChI InChI=1/C7H10N2O4/c1-3-4(6(10)9-13-3)2-5(8)7(11)12/h5H,2,8H2,1H3,(H,9,10)(H,11,12)
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40n/an/an/an/an/an/an/an/a



The Danish University of Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Binding affinity of compound was determined towards cloned Ionotropic glutamate receptor AMPA 4 (GluR4) expressed in Sf 9 insect cells


J Med Chem 46: 2246-9 (2003)


Article DOI: 10.1021/jm020588f
BindingDB Entry DOI: 10.7270/Q26T0M06
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Glutamate receptor ionotropic, AMPA


(Mus musculus)
BDBM50107595
PNG
((S)-1-(2-Amino-2-carboxyethyl)-6,7-dihydro-1H-cycl...)
Show SMILES N[C@@H](Cn1c2CCCc2c(=O)[nH]c1=O)C(O)=O
Show InChI InChI=1/C10H13N3O4/c11-6(9(15)16)4-13-7-3-1-2-5(7)8(14)12-10(13)17/h6H,1-4,11H2,(H,15,16)(H,12,14,17)/t6-/s2
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109n/an/an/an/an/an/an/an/a



Universita' degli Studi di Siena

Curated by ChEMBL


Assay Description
Binding affinity towards GluR1 receptor from rat brain


J Med Chem 44: 4501-4 (2001)


Article DOI: 10.1021/jm015552m
BindingDB Entry DOI: 10.7270/Q2MC8Z9N
More data for this
Ligand-Target Pair
GRIA1


(Homo sapiens (Human))
BDBM50128264
PNG
((R,S)-2-amino-3-(4-chloro-3-hydroxy-5-isoxazolyl)p...)
Show SMILES NC(Cc1o[nH]c(=O)c1Cl)C(O)=O
Show InChI InChI=1/C6H7ClN2O4/c7-4-3(13-9-5(4)10)1-2(8)6(11)12/h2H,1,8H2,(H,9,10)(H,11,12)
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130n/an/an/an/an/an/an/an/a



The Danish University of Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Binding affinity of compound was determined towards cloned Ionotropic glutamate receptor AMPA 1 (GluR1) expressed in Sf 9 insect cells


J Med Chem 46: 2246-9 (2003)


Article DOI: 10.1021/jm020588f
BindingDB Entry DOI: 10.7270/Q26T0M06
More data for this
Ligand-Target Pair
GRIA1


(Homo sapiens (Human))
BDBM50017244
PNG
((R,S)-2-amino-3-(4-bromo-3-hydroxy-5-isoxazolyl)pr...)
Show SMILES NC(Cc1o[nH]c(=O)c1Br)C(O)=O
Show InChI InChI=1/C6H7BrN2O4/c7-4-3(13-9-5(4)10)1-2(8)6(11)12/h2H,1,8H2,(H,9,10)(H,11,12)
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170n/an/an/an/an/an/an/an/a



The Danish University of Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Binding affinity of compound was determined towards cloned Ionotropic glutamate receptor AMPA 1 (GluR1) expressed in Sf 9 insect cells


J Med Chem 46: 2246-9 (2003)


Article DOI: 10.1021/jm020588f
BindingDB Entry DOI: 10.7270/Q26T0M06
More data for this
Ligand-Target Pair
GRIA3


(RAT)
BDBM50126764
PNG
((S)-2-amino-3-(3-hydroxy-7,8-dihydro-6H-cyclohepta...)
Show SMILES N[C@@H](CC1=CCCCc2o[nH]c(=O)c12)C(O)=O
Show InChI InChI=1S/C11H14N2O4/c12-7(11(15)16)5-6-3-1-2-4-8-9(6)10(14)13-17-8/h3,7H,1-2,4-5,12H2,(H,13,14)(H,15,16)/t7-/m0/s1
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173n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]AMPA from rat recombinant GluR3 flop isoform expressed in baculovirus infected Sf9 cells


J Med Chem 52: 4911-22 (2009)

Checked by Author
Article DOI: 10.1021/jm900565c
BindingDB Entry DOI: 10.7270/Q2R49RP9
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, AMPA 2


(Rattus norvegicus)
BDBM50126764
PNG
((S)-2-amino-3-(3-hydroxy-7,8-dihydro-6H-cyclohepta...)
Show SMILES N[C@@H](CC1=CCCCc2o[nH]c(=O)c12)C(O)=O
Show InChI InChI=1S/C11H14N2O4/c12-7(11(15)16)5-6-3-1-2-4-8-9(6)10(14)13-17-8/h3,7H,1-2,4-5,12H2,(H,13,14)(H,15,16)/t7-/m0/s1
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175n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]AMPA from rat recombinant GluR2(R) RNA-edited flop isoform expressed in baculovirus infected Sf9 cells


J Med Chem 52: 4911-22 (2009)

Checked by Author
Article DOI: 10.1021/jm900565c
BindingDB Entry DOI: 10.7270/Q2R49RP9
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, kainate


(Rattus norvegicus)
BDBM50126764
PNG
((S)-2-amino-3-(3-hydroxy-7,8-dihydro-6H-cyclohepta...)
Show SMILES N[C@@H](CC1=CCCCc2o[nH]c(=O)c12)C(O)=O
Show InChI InChI=1S/C11H14N2O4/c12-7(11(15)16)5-6-3-1-2-4-8-9(6)10(14)13-17-8/h3,7H,1-2,4-5,12H2,(H,13,14)(H,15,16)/t7-/m0/s1
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199n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]SYM from rat recombinant GluR7A expressed in baculovirus infected Sf9 cells


