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PubMed code 29451794

Compile data set for download or QSAR
Found 20 hits of Enzyme Inhibition Constant Data   
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


(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 |r|
Show InChI InChI=1S/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-/m0/s1
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PubMed
44n/an/an/an/an/an/an/an/a



Department of Biotechnology, Chemistry and Pharmacy, (DoE 2018-2022) NatSynDrugs , University of Siena , Via A. Moro 2 , 53100 Siena , Italy.

Curated by ChEMBL


Assay Description
Displacement of [3H]SYM2081 from recombinant homomeric rat GluK1 receptor expressed in baculovirus infected Sf9 insect cell membranes


J Med Chem 61: 2124-2130 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00099
BindingDB Entry DOI: 10.7270/Q2WS8WQT
More data for this
Ligand-Target Pair
Glutamate receptor 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 |r|
Show InChI InChI=1S/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-/m0/s1
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223n/an/an/an/an/an/an/an/a



Department of Biotechnology, Chemistry and Pharmacy, (DoE 2018-2022) NatSynDrugs , University of Siena , Via A. Moro 2 , 53100 Siena , Italy.

Curated by ChEMBL


Assay Description
Displacement of [3H]AMPA from recombinant homomeric rat GluA2 receptor expressed in baculovirus infected Sf9 insect cell membranes


J Med Chem 61: 2124-2130 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00099
BindingDB Entry DOI: 10.7270/Q2WS8WQT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glutamate receptor 2


(Rattus norvegicus)
BDBM50263221
PNG
(CHEMBL4077177)
Show SMILES N[C@@H](Cn1c2COCc2c(=O)[nH]c1=O)C(O)=O |r|
Show InChI InChI=1S/C9H11N3O5/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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331n/an/an/an/an/an/an/an/a



Department of Biotechnology, Chemistry and Pharmacy, (DoE 2018-2022) NatSynDrugs , University of Siena , Via A. Moro 2 , 53100 Siena , Italy.

Curated by ChEMBL


Assay Description
Displacement of [3H]AMPA from recombinant homomeric rat GluA2 receptor expressed in baculovirus infected Sf9 insect cell membranes


J Med Chem 61: 2124-2130 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00099
BindingDB Entry DOI: 10.7270/Q2WS8WQT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glutamate receptor ionotropic, kainate 1


(RAT)
BDBM50263220
PNG
(CHEMBL4075364)
Show SMILES CN1Cc2c(C1)c(=O)[nH]c(=O)n2C[C@H](N)C(O)=O |r|
Show InChI InChI=1S/C10H14N4O4/c1-13-2-5-7(4-13)14(3-6(11)9(16)17)10(18)12-8(5)15/h6H,2-4,11H2,1H3,(H,16,17)(H,12,15,18)/t6-/m0/s1
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356n/an/an/an/an/an/an/an/a



Department of Biotechnology, Chemistry and Pharmacy, (DoE 2018-2022) NatSynDrugs , University of Siena , Via A. Moro 2 , 53100 Siena , Italy.

Curated by ChEMBL


Assay Description
Displacement of [3H]SYM2081 from recombinant homomeric rat GluK1 receptor expressed in baculovirus infected Sf9 insect cell membranes


J Med Chem 61: 2124-2130 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00099
BindingDB Entry DOI: 10.7270/Q2WS8WQT
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, kainate 1


(RAT)
BDBM50263221
PNG
(CHEMBL4077177)
Show SMILES N[C@@H](Cn1c2COCc2c(=O)[nH]c1=O)C(O)=O |r|
Show InChI InChI=1S/C9H11N3O5/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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586n/an/an/an/an/an/an/an/a



Department of Biotechnology, Chemistry and Pharmacy, (DoE 2018-2022) NatSynDrugs , University of Siena , Via A. Moro 2 , 53100 Siena , Italy.

Curated by ChEMBL


Assay Description
Displacement of [3H]SYM2081 from recombinant homomeric rat GluK1 receptor expressed in baculovirus infected Sf9 insect cell membranes


J Med Chem 61: 2124-2130 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00099
BindingDB Entry DOI: 10.7270/Q2WS8WQT
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, kainate 1


(RAT)
BDBM50263224
PNG
(CHEMBL4066795)
Show SMILES N[C@@H](Cn1c2CNCc2c(=O)[nH]c1=O)C(O)=O |r|
Show InChI InChI=1S/C9H12N4O4/c10-5(8(15)16)3-13-6-2-11-1-4(6)7(14)12-9(13)17/h5,11H,1-3,10H2,(H,15,16)(H,12,14,17)/t5-/m0/s1
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869n/an/an/an/an/an/an/an/a



Department of Biotechnology, Chemistry and Pharmacy, (DoE 2018-2022) NatSynDrugs , University of Siena , Via A. Moro 2 , 53100 Siena , Italy.

