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Compile Data Set for Download or QSAR

Found 21 hits of ic50 for UniProtKB: P22756   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Glutamate receptor ionotropic, kainate 1


(RAT)
BDBM50399430
PNG
(CHEMBL2178920)
Show SMILES NCCCNCCCCNCCC(=O)NCCCCCNC(=O)[C@H](CC(N)=O)NC(=O)Cc1c[nH]c2cccc(O)c12 |r|
Show InChI InChI=1S/C29H48N8O5/c30-11-7-14-32-12-4-5-13-33-17-10-26(40)34-15-2-1-3-16-35-29(42)23(19-25(31)39)37-27(41)18-21-20-36-22-8-6-9-24(38)28(21)22/h6,8-9,20,23,32-33,36,38H,1-5,7,10-19,30H2,(H2,31,39)(H,34,40)(H,35,42)(H,37,41)/t23-/m0/s1
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n/an/a 0.190n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at rat GluK1 receptor expressed in Xenopus oocytes by two-electrode voltage-clamp at membrane potential -60 to -80 mV electrophys...


J Med Chem 55: 10297-301 (2012)


Article DOI: 10.1021/jm301255m
BindingDB Entry DOI: 10.7270/Q27S7PXR
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, kainate 1


(RAT)
BDBM50399431
PNG
(CHEMBL2178919)
Show SMILES NCCCNCCCCNCCC(=O)NCCCCCNC(=O)[C@H](CC(N)=O)NC(=O)Cc1c[nH]c2ccccc12 |r|
Show InChI InChI=1S/C29H48N8O4/c30-12-8-15-32-13-6-7-14-33-18-11-27(39)34-16-4-1-5-17-35-29(41)25(20-26(31)38)37-28(40)19-22-21-36-24-10-3-2-9-23(22)24/h2-3,9-10,21,25,32-33,36H,1,4-8,11-20,30H2,(H2,31,38)(H,34,39)(H,35,41)(H,37,40)/t25-/m0/s1
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n/an/a 0.280n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at rat GluK1 receptor expressed in Xenopus oocytes by two-electrode voltage-clamp at membrane potential -60 to -80 mV electrophys...


J Med Chem 55: 10297-301 (2012)


Article DOI: 10.1021/jm301255m
BindingDB Entry DOI: 10.7270/Q27S7PXR
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, kainate 1


(RAT)
BDBM50399430
PNG
(CHEMBL2178920)
Show SMILES NCCCNCCCCNCCC(=O)NCCCCCNC(=O)[C@H](CC(N)=O)NC(=O)Cc1c[nH]c2cccc(O)c12 |r|
Show InChI InChI=1S/C29H48N8O5/c30-11-7-14-32-12-4-5-13-33-17-10-26(40)34-15-2-1-3-16-35-29(42)23(19-25(31)39)37-27(41)18-21-20-36-22-8-6-9-24(38)28(21)22/h6,8-9,20,23,32-33,36,38H,1-5,7,10-19,30H2,(H2,31,39)(H,34,40)(H,35,42)(H,37,41)/t23-/m0/s1
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n/an/a 0.330n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at rat GluK1 receptor expressed in Xenopus oocytes at membrane potential -60 mV by two-electrode voltage-clamp electrophysiology ...


J Med Chem 55: 10297-301 (2012)


Article DOI: 10.1021/jm301255m
BindingDB Entry DOI: 10.7270/Q27S7PXR
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, kainate 1


(RAT)
BDBM50399431
PNG
(CHEMBL2178919)
Show SMILES NCCCNCCCCNCCC(=O)NCCCCCNC(=O)[C@H](CC(N)=O)NC(=O)Cc1c[nH]c2ccccc12 |r|
Show InChI InChI=1S/C29H48N8O4/c30-12-8-15-32-13-6-7-14-33-18-11-27(39)34-16-4-1-5-17-35-29(41)25(20-26(31)38)37-28(40)19-22-21-36-24-10-3-2-9-23(22)24/h2-3,9-10,21,25,32-33,36H,1,4-8,11-20,30H2,(H2,31,38)(H,34,39)(H,35,41)(H,37,40)/t25-/m0/s1
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n/an/a 0.820n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at rat GluK1 receptor expressed in Xenopus oocytes at membrane potential -60 mV by two-electrode voltage-clamp electrophysiology ...