J Med Chem 52: 4911-22 (2009)

Checked by Author
Article DOI: 10.1021/jm900565c
BindingDB Entry DOI: 10.7270/Q2R49RP9
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, AMPA 4


(Rattus norvegicus)
BDBM50126764
PNG
((S)-2-amino-3-(3-hydroxy-7,8-dihydro-6H-cyclohepta...)
Show SMILES N[C@@H](CC1=CCCCc2o[nH]c(=O)c12)C(O)=O
Show InChI InChI=1S/C11H14N2O4/c12-7(11(15)16)5-6-3-1-2-4-8-9(6)10(14)13-17-8/h3,7H,1-2,4-5,12H2,(H,13,14)(H,15,16)/t7-/m0/s1
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202n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]AMPA from rat recombinant GluR4 flop isoform expressed in baculovirus infected Sf9 cells


J Med Chem 52: 4911-22 (2009)

Checked by Author
Article DOI: 10.1021/jm900565c
BindingDB Entry DOI: 10.7270/Q2R49RP9
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, AMPA 2


(Rattus norvegicus)
BDBM50107595
PNG
((S)-1-(2-Amino-2-carboxyethyl)-6,7-dihydro-1H-cycl...)
Show SMILES N[C@@H](Cn1c2CCCc2c(=O)[nH]c1=O)C(O)=O
Show InChI InChI=1/C10H13N3O4/c11-6(9(15)16)4-13-7-3-1-2-5(7)8(14)12-10(13)17/h6H,1-4,11H2,(H,15,16)(H,12,14,17)/t6-/s2
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218n/an/an/an/an/an/an/an/a



Universita' degli Studi di Siena

Curated by ChEMBL


Assay Description
Binding affinity towards Ionotropic glutamate receptor AMPA 2 from rat brain


J Med Chem 44: 4501-4 (2001)


Article DOI: 10.1021/jm015552m
BindingDB Entry DOI: 10.7270/Q2MC8Z9N
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glutamate receptor 1 (GluA1)


(Rattus norvegicus (Rat))
BDBM50126764
PNG
((S)-2-amino-3-(3-hydroxy-7,8-dihydro-6H-cyclohepta...)
Show SMILES N[C@@H](CC1=CCCCc2o[nH]c(=O)c12)C(O)=O
Show InChI InChI=1S/C11H14N2O4/c12-7(11(15)16)5-6-3-1-2-4-8-9(6)10(14)13-17-8/h3,7H,1-2,4-5,12H2,(H,13,14)(H,15,16)/t7-/m0/s1
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232n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]AMPA from rat recombinant GluR1 flop isoform expressed in baculovirus infected Sf9 cells


J Med Chem 52: 4911-22 (2009)

Checked by Author
Article DOI: 10.1021/jm900565c
BindingDB Entry DOI: 10.7270/Q2R49RP9
More data for this
Ligand-Target Pair
GRIA2


(Homo sapiens (Human))
BDBM50017244
PNG
((R,S)-2-amino-3-(4-bromo-3-hydroxy-5-isoxazolyl)pr...)
Show SMILES NC(Cc1o[nH]c(=O)c1Br)C(O)=O
Show InChI InChI=1/C6H7BrN2O4/c7-4-3(13-9-5(4)10)1-2(8)6(11)12/h2H,1,8H2,(H,9,10)(H,11,12)
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250n/an/an/an/an/an/an/an/a



The Danish University of Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Binding affinity of compound was determined towards cloned Ionotropic glutamate receptor AMPA 2 (GluR2) expressed in Sf 9 insect cells


J Med Chem 46: 2246-9 (2003)


Article DOI: 10.1021/jm020588f
BindingDB Entry DOI: 10.7270/Q26T0M06
More data for this
Ligand-Target Pair
GRIA2


(Homo sapiens (Human))
BDBM50128264
PNG
((R,S)-2-amino-3-(4-chloro-3-hydroxy-5-isoxazolyl)p...)
Show SMILES NC(Cc1o[nH]c(=O)c1Cl)C(O)=O
Show InChI InChI=1/C6H7ClN2O4/c7-4-3(13-9-5(4)10)1-2(8)6(11)12/h2H,1,8H2,(H,9,10)(H,11,12)
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370n/an/an/an/an/an/an/an/a



The Danish University of Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Binding affinity of compound was determined towards cloned Ionotropic glutamate receptor AMPA 2 (GluR2) expressed in Sf 9 insect cells


J Med Chem 46: 2246-9 (2003)


Article DOI: 10.1021/jm020588f
BindingDB Entry DOI: 10.7270/Q26T0M06
More data for this
Ligand-Target Pair
Disks large homolog 4


(Homo sapiens (Human))
BDBM50339567
PNG
((2S,5S,8S,11S)-11-(2-carboxyethyl)-14-cyclohexyl-8...)
Show SMILES CC(C)[C@H](NC(=S)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NCCC1CCCCC1)[C@@H](C)O)C(O)=O
Show InChI InChI=1/C25H44N4O7S/c1-14(2)20(25(35)36)29-24(37)15(3)27-23(34)21(16(4)30)28-22(33)18(10-11-19(31)32)26-13-12-17-8-6-5-7-9-17/h14-18,20-21,26,30H,5-13H2,1-4H3,(H,27,34)(H,28,33)(H,29,37)(H,31,32)(H,35,36)/t15-,16+,18-,20-,21-/s2
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630n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of PSD-95 PDZ2 domain by competitive fluorescence polarization assay