Curated by ChEMBL


Assay Description
Displacement of [3H]SYM2081 from recombinant homomeric rat GluK1 receptor expressed in baculovirus infected Sf9 insect cell membranes


J Med Chem 61: 2124-2130 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00099
BindingDB Entry DOI: 10.7270/Q2WS8WQT
More data for this
Ligand-Target Pair
Glutamate receptor 2


(Rattus norvegicus)
BDBM50263220
PNG
(CHEMBL4075364)
Show SMILES CN1Cc2c(C1)c(=O)[nH]c(=O)n2C[C@H](N)C(O)=O |r|
Show InChI InChI=1S/C10H14N4O4/c1-13-2-5-7(4-13)14(3-6(11)9(16)17)10(18)12-8(5)15/h6H,2-4,11H2,1H3,(H,16,17)(H,12,15,18)/t6-/m0/s1
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1.99E+3n/an/an/an/an/an/an/an/a



Department of Biotechnology, Chemistry and Pharmacy, (DoE 2018-2022) NatSynDrugs , University of Siena , Via A. Moro 2 , 53100 Siena , Italy.

Curated by ChEMBL


Assay Description
Displacement of [3H]AMPA from recombinant homomeric rat GluA2 receptor expressed in baculovirus infected Sf9 insect cell membranes


J Med Chem 61: 2124-2130 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00099
BindingDB Entry DOI: 10.7270/Q2WS8WQT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glutamate receptor ionotropic, kainate 3


(Rattus norvegicus)
BDBM50263220
PNG
(CHEMBL4075364)
Show SMILES CN1Cc2c(C1)c(=O)[nH]c(=O)n2C[C@H](N)C(O)=O |r|
Show InChI InChI=1S/C10H14N4O4/c1-13-2-5-7(4-13)14(3-6(11)9(16)17)10(18)12-8(5)15/h6H,2-4,11H2,1H3,(H,16,17)(H,12,15,18)/t6-/m0/s1
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2.15E+3n/an/an/an/an/an/an/an/a



Department of Biotechnology, Chemistry and Pharmacy, (DoE 2018-2022) NatSynDrugs , University of Siena , Via A. Moro 2 , 53100 Siena , Italy.

Curated by ChEMBL


Assay Description
Displacement of [3H]SYM2081 from recombinant homomeric rat GluK3 receptor expressed in baculovirus infected Sf9 insect cell membranes


J Med Chem 61: 2124-2130 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00099
BindingDB Entry DOI: 10.7270/Q2WS8WQT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glutamate receptor 2


(Rattus norvegicus)
BDBM50263224
PNG
(CHEMBL4066795)
Show SMILES N[C@@H](Cn1c2CNCc2c(=O)[nH]c1=O)C(O)=O |r|
Show InChI InChI=1S/C9H12N4O4/c10-5(8(15)16)3-13-6-2-11-1-4(6)7(14)12-9(13)17/h5,11H,1-3,10H2,(H,15,16)(H,12,14,17)/t5-/m0/s1
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2.37E+3n/an/an/an/an/an/an/an/a



Department of Biotechnology, Chemistry and Pharmacy, (DoE 2018-2022) NatSynDrugs , University of Siena , Via A. Moro 2 , 53100 Siena , Italy.

Curated by ChEMBL


Assay Description
Displacement of [3H]AMPA from recombinant homomeric rat GluA2 receptor expressed in baculovirus infected Sf9 insect cell membranes


J Med Chem 61: 2124-2130 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00099
BindingDB Entry DOI: 10.7270/Q2WS8WQT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glutamate receptor ionotropic, kainate 3


(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 |r|
Show InChI InChI=1S/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-/m0/s1
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5.09E+3n/an/an/an/an/an/an/an/a



Department of Biotechnology, Chemistry and Pharmacy, (DoE 2018-2022) NatSynDrugs , University of Siena , Via A. Moro 2 , 53100 Siena , Italy.

Curated by ChEMBL


Assay Description
Displacement of [3H]SYM2081 from recombinant homomeric rat GluK3 receptor expressed in baculovirus infected Sf9 insect cell membranes


J Med Chem 61: 2124-2130 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00099
BindingDB Entry DOI: 10.7270/Q2WS8WQT
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, kainate 3


(Rattus norvegicus)
BDBM50263224
PNG
(CHEMBL4066795)
Show SMILES N[C@@H](Cn1c2CNCc2c(=O)[nH]c1=O)C(O)=O |r|
Show InChI InChI=1S/C9H12N4O4/c10-5(8(15)16)3-13-6-2-11-1-4(6)7(14)12-9(13)17/h5,11H,1-3,10H2,(H,15,16)(H,12,14,17)/t5-/m0/s1
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1.81E+4n/an/an/an/an/an/an/an/a



Department of Biotechnology, Chemistry and Pharmacy, (DoE 2018-2022) NatSynDrugs , University of Siena , Via A. Moro 2 , 53100 Siena , Italy.