J Med Chem 55: 10297-301 (2012)


Article DOI: 10.1021/jm301255m
BindingDB Entry DOI: 10.7270/Q27S7PXR
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, kainate 1


(RAT)
BDBM50252920
PNG
((S)-1-[2'-Amino-2'-carboxyethyl]-5,7-dihydrothieno...)
Show SMILES N[C@@H](Cn1c2CSCc2c(=O)[nH]c1=O)C(O)=O |r|
Show InChI InChI=1S/C9H11N3O4S/c10-5(8(14)15)1-12-6-3-17-2-4(6)7(13)11-9(12)16/h5H,1-3,10H2,(H,14,15)(H,11,13,16)/t5-/m0/s1
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n/an/a 5.20n/an/an/an/an/an/a



European Research Centre for Drug Discovery and Development (NatSynDrugs)

Curated by ChEMBL


Assay Description
Displacement of [3H]SYM2081 from rat recombinant iGluR5(Q)1b expressed in Sf9 cells


J Med Chem 51: 6614-8 (2008)


Article DOI: 10.1021/jm800865a
BindingDB Entry DOI: 10.7270/Q261117R
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, kainate 1


(RAT)
BDBM50252922
PNG
((S)-1-(2'-Amino-2'-carboxyethyl)thieno[3,2-d]pyrim...)
Show SMILES N[C@@H](Cn1c2ccsc2c(=O)[nH]c1=O)C(O)=O |r|
Show InChI InChI=1S/C9H9N3O4S/c10-4(8(14)15)3-12-5-1-2-17-6(5)7(13)11-9(12)16/h1-2,4H,3,10H2,(H,14,15)(H,11,13,16)/t4-/m0/s1
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n/an/a 5.30n/an/an/an/an/an/a



European Research Centre for Drug Discovery and Development (NatSynDrugs)

Curated by ChEMBL


Assay Description
Displacement of [3H]SYM2081 from rat recombinant iGluR5(Q)1b expressed in Sf9 cells


J Med Chem 51: 6614-8 (2008)


Article DOI: 10.1021/jm800865a
BindingDB Entry DOI: 10.7270/Q261117R
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, kainate 1


(RAT)
BDBM50105843
PNG
(2-Amino-N-{3-[4-(3-amino-propylamino)-butylamino]-...)
Show SMILES NCCCNCCCCNCCC(=O)NCCCCCNC(=O)[C@H](CC(N)=O)NC(=O)Cc1ccc(O)cc1O
Show InChI InChI=1S/C27H47N7O6/c28-10-6-13-30-11-4-5-12-31-16-9-25(38)32-14-2-1-3-15-33-27(40)22(19-24(29)37)34-26(39)17-20-7-8-21(35)18-23(20)36/h7-8,18,22,30-31,35-36H,1-6,9-17,19,28H2,(H2,29,37)(H,32,38)(H,33,40)(H,34,39)/t22-/m0/s1
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n/an/a 19n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at rat GluK1 receptor expressed in Xenopus oocytes at membrane potential -60 mV by two-electrode voltage-clamp electrophysiology ...


J Med Chem 55: 10297-301 (2012)


Article DOI: 10.1021/jm301255m
BindingDB Entry DOI: 10.7270/Q27S7PXR
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, kainate 1


(RAT)
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=1S/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-/m0/s1
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n/an/a 77n/an/an/an/an/an/a



Universit£ degli Studi di Urbino Carlo Bo

Curated by ChEMBL


Assay Description
Inhibitory concentration against human Adenosine A3 receptor expressed in HEK293 cells using 0.1 nM [3H]AB-MECA


J Med Chem 48: 6887-96 (2005)


Article DOI: 10.1021/jm058018d
BindingDB Entry DOI: 10.7270/Q28C9X1X
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glutamate receptor ionotropic, kainate 1