J Med Chem 54: 1333-46 (2011)


Article DOI: 10.1021/jm1013924
BindingDB Entry DOI: 10.7270/Q2H13300
More data for this
Ligand-Target Pair
Disks large homolog 4


(Homo sapiens (Human))
BDBM50252827
PNG
(CHEMBL493688 | N-Cyclohexylethyl-ETAV)
Show SMILES CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NCCC1CCCCC1)C(C)O)C(O)=O
Show InChI InChI=1/C25H44N4O8/c1-14(2)20(25(36)37)28-22(33)15(3)27-24(35)21(16(4)30)29-23(34)18(10-11-19(31)32)26-13-12-17-8-6-5-7-9-17/h14-18,20-21,26,30H,5-13H2,1-4H3,(H,27,35)(H,28,33)(H,29,34)(H,31,32)(H,36,37)/t15-,16?,18-,20-,21-/s2
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630n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of PSD-95 PDZ2 domain by competitive fluorescence polarization assay


J Med Chem 54: 1333-46 (2011)


Article DOI: 10.1021/jm1013924
BindingDB Entry DOI: 10.7270/Q2H13300
More data for this
Ligand-Target Pair
GRIK1


(Homo sapiens (Human))
BDBM50002370
PNG
((R,S)-alpha-amino-3-hydroxy-5-methyl-4-isooxazole-...)
Show SMILES Cc1o[nH]c(=O)c1CC(N)C(O)=O
Show InChI InChI=1/C7H10N2O4/c1-3-4(6(10)9-13-3)2-5(8)7(11)12/h5H,2,8H2,1H3,(H,9,10)(H,11,12)
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740n/an/an/an/an/an/an/an/a



The Danish University of Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Binding affinity of compound was determined towards cloned Ionotropic glutamate receptor ionotropic kainate 1 (GluR5) expressed in Sf 9 insect cells


J Med Chem 46: 2246-9 (2003)


Article DOI: 10.1021/jm020588f
BindingDB Entry DOI: 10.7270/Q26T0M06
More data for this
Ligand-Target Pair
Disks large homolog 4


(Homo sapiens (Human))
BDBM50339545
PNG
((4S,7S,10S,13S)-4-(2-carboxyethyl)-10-(carboxymeth...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NCCC1CCCCC1)[C@@H](C)O)C(O)=O
Show InChI InChI=1/C26H44N4O10/c1-14(2)21(26(39)40)29-24(37)18(13-20(34)35)28-25(38)22(15(3)31)30-23(36)17(9-10-19(32)33)27-12-11-16-7-5-4-6-8-16/h14-18,21-22,27,31H,4-13H2,1-3H3,(H,28,38)(H,29,37)(H,30,36)(H,32,33)(H,34,35)(H,39,40)/t15-,17+,18+,21+,22+/s2
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750n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of PSD-95 PDZ2 domain by competitive fluorescence polarization assay


J Med Chem 54: 1333-46 (2011)


Article DOI: 10.1021/jm1013924
BindingDB Entry DOI: 10.7270/Q2H13300
More data for this
Ligand-Target Pair
Disks large homolog 4


(Homo sapiens (Human))
BDBM50339569
PNG
((2S,5S,8S,11S)-11-(2-carboxyethyl)-14-(3,4-dichlor...)
Show SMILES CC(C)[C@H](NC(=S)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NCCc1ccc(Cl)c(Cl)c1)[C@@H](C)O)C(O)=O
Show InChI InChI=1/C25H36Cl2N4O7S/c1-12(2)20(25(37)38)31-24(39)13(3)29-23(36)21(14(4)32)30-22(35)18(7-8-19(33)34)28-10-9-15-5-6-16(26)17(27)11-15/h5-6,11-14,18,20-21,28,32H,7-10H2,1-4H3,(H,29,36)(H,30,35)(H,31,39)(H,33,34)(H,37,38)/t13-,14+,18-,20-,21-/s2
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1.00E+3n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of PSD-95 PDZ2 domain by competitive fluorescence polarization assay


J Med Chem 54: 1333-46 (2011)


Article DOI: 10.1021/jm1013924
BindingDB Entry DOI: 10.7270/Q2H13300
More data for this
Ligand-Target Pair
Disks large homolog 4


(Homo sapiens (Human))
BDBM50339568
PNG
((2S,5S,8S,11S)-11-(2-carboxyethyl)-8-((R)-1-hydrox...)
Show SMILES CC(C)[C@H](NC(=S)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NCCc1ccc2ccccc2c1)[C@@H](C)O)C(O)=O
Show InChI InChI=1/C29H40N4O7S/c1-16(2)24(29(39)40)33-28(41)17(3)31-27(38)25(18(4)34)32-26(37)22(11-12-23(35)36)30-14-13-19-9-10-20-7-5-6-8-21(20)15-19/h5-10,15-18,22,24-25,30,34H,11-14H2,1-4H3,(H,31,38)(H,32,37)(H,33,41)(H,35,36)(H,39,40)/t17-,18+,22-,24-,25-/s2
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1.10E+3n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of PSD-95 PDZ2 domain by competitive fluorescence polarization assay