Curated by ChEMBL


Assay Description
Displacement of [3H]SYM2081 from recombinant homomeric rat GluK3 receptor expressed in baculovirus infected Sf9 insect cell membranes


J Med Chem 61: 2124-2130 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00099
BindingDB Entry DOI: 10.7270/Q2WS8WQT
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, kainate 1


(RAT)
BDBM50263223
PNG
(CHEMBL4083716)
Show SMILES N[C@@H](Cn1c2cscc2c(=O)n(Cc2nnc(O)o2)c1=O)C(O)=O |r|
Show InChI InChI=1S/C12H11N5O6S/c13-6(10(19)20)1-16-7-4-24-3-5(7)9(18)17(12(16)22)2-8-14-15-11(21)23-8/h3-4,6H,1-2,13H2,(H,15,21)(H,19,20)/t6-/m0/s1
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3.60E+4n/an/an/an/an/an/an/an/a



Department of Biotechnology, Chemistry and Pharmacy, (DoE 2018-2022) NatSynDrugs , University of Siena , Via A. Moro 2 , 53100 Siena , Italy.

Curated by ChEMBL


Assay Description
Displacement of [3H]SYM2081 from recombinant homomeric rat GluK1 receptor expressed in baculovirus infected Sf9 insect cell membranes


J Med Chem 61: 2124-2130 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00099
BindingDB Entry DOI: 10.7270/Q2WS8WQT
More data for this
Ligand-Target Pair
Glutamate receptor 2


(Rattus norvegicus)
BDBM50263223
PNG
(CHEMBL4083716)
Show SMILES N[C@@H](Cn1c2cscc2c(=O)n(Cc2nnc(O)o2)c1=O)C(O)=O |r|
Show InChI InChI=1S/C12H11N5O6S/c13-6(10(19)20)1-16-7-4-24-3-5(7)9(18)17(12(16)22)2-8-14-15-11(21)23-8/h3-4,6H,1-2,13H2,(H,15,21)(H,19,20)/t6-/m0/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



Department of Biotechnology, Chemistry and Pharmacy, (DoE 2018-2022) NatSynDrugs , University of Siena , Via A. Moro 2 , 53100 Siena , Italy.

Curated by ChEMBL


Assay Description
Displacement of [3H]AMPA from recombinant homomeric rat GluA2 receptor expressed in baculovirus infected Sf9 insect cell membranes


J Med Chem 61: 2124-2130 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00099
BindingDB Entry DOI: 10.7270/Q2WS8WQT
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, kainate 3


(Rattus norvegicus)
BDBM50263223
PNG
(CHEMBL4083716)
Show SMILES N[C@@H](Cn1c2cscc2c(=O)n(Cc2nnc(O)o2)c1=O)C(O)=O |r|
Show InChI InChI=1S/C12H11N5O6S/c13-6(10(19)20)1-16-7-4-24-3-5(7)9(18)17(12(16)22)2-8-14-15-11(21)23-8/h3-4,6H,1-2,13H2,(H,15,21)(H,19,20)/t6-/m0/s1
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1.00E+5n/an/an/an/an/an/an/an/a



Department of Biotechnology, Chemistry and Pharmacy, (DoE 2018-2022) NatSynDrugs , University of Siena , Via A. Moro 2 , 53100 Siena , Italy.

Curated by ChEMBL


Assay Description
Displacement of [3H]SYM2081 from recombinant homomeric rat GluK3 receptor expressed in baculovirus infected Sf9 insect cell membranes


J Med Chem 61: 2124-2130 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00099
BindingDB Entry DOI: 10.7270/Q2WS8WQT
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, kainate 3


(Rattus norvegicus)
BDBM50263221
PNG
(CHEMBL4077177)
Show SMILES N[C@@H](Cn1c2COCc2c(=O)[nH]c1=O)C(O)=O |r|
Show InChI InChI=1S/C9H11N3O5/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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1.11E+5n/an/an/an/an/an/an/an/a



Department of Biotechnology, Chemistry and Pharmacy, (DoE 2018-2022) NatSynDrugs , University of Siena , Via A. Moro 2 , 53100 Siena , Italy.