(RAT)
BDBM50399433
PNG
(CHEMBL2178917)
Show SMILES [#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6]-[#6]-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6]-c1ccc(-[#8])cc1-[#8] |r|
Show InChI InChI=1S/C30H52N10O7/c31-22(7-6-15-39-30(33)34)28(46)37-14-5-4-11-35-16-10-26(44)36-12-2-1-3-13-38-29(47)23(19-25(32)43)40-27(45)17-20-8-9-21(41)18-24(20)42/h8-9,18,22-23,35,41-42H,1-7,10-17,19,31H2,(H2,32,43)(H,36,44)(H,37,46)(H,38,47)(H,40,45)(H4,33,34,39)/t22-,23-/m0/s1
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n/an/a 164n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at rat GluK1 receptor expressed in Xenopus oocytes at membrane potential -60 mV by two-electrode voltage-clamp electrophysiology ...


J Med Chem 55: 10297-301 (2012)


Article DOI: 10.1021/jm301255m
BindingDB Entry DOI: 10.7270/Q27S7PXR
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, kainate 1


(RAT)
BDBM50399432
PNG
(CHEMBL2178918)
Show SMILES [#6]-[#6@H](-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6]-[#6]-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6]-c1ccc(-[#8])cc1-[#8] |r|
Show InChI InChI=1S/C35H60N12O9/c1-22(46-31(53)21-45-33(55)25(36)8-7-16-44-35(38)39)32(54)42-15-6-5-12-40-17-11-29(51)41-13-3-2-4-14-43-34(56)26(20-28(37)50)47-30(52)18-23-9-10-24(48)19-27(23)49/h9-10,19,22,25-26,40,48-49H,2-8,11-18,20-21,36H2,1H3,(H2,37,50)(H,41,51)(H,42,54)(H,43,56)(H,45,55)(H,46,53)(H,47,52)(H4,38,39,44)/t22-,25-,26-/m0/s1
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n/an/a 2.58E+3n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at rat GluK1 receptor expressed in Xenopus oocytes at membrane potential -60 mV by two-electrode voltage-clamp electrophysiology ...


J Med Chem 55: 10297-301 (2012)


Article DOI: 10.1021/jm301255m
BindingDB Entry DOI: 10.7270/Q27S7PXR
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, kainate 1


(RAT)
BDBM50234094
PNG
(CHEMBL4089715)
Show SMILES Cl.OC(=O)[C@@H]1C[C@H](CN1)Oc1ccccc1C(O)=O |r|
Show InChI InChI=1S/C12H13NO5.ClH/c14-11(15)8-3-1-2-4-10(8)18-7-5-9(12(16)17)13-6-7;/h1-4,7,9,13H,5-6H2,(H,14,15)(H,16,17);1H/t7-,9+;/m1./s1
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n/an/a 5.70E+3n/an/an/an/an/an/a



McGill University

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant rat full length GluK1 receptor expressed in HEK293T cells assessed as inhibition of glutamate induced increase in ...


J Med Chem 60: 441-457 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01516
BindingDB Entry DOI: 10.7270/Q2G44SJJ
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, kainate 1


(RAT)
BDBM50175229
PNG
(6-(4-amino-phenyl)-2,3,8,10-tetrahydro-1,4-dioxa-7...)
Show SMILES Nc1ccc(cc1)C1=NNC(=O)Cc2cc3OCCOc3cc12 |t:8|
Show InChI InChI=1S/C17H15N3O3/c18-12-3-1-10(2-4-12)17-13-9-15-14(22-5-6-23-15)7-11(13)8-16(21)19-20-17/h1-4,7,9H,5-6,8,18H2,(H,19,21)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Università di Messina

Curated by ChEMBL


Assay Description
Ability to inhibit domoic acid-induced increase of calcium in rat HEK293 cells expressing GluR5


Bioorg Med Chem Lett 16: 167-70 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.029
BindingDB Entry DOI: 10.7270/Q2P84BF2
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, kainate 1


(RAT)
BDBM50109653
PNG
(2-Amino-3-[3-hydroxy-4-(4-hydroxy-phenyl)-isoxazol...)
Show SMILES N[C@@H](Cc1o[nH]c(=O)c1-c1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C12H12N2O5/c13-8(12(17)18)5-9-10(11(16)14-19-9)6-1-3-7(15)4-2-6/h1-4,8,15H,5,13H2,(H,14,16)(H,17,18)/t8-/m0/s1
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The Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
Concentration of the compound which causes 50% reduction in receptor binding affinity against Ionotropic glutamate receptor ionotropic kainate using ...