J Med Chem 54: 1333-46 (2011)


Article DOI: 10.1021/jm1013924
BindingDB Entry DOI: 10.7270/Q2H13300
More data for this
Ligand-Target Pair
GRIA3


(RAT)
BDBM50295042
PNG
((S)-2-Amino-3-((RS)-3-hydroxy-8-methyl-7,8-dihydro...)
Show SMILES CC1CCC=C(C[C@H](N)C(O)=O)c2c1o[nH]c2=O
Show InChI InChI=1/C12H16N2O4/c1-6-3-2-4-7(5-8(13)12(16)17)9-10(6)18-14-11(9)15/h4,6,8H,2-3,5,13H2,1H3,(H,14,15)(H,16,17)/t6?,8-/s2
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1.11E+3n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]AMPA from rat recombinant GluR3 flop isoform expressed in baculovirus infected Sf9 cells


J Med Chem 52: 4911-22 (2009)

Checked by Author
Article DOI: 10.1021/jm900565c
BindingDB Entry DOI: 10.7270/Q2R49RP9
More data for this
Ligand-Target Pair
Disks large homolog 4


(Homo sapiens (Human))
BDBM50339555
PNG
((2S,5S,8S,11S)-11-(2-carboxyethyl)-14-cycloheptyl-...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NCCC1CCCCCC1)[C@@H](C)O)C(O)=O
Show InChI InChI=1/C26H46N4O8/c1-15(2)21(26(37)38)29-23(34)16(3)28-25(36)22(17(4)31)30-24(35)19(11-12-20(32)33)27-14-13-18-9-7-5-6-8-10-18/h15-19,21-22,27,31H,5-14H2,1-4H3,(H,28,36)(H,29,34)(H,30,35)(H,32,33)(H,37,38)/t16-,17+,19-,21-,22-/s2
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1.20E+3n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of PSD-95 PDZ2 domain by competitive fluorescence polarization assay


J Med Chem 54: 1333-46 (2011)


Article DOI: 10.1021/jm1013924
BindingDB Entry DOI: 10.7270/Q2H13300
More data for this
Ligand-Target Pair
Disks large homolog 4


(Homo sapiens (Human))
BDBM50339548
PNG
((2S,5S,8S,11S)-11-(2-carboxyethyl)-5-(carboxymethy...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NCCc1ccc(Cl)c(Cl)c1)[C@@H](C)O)C(O)=O
Show InChI InChI=1/C26H36Cl2N4O10/c1-12(2)21(26(41)42)31-24(39)18(11-20(36)37)30-25(40)22(13(3)33)32-23(38)17(6-7-19(34)35)29-9-8-14-4-5-15(27)16(28)10-14/h4-5,10,12-13,17-18,21-22,29,33H,6-9,11H2,1-3H3,(H,30,40)(H,31,39)(H,32,38)(H,34,35)(H,36,37)(H,41,42)/t13-,17+,18+,21+,22+/s2
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1.20E+3n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of PSD-95 PDZ2 domain by competitive fluorescence polarization assay


J Med Chem 54: 1333-46 (2011)


Article DOI: 10.1021/jm1013924
BindingDB Entry DOI: 10.7270/Q2H13300
More data for this
Ligand-Target Pair
Disks large homolog 4


(Homo sapiens (Human))
BDBM50339552
PNG
((3S,6S,9S,12S)-1-(bicyclo[2.2.1]heptan-2-yl)-3-(2-...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NCC1CC2CCC1C2)[C@@H](C)O)C(O)=O
Show InChI InChI=1/C25H42N4O8/c1-12(2)20(25(36)37)28-22(33)13(3)27-24(35)21(14(4)30)29-23(34)18(7-8-19(31)32)26-11-17-10-15-5-6-16(17)9-15/h12-18,20-21,26,30H,5-11H2,1-4H3,(H,27,35)(H,28,33)(H,29,34)(H,31,32)(H,36,37)/t13-,14+,15?,16?,17?,18-,20-,21-/s2
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1.30E+3n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of PSD-95 PDZ2 domain by competitive fluorescence polarization assay


J Med Chem 54: 1333-46 (2011)


Article DOI: 10.1021/jm1013924
BindingDB Entry DOI: 10.7270/Q2H13300
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, kainate


(Rattus norvegicus)
BDBM50295042
PNG
((S)-2-Amino-3-((RS)-3-hydroxy-8-methyl-7,8-dihydro...)
Show SMILES CC1CCC=C(C[C@H](N)C(O)=O)c2c1o[nH]c2=O
Show InChI InChI=1/C12H16N2O4/c1-6-3-2-4-7(5-8(13)12(16)17)9-10(6)18-14-11(9)15/h4,6,8H,2-3,5,13H2,1H3,(H,14,15)(H,16,17)/t6?,8-/s2
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1.38E+3n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]SYM from rat recombinant GluR7A expressed in baculovirus infected Sf9 cells


J Med Chem 52: 4911-22 (2009)

Checked by Author
Article DOI: 10.1021/jm900565c
BindingDB Entry DOI: 10.7270/Q2R49RP9
More data for this
Ligand-Target Pair
Disks large homolog 4