Curated by ChEMBL


Assay Description
Displacement of [3H]SYM2081 from recombinant homomeric rat GluK3 receptor expressed in baculovirus infected Sf9 insect cell membranes


J Med Chem 61: 2124-2130 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00099
BindingDB Entry DOI: 10.7270/Q2WS8WQT
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, kainate 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 |r|
Show InChI InChI=1S/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-/m0/s1
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>1.00E+6n/an/an/an/an/an/an/an/a



Department of Biotechnology, Chemistry and Pharmacy, (DoE 2018-2022) NatSynDrugs , University of Siena , Via A. Moro 2 , 53100 Siena , Italy.

Curated by ChEMBL


Assay Description
Displacement of [3H]SYM2081 from recombinant homomeric rat GluK2 receptor expressed in baculovirus infected Sf9 insect cell membranes


J Med Chem 61: 2124-2130 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00099
BindingDB Entry DOI: 10.7270/Q2WS8WQT
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, kainate 2


(Rattus norvegicus)
BDBM50263220
PNG
(CHEMBL4075364)
Show SMILES CN1Cc2c(C1)c(=O)[nH]c(=O)n2C[C@H](N)C(O)=O |r|
Show InChI InChI=1S/C10H14N4O4/c1-13-2-5-7(4-13)14(3-6(11)9(16)17)10(18)12-8(5)15/h6H,2-4,11H2,1H3,(H,16,17)(H,12,15,18)/t6-/m0/s1
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>1.00E+6n/an/an/an/an/an/an/an/a



Department of Biotechnology, Chemistry and Pharmacy, (DoE 2018-2022) NatSynDrugs , University of Siena , Via A. Moro 2 , 53100 Siena , Italy.

Curated by ChEMBL


Assay Description
Displacement of [3H]SYM2081 from recombinant homomeric rat GluK2 receptor expressed in baculovirus infected Sf9 insect cell membranes


J Med Chem 61: 2124-2130 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00099
BindingDB Entry DOI: 10.7270/Q2WS8WQT
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, kainate 2


(Rattus norvegicus)
BDBM50263223
PNG
(CHEMBL4083716)
Show SMILES N[C@@H](Cn1c2cscc2c(=O)n(Cc2nnc(O)o2)c1=O)C(O)=O |r|
Show InChI InChI=1S/C12H11N5O6S/c13-6(10(19)20)1-16-7-4-24-3-5(7)9(18)17(12(16)22)2-8-14-15-11(21)23-8/h3-4,6H,1-2,13H2,(H,15,21)(H,19,20)/t6-/m0/s1
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PubMed
>1.00E+6n/an/an/an/an/an/an/an/a



Department of Biotechnology, Chemistry and Pharmacy, (DoE 2018-2022) NatSynDrugs , University of Siena , Via A. Moro 2 , 53100 Siena , Italy.

Curated by ChEMBL


Assay Description
Displacement of [3H]SYM2081 from recombinant homomeric rat GluK2 receptor expressed in baculovirus infected Sf9 insect cell membranes


J Med Chem 61: 2124-2130 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00099
BindingDB Entry DOI: 10.7270/Q2WS8WQT
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, kainate 2


(Rattus norvegicus)
BDBM50263224
PNG
(CHEMBL4066795)
Show SMILES N[C@@H](Cn1c2CNCc2c(=O)[nH]c1=O)C(O)=O |r|
Show InChI InChI=1S/C9H12N4O4/c10-5(8(15)16)3-13-6-2-11-1-4(6)7(14)12-9(13)17/h5,11H,1-3,10H2,(H,15,16)(H,12,14,17)/t5-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
>1.00E+6n/an/an/an/an/an/an/an/a



Department of Biotechnology, Chemistry and Pharmacy, (DoE 2018-2022) NatSynDrugs , University of Siena , Via A. Moro 2 , 53100 Siena , Italy.

Curated by ChEMBL


Assay Description
Displacement of [3H]SYM2081 from recombinant homomeric rat GluK2 receptor expressed in baculovirus infected Sf9 insect cell membranes


J Med Chem 61: 2124-2130 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00099
BindingDB Entry DOI: 10.7270/Q2WS8WQT
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, kainate 2


(Rattus norvegicus)
BDBM50263221
PNG
(CHEMBL4077177)
Show SMILES N[C@@H](Cn1c2COCc2c(=O)[nH]c1=O)C(O)=O |r|
Show InChI InChI=1S/C9H11N3O5/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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
>1.00E+6n/an/an/an/an/an/an/an/a



Department of Biotechnology, Chemistry and Pharmacy, (DoE 2018-2022) NatSynDrugs , University of Siena , Via A. Moro 2 , 53100 Siena , Italy.

Curated by ChEMBL


Assay Description
Displacement of [3H]SYM2081 from recombinant homomeric rat GluK2 receptor expressed in baculovirus infected Sf9 insect cell membranes


J Med Chem 61: 2124-2130 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00099
BindingDB Entry DOI: 10.7270/Q2WS8WQT
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%