J Med Chem 45: 988-91 (2002)


BindingDB Entry DOI: 10.7270/Q2M32V27
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, kainate 1


(RAT)
BDBM50109654
PNG
(2-Amino-3-(3-hydroxy-4-pyridin-2-yl-isoxazol-5-yl)...)
Show SMILES N[C@@H](Cc1o[nH]c(=O)c1-c1ccccn1)C(O)=O
Show InChI InChI=1S/C11H11N3O4/c12-6(11(16)17)5-8-9(10(15)14-18-8)7-3-1-2-4-13-7/h1-4,6H,5,12H2,(H,14,15)(H,16,17)/t6-/m0/s1
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The Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
Concentration of the compound which causes 50% reduction in receptor binding affinity against Ionotropic glutamate receptor ionotropic kainate using ...


J Med Chem 45: 988-91 (2002)


BindingDB Entry DOI: 10.7270/Q2M32V27
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, kainate 1


(RAT)
BDBM50109658
PNG
(2-Amino-3-(3-hydroxy-4-phenethyl-isoxazol-5-yl)-pr...)
Show SMILES N[C@@H](Cc1o[nH]c(=O)c1CCc1ccccc1)C(O)=O
Show InChI InChI=1S/C14H16N2O4/c15-11(14(18)19)8-12-10(13(17)16-20-12)7-6-9-4-2-1-3-5-9/h1-5,11H,6-8,15H2,(H,16,17)(H,18,19)/t11-/m0/s1
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The Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
Concentration of the compound which causes 50% reduction in receptor binding affinity against Ionotropic glutamate receptor ionotropic kainate using ...


J Med Chem 45: 988-91 (2002)


BindingDB Entry DOI: 10.7270/Q2M32V27
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, kainate 1


(RAT)
BDBM50089901
PNG
(2-Amino-3-(3-hydroxy-isoxazol-5-yl)-propionic acid...)
Show SMILES N[C@@H](Cc1cc(=O)[nH]o1)C(O)=O
Show InChI InChI=1S/C6H8N2O4/c7-4(6(10)11)1-3-2-5(9)8-12-3/h2,4H,1,7H2,(H,8,9)(H,10,11)/t4-/m0/s1
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The Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
Concentration of the compound which causes 50% reduction in receptor binding affinity against Ionotropic glutamate receptor ionotropic kainate using ...


J Med Chem 45: 988-91 (2002)


BindingDB Entry DOI: 10.7270/Q2M32V27
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, kainate 1


(RAT)
BDBM50109652
PNG
(2-Amino-3-[3-hydroxy-4-(3-hydroxy-phenyl)-isoxazol...)
Show SMILES N[C@@H](Cc1o[nH]c(=O)c1-c1cccc(O)c1)C(O)=O
Show InChI InChI=1S/C12H12N2O5/c13-8(12(17)18)5-9-10(11(16)14-19-9)6-2-1-3-7(15)4-6/h1-4,8,15H,5,13H2,(H,14,16)(H,17,18)/t8-/m0/s1
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The Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
Concentration of the compound which causes 50% reduction in receptor binding affinity against Ionotropic glutamate receptor ionotropic kainate using ...


J Med Chem 45: 988-91 (2002)


BindingDB Entry DOI: 10.7270/Q2M32V27
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, kainate 1


(RAT)
BDBM50109656
PNG
(2-Amino-3-(3-hydroxy-4-naphthalen-2-yl-isoxazol-5-...)
Show SMILES N[C@@H](Cc1o[nH]c(=O)c1-c1ccc2ccccc2c1)C(O)=O
Show InChI InChI=1S/C16H14N2O4/c17-12(16(20)21)8-13-14(15(19)18-22-13)11-6-5-9-3-1-2-4-10(9)7-11/h1-7,12H,8,17H2,(H,18,19)(H,20,21)/t12-/m0/s1
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The Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
Concentration of the compound which causes 50% reduction in receptor binding affinity against Ionotropic glutamate receptor ionotropic kainate using ...