(Homo sapiens (Human))
BDBM50339554
PNG
((3S,6S,9S,12S)-3-(2-carboxyethyl)-1-cycloheptyl-6-...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NCC1CCCCCC1)[C@@H](C)O)C(O)=O
Show InChI InChI=1/C25H44N4O8/c1-14(2)20(25(36)37)28-22(33)15(3)27-24(35)21(16(4)30)29-23(34)18(11-12-19(31)32)26-13-17-9-7-5-6-8-10-17/h14-18,20-21,26,30H,5-13H2,1-4H3,(H,27,35)(H,28,33)(H,29,34)(H,31,32)(H,36,37)/t15-,16+,18-,20-,21-/s2
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1.40E+3n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of PSD-95 PDZ2 domain by competitive fluorescence polarization assay


J Med Chem 54: 1333-46 (2011)


Article DOI: 10.1021/jm1013924
BindingDB Entry DOI: 10.7270/Q2H13300
More data for this
Ligand-Target Pair
Disks large homolog 4


(Homo sapiens (Human))
BDBM50339553
PNG
((2S,5S,8S,11S)-14-(bicyclo[2.2.1]heptan-2-yl)-11-(...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NCCC1CC2CCC1C2)[C@@H](C)O)C(O)=O
Show InChI InChI=1/C26H44N4O8/c1-13(2)21(26(37)38)29-23(34)14(3)28-25(36)22(15(4)31)30-24(35)19(7-8-20(32)33)27-10-9-18-12-16-5-6-17(18)11-16/h13-19,21-22,27,31H,5-12H2,1-4H3,(H,28,36)(H,29,34)(H,30,35)(H,32,33)(H,37,38)/t14-,15+,16?,17?,18?,19-,21-,22-/s2
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1.50E+3n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of PSD-95 PDZ2 domain by competitive fluorescence polarization assay


J Med Chem 54: 1333-46 (2011)


Article DOI: 10.1021/jm1013924
BindingDB Entry DOI: 10.7270/Q2H13300
More data for this
Ligand-Target Pair
Glutamate receptor 1 (GluA1)


(Rattus norvegicus (Rat))
BDBM50295042
PNG
((S)-2-Amino-3-((RS)-3-hydroxy-8-methyl-7,8-dihydro...)
Show SMILES CC1CCC=C(C[C@H](N)C(O)=O)c2c1o[nH]c2=O
Show InChI InChI=1/C12H16N2O4/c1-6-3-2-4-7(5-8(13)12(16)17)9-10(6)18-14-11(9)15/h4,6,8H,2-3,5,13H2,1H3,(H,14,15)(H,16,17)/t6?,8-/s2
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1.55E+3n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]AMPA from rat recombinant GluR1 flop isoform expressed in baculovirus infected Sf9 cells


J Med Chem 52: 4911-22 (2009)

Checked by Author
Article DOI: 10.1021/jm900565c
BindingDB Entry DOI: 10.7270/Q2R49RP9
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, AMPA 2


(Rattus norvegicus)
BDBM50126763
PNG
((S)-2-amino-3-(3-hydroxy-5-tert-butyl-4-isoxazolyl...)
Show SMILES CC(C)(C)c1o[nH]c(=O)c1C[C@H](N)C(O)=O
Show InChI InChI=1S/C10H16N2O4/c1-10(2,3)7-5(8(13)12-16-7)4-6(11)9(14)15/h6H,4,11H2,1-3H3,(H,12,13)(H,14,15)/t6-/m0/s1
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1.66E+3n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]AMPA from rat recombinant GluR2(R) RNA-edited flop isoform expressed in baculovirus infected Sf9 cells


J Med Chem 52: 4911-22 (2009)

Checked by Author
Article DOI: 10.1021/jm900565c
BindingDB Entry DOI: 10.7270/Q2R49RP9
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, AMPA 4


(Rattus norvegicus)
BDBM50107595
PNG
((S)-1-(2-Amino-2-carboxyethyl)-6,7-dihydro-1H-cycl...)
Show SMILES N[C@@H](Cn1c2CCCc2c(=O)[nH]c1=O)C(O)=O
Show InChI InChI=1/C10H13N3O4/c11-6(9(15)16)4-13-7-3-1-2-5(7)8(14)12-10(13)17/h6H,1-4,11H2,(H,15,16)(H,12,14,17)/t6-/s2
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1.76E+3n/an/an/an/an/an/an/an/a



Universita' degli Studi di Siena

Curated by ChEMBL


Assay Description
Binding affinity towards GluR4 receptor from rat brain


J Med Chem 44: 4501-4 (2001)


Article DOI: 10.1021/jm015552m
BindingDB Entry DOI: 10.7270/Q2MC8Z9N
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Disks large homolog 4


(Homo sapiens (Human))
BDBM50339547
PNG
((2S,5S,8S,11S)-11-(2-carboxyethyl)-5-(carboxymethy...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NCCc1ccc2ccccc2c1)[C@@H](C)O)C(O)=O
Show InChI InChI=1/C30H40N4O10/c1-16(2)25(30(43)44)33-28(41)22(15-24(38)39)32-29(42)26(17(3)35)34-27(40)21(10-11-23(36)37)31-13-12-18-8-9-19-6-4-5-7-20(19)14-18/h4-9,14,16-17,21-22,25-26,31,35H,10-13,15H2,1-3H3,(H,32,42)(H,33,41)(H,34,40)(H,36,37)(H,38,39)(H,43,44)/t17-,21+,22+,25+,26+/s2
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1.80E+3n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of PSD-95 PDZ2 domain by competitive fluorescence polarization assay


J Med Chem 54: 1333-46 (2011)


Article DOI: 10.1021/jm1013924
BindingDB Entry DOI: 10.7270/Q2H13300
More data for this
Ligand-Target Pair
Disks large homolog 4


(Homo sapiens (Human))
BDBM50339556
PNG
((2S,5S,8S,11S)-11-(2-carboxyethyl)-8-((R)-1-hydrox...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NCCc1ccc(F)c(F)c1F)[C@@H](C)O)C(O)=O
Show InChI InChI=1/C25H35F3N4O8/c1-11(2)20(25(39)40)31-22(36)12(3)30-24(38)21(13(4)33)32-23(37)16(7-8-17(34)35)29-10-9-14-5-6-15(26)19(28)18(14)27/h5-6,11-13,16,20-21,29,33H,7-10H2,1-4H3,(H,30,38)(H,31,36)(H,32,37)(H,34,35)(H,39,40)/t12-,13+,16-,20-,21-/s2
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1.80E+3n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of PSD-95 PDZ2 domain by competitive fluorescence polarization assay


J Med Chem 54: 1333-46 (2011)


Article DOI: 10.1021/jm1013924
BindingDB Entry DOI: 10.7270/Q2H13300
More data for this
Ligand-Target Pair
GRIA3


(RAT)
BDBM50126763
PNG
((S)-2-amino-3-(3-hydroxy-5-tert-butyl-4-isoxazolyl...)
Show SMILES CC(C)(C)c1o[nH]c(=O)c1C[C@H](N)C(O)=O
Show InChI InChI=1S/C10H16N2O4/c1-10(2,3)7-5(8(13)12-16-7)4-6(11)9(14)15/h6H,4,11H2,1-3H3,(H,12,13)(H,14,15)/t6-/m0/s1
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2.04E+3n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]AMPA from rat recombinant GluR3 flop isoform expressed in baculovirus infected Sf9 cells


J Med Chem 52: 4911-22 (2009)

Checked by Author
Article DOI: 10.1021/jm900565c
BindingDB Entry DOI: 10.7270/Q2R49RP9
More data for this
Ligand-Target Pair
Disks large homolog 4


(Homo sapiens (Human))
BDBM50339551
PNG
((S)-2-[(S)-2-((2S,3R)-2-{(S)-2-[(Adamantan-1-ylmet...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NCC12CC3CC(CC(C3)C1)C2)[C@@H](C)O)C(O)=O
Show InChI InChI=1/C28H46N4O8/c1-14(2)22(27(39)40)31-24(36)15(3)30-26(38)23(16(4)33)32-25(37)20(5-6-21(34)35)29-13-28-10-17-7-18(11-28)9-19(8-17)12-28/h14-20,22-23,29,33H,5-13H2,1-4H3,(H,30,38)(H,31,36)(H,32,37)(H,34,35)(H,39,40)/t15-,16+,17?,18?,19?,20-,22-,23-,28?/s2
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2.10E+3n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of PSD-95 PDZ2 domain by competitive fluorescence polarization assay


J Med Chem 54: 1333-46 (2011)


Article DOI: 10.1021/jm1013924
BindingDB Entry DOI: 10.7270/Q2H13300
More data for this
Ligand-Target Pair
GRIA3


(RAT)
BDBM50107595
PNG
((S)-1-(2-Amino-2-carboxyethyl)-6,7-dihydro-1H-cycl...)
Show SMILES N[C@@H](Cn1c2CCCc2c(=O)[nH]c1=O)C(O)=O
Show InChI InChI=1/C10H13N3O4/c11-6(9(15)16)4-13-7-3-1-2-5(7)8(14)12-10(13)17/h6H,1-4,11H2,(H,15,16)(H,12,14,17)/t6-/s2
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PubMed
2.14E+3n/an/an/an/an/an/an/an/a



Universita' degli Studi di Siena

Curated by ChEMBL


Assay Description
Binding affinity towards Ionotropic glutamate receptor AMPA 3 from rat brain


J Med Chem 44: 4501-4 (2001)


Article DOI: 10.1021/jm015552m
BindingDB Entry DOI: 10.7270/Q2MC8Z9N
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glutamate receptor ionotropic, AMPA 4


(Rattus norvegicus)
BDBM50126763
PNG
((S)-2-amino-3-(3-hydroxy-5-tert-butyl-4-isoxazolyl...)
Show SMILES CC(C)(C)c1o[nH]c(=O)c1C[C@H](N)C(O)=O
Show InChI InChI=1S/C10H16N2O4/c1-10(2,3)7-5(8(13)12-16-7)4-6(11)9(14)15/h6H,4,11H2,1-3H3,(H,12,13)(H,14,15)/t6-/m0/s1
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2.14E+3n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]AMPA from rat recombinant GluR4 flop isoform expressed in baculovirus infected Sf9 cells


J Med Chem 52: 4911-22 (2009)

Checked by Author
Article DOI: 10.1021/jm900565c
BindingDB Entry DOI: 10.7270/Q2R49RP9
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, AMPA 4