J Med Chem 45: 988-91 (2002)


BindingDB Entry DOI: 10.7270/Q2M32V27
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, kainate 1


(RAT)
BDBM50109657
PNG
(2-Amino-3-[3-hydroxy-4-(2-hydroxy-phenyl)-isoxazol...)
Show SMILES N[C@@H](Cc1o[nH]c(=O)c1-c1ccccc1O)C(O)=O |wD:1.0,(7.95,-7.83,;7.97,-6.31,;9.31,-5.54,;9.31,-3.99,;8.53,-2.66,;9.58,-1.52,;10.98,-2.15,;12.32,-1.39,;10.8,-3.68,;11.94,-4.72,;13.41,-4.24,;14.55,-5.26,;14.23,-6.78,;12.75,-7.25,;11.62,-6.22,;10.15,-6.69,;6.63,-5.54,;5.3,-6.31,;6.63,-3.99,)|
Show InChI InChI=1S/C12H12N2O5/c13-7(12(17)18)5-9-10(11(16)14-19-9)6-3-1-2-4-8(6)15/h1-4,7,15H,5,13H2,(H,14,16)(H,17,18)/t7-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



The Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
Concentration of the compound which causes 50% reduction in receptor binding affinity against Ionotropic glutamate receptor ionotropic kainate using ...


J Med Chem 45: 988-91 (2002)


BindingDB Entry DOI: 10.7270/Q2M32V27
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, kainate 1


(RAT)
BDBM50109655
PNG
(2-Amino-3-(3-hydroxy-4-naphthalen-1-yl-isoxazol-5-...)
Show SMILES N[C@@H](Cc1o[nH]c(=O)c1-c1cccc2ccccc12)C(O)=O |wD:1.0,(9.35,-10.71,;9.36,-9.17,;10.69,-8.4,;10.69,-6.86,;9.94,-5.53,;10.97,-4.38,;12.38,-5.01,;13.71,-4.24,;12.21,-6.55,;13.35,-7.58,;13.01,-9.08,;14.15,-10.12,;15.63,-9.66,;15.95,-8.14,;17.4,-7.68,;17.73,-6.17,;16.59,-5.14,;15.13,-5.61,;14.81,-7.11,;8.03,-8.4,;6.69,-9.17,;8.03,-6.86,)|
Show InChI InChI=1S/C16H14N2O4/c17-12(16(20)21)8-13-14(15(19)18-22-13)11-7-3-5-9-4-1-2-6-10(9)11/h1-7,12H,8,17H2,(H,18,19)(H,20,21)/t12-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



The Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
Concentration of the compound which causes 50% reduction in receptor binding affinity against Ionotropic glutamate receptor ionotropic kainate using ...


J Med Chem 45: 988-91 (2002)


BindingDB Entry DOI: 10.7270/Q2M32V27
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, kainate 1


(RAT)
BDBM50098248
PNG
(2-Amino-3-(3-hydroxy-4-phenyl-isoxazol-5-yl)-propi...)
Show SMILES N[C@@H](Cc1o[nH]c(=O)c1-c1ccccc1)C(O)=O
Show InChI InChI=1S/C12H12N2O4/c13-8(12(16)17)6-9-10(11(15)14-18-9)7-4-2-1-3-5-7/h1-5,8H,6,13H2,(H,14,15)(H,16,17)/t8-/m0/s1
PDB

UniProtKB/SwissProt

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PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



The Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
Concentration of the compound which causes 50% reduction in receptor binding affinity against Ionotropic glutamate receptor ionotropic kainate using ...


J Med Chem 45: 988-91 (2002)


BindingDB Entry DOI: 10.7270/Q2M32V27
More data for this
Ligand-Target Pair