(Rattus norvegicus)
BDBM50295042
PNG
((S)-2-Amino-3-((RS)-3-hydroxy-8-methyl-7,8-dihydro...)
Show SMILES CC1CCC=C(C[C@H](N)C(O)=O)c2c1o[nH]c2=O
Show InChI InChI=1/C12H16N2O4/c1-6-3-2-4-7(5-8(13)12(16)17)9-10(6)18-14-11(9)15/h4,6,8H,2-3,5,13H2,1H3,(H,14,15)(H,16,17)/t6?,8-/s2
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2.20E+3n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]AMPA from rat recombinant GluR4 flop isoform expressed in baculovirus infected Sf9 cells


J Med Chem 52: 4911-22 (2009)

Checked by Author
Article DOI: 10.1021/jm900565c
BindingDB Entry DOI: 10.7270/Q2R49RP9
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, kainate


(Rattus norvegicus)
BDBM50126763
PNG
((S)-2-amino-3-(3-hydroxy-5-tert-butyl-4-isoxazolyl...)
Show SMILES CC(C)(C)c1o[nH]c(=O)c1C[C@H](N)C(O)=O
Show InChI InChI=1S/C10H16N2O4/c1-10(2,3)7-5(8(13)12-16-7)4-6(11)9(14)15/h6H,4,11H2,1-3H3,(H,12,13)(H,14,15)/t6-/m0/s1
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2.53E+3n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]SYM from rat recombinant GluR7A expressed in baculovirus infected Sf9 cells


J Med Chem 52: 4911-22 (2009)

Checked by Author
Article DOI: 10.1021/jm900565c
BindingDB Entry DOI: 10.7270/Q2R49RP9
More data for this
Ligand-Target Pair
Glutamate receptor 1 (GluA1)


(Rattus norvegicus (Rat))
BDBM50126763
PNG
((S)-2-amino-3-(3-hydroxy-5-tert-butyl-4-isoxazolyl...)
Show SMILES CC(C)(C)c1o[nH]c(=O)c1C[C@H](N)C(O)=O
Show InChI InChI=1S/C10H16N2O4/c1-10(2,3)7-5(8(13)12-16-7)4-6(11)9(14)15/h6H,4,11H2,1-3H3,(H,12,13)(H,14,15)/t6-/m0/s1
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2.78E+3n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]AMPA from rat recombinant GluR1 flop isoform expressed in baculovirus infected Sf9 cells


J Med Chem 52: 4911-22 (2009)

Checked by Author
Article DOI: 10.1021/jm900565c
BindingDB Entry DOI: 10.7270/Q2R49RP9
More data for this
Ligand-Target Pair
Disks large homolog 4


(Homo sapiens (Human))
BDBM50339539
PNG
((4S,7S,10S,13S)-10-(carboxymethyl)-1-cyclohexyl-7-...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](C)NCCC1CCCCC1)[C@@H](C)O)C(O)=O
Show InChI InChI=1/C24H42N4O8/c1-13(2)19(24(35)36)27-22(33)17(12-18(30)31)26-23(34)20(15(4)29)28-21(32)14(3)25-11-10-16-8-6-5-7-9-16/h13-17,19-20,25,29H,5-12H2,1-4H3,(H,26,34)(H,27,33)(H,28,32)(H,30,31)(H,35,36)/t14-,15+,17-,19-,20-/s2
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3.60E+3n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of PSD-95 PDZ2 domain by competitive fluorescence polarization assay


J Med Chem 54: 1333-46 (2011)


Article DOI: 10.1021/jm1013924
BindingDB Entry DOI: 10.7270/Q2H13300
More data for this
Ligand-Target Pair
Disks large homolog 4


(Homo sapiens (Human))
BDBM50339557
PNG
((2S,5S,8S,11S)-11-(2-carboxyethyl)-8-((R)-1-hydrox...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NCCCc1ccc(F)c(F)c1F)[C@@H](C)O)C(O)=O
Show InChI InChI=1/C26H37F3N4O8/c1-12(2)21(26(40)41)32-23(37)13(3)31-25(39)22(14(4)34)33-24(38)17(9-10-18(35)36)30-11-5-6-15-7-8-16(27)20(29)19(15)28/h7-8,12-14,17,21-22,30,34H,5-6,9-11H2,1-4H3,(H,31,39)(H,32,37)(H,33,38)(H,35,36)(H,40,41)/t13-,14+,17-,21-,22-/s2
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4.20E+3n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of PSD-95 PDZ2 domain by competitive fluorescence polarization assay


J Med Chem 54: 1333-46 (2011)


Article DOI: 10.1021/jm1013924
BindingDB Entry DOI: 10.7270/Q2H13300
More data for this
Ligand-Target Pair
Disks large homolog 4


(Homo sapiens (Human))
BDBM50339546
PNG
((4S,7S,10S,13S)-4-(3-amino-3-oxopropyl)-10-(carbox...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NCCC1CCCCC1)[C@@H](C)O)C(O)=O
Show InChI InChI=1/C26H45N5O9/c1-14(2)21(26(39)40)30-24(37)18(13-20(34)35)29-25(38)22(15(3)32)31-23(36)17(9-10-19(27)33)28-12-11-16-7-5-4-6-8-16/h14-18,21-22,28,32H,4-13H2,1-3H3,(H2,27,33)(H,29,38)(H,30,37)(H,31,36)(H,34,35)(H,39,40)/t15-,17+,18+,21+,22+/s2
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4.40E+3n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of PSD-95 PDZ2 domain by competitive fluorescence polarization assay


J Med Chem 54: 1333-46 (2011)


Article DOI: 10.1021/jm1013924
BindingDB Entry DOI: 10.7270/Q2H13300
More data for this
Ligand-Target Pair
Disks large homolog 4


(Homo sapiens (Human))
BDBM50253145
PNG
(CHEMBL502630 | YGRKKRRQRRR-KLSSIESDV)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(O)=O
Show InChI InChI=1/C105H188N42O30/c1-7-55(6)80(98(175)140-69(34-36-77(154)155)92(169)143-72(50-148)95(172)142-71(48-78(156)157)94(171)146-79(54(4)5)99(176)177)147-97(174)74(52-150)145-96(173)73(51-149)144-93(170)70(46-53(2)3)141-90(167)62(22-10-13-39-108)133-85(162)63(24-15-41-124-101(113)114)135-87(164)65(26-17-43-126-103(117)118)136-88(165)66(27-18-44-127-104(119)120)138-91(168)68(33-35-75(110)152)139-89(166)67(28-19-45-128-105(121)122)137-86(163)64(25-16-42-125-102(115)116)134-84(161)61(21-9-12-38-107)132-83(160)60(20-8-11-37-106)131-82(159)59(23-14-40-123-100(111)112)130-76(153)49-129-81(158)58(109)47-56-29-31-57(151)32-30-56/h29-32,53-55,58-74,79-80,148-151H,7-28,33-52,106-109H2,1-6H3,(H2,110,152)(H,129,158)(H,130,153)(H,131,159)(H,132,160)(H,133,162)(H,134,161)(H,135,164)(H,136,165)(H,137,163)(H,138,168)(H,139,166)(H,140,175)(H,141,167)(H,142,172)(H,143,169)(H,144,170)(H,145,173)(H,146,171)(H,147,174)(H,154,155)(H,156,157)(H,176,177)(H4,111,112,123)(H4,113,114,124)(H4,115,116,125)(H4,117,118,126)(H4,119,120,127)(H4,121,122,128)/t55-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,79-,80-/s2
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4.40E+3n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of PSD-95 PDZ2 domain by competitive fluorescence polarization assay


J Med Chem 54: 1333-46 (2011)


Article DOI: 10.1021/jm1013924
BindingDB Entry DOI: 10.7270/Q2H13300
More data for this
Ligand-Target Pair
GRIK1


(Homo sapiens (Human))
BDBM50017244
PNG
((R,S)-2-amino-3-(4-bromo-3-hydroxy-5-isoxazolyl)pr...)
Show SMILES NC(Cc1o[nH]c(=O)c1Br)C(O)=O
Show InChI InChI=1/C6H7BrN2O4/c7-4-3(13-9-5(4)10)1-2(8)6(11)12/h2H,1,8H2,(H,9,10)(H,11,12)
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4.80E+3n/an/an/an/an/an/an/an/a



The Danish University of Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Binding affinity of compound was determined towards cloned Ionotropic glutamate receptor ionotropic kainate 1 (GluR5) expressed in Sf 9 insect cells


J Med Chem 46: 2246-9 (2003)


Article DOI: 10.1021/jm020588f
BindingDB Entry DOI: 10.7270/Q26T0M06
More data for this
Ligand-Target Pair
Disks large homolog 4


(Homo sapiens (Human))
BDBM50339558
PNG
((2S,5S,8S,11S)-11-(2-carboxyethyl)-8-((R)-1-hydrox...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NCCCc1ccc2ccccc2c1)[C@@H](C)O)C(O)=O
Show InChI InChI=1/C30H42N4O8/c1-17(2)25(30(41)42)33-27(38)18(3)32-29(40)26(19(4)35)34-28(39)23(13-14-24(36)37)31-15-7-8-20-11-12-21-9-5-6-10-22(21)16-20/h5-6,9-12,16-19,23,25-26,31,35H,7-8,13-15H2,1-4H3,(H,32,40)(H,33,38)(H,34,39)(H,36,37)(H,41,42)/t18-,19+,23-,25-,26-/s2
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5.00E+3n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of PSD-95 PDZ2 domain by competitive fluorescence polarization assay


J Med Chem 54: 1333-46 (2011)


Article DOI: 10.1021/jm1013924
BindingDB Entry DOI: 10.7270/Q2H13300
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, AMPA 2


(Rattus norvegicus)
BDBM50295042
PNG
((S)-2-Amino-3-((RS)-3-hydroxy-8-methyl-7,8-dihydro...)
Show SMILES CC1CCC=C(C[C@H](N)C(O)=O)c2c1o[nH]c2=O
Show InChI InChI=1/C12H16N2O4/c1-6-3-2-4-7(5-8(13)12(16)17)9-10(6)18-14-11(9)15/h4,6,8H,2-3,5,13H2,1H3,(H,14,15)(H,16,17)/t6?,8-/s2
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6.31E+3n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]AMPA from rat recombinant GluR2(R) RNA-edited flop isoform expressed in baculovirus infected Sf9 cells


J Med Chem 52: 4911-22 (2009)

Checked by Author
Article DOI: 10.1021/jm900565c
BindingDB Entry DOI: 10.7270/Q2R49RP9
More data for this
Ligand-Target Pair
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