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BDBM50116043 3-(6-Nitro-2,3-dioxo-7-pyrrol-1-yl-3,4-dihydro-2H-quinoxalin-1-yl)-propionic acid::CHEMBL305534

SMILES: OC(=O)CCn1c2cc(c(cc2[nH]c(=O)c1=O)[N+]([O-])=O)-n1cccc1

InChI Key: InChIKey=DRXNDLSRCBVINN-UHFFFAOYSA-N

Data: 5 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50116043   
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 2


(Homo sapiens (Human))
BDBM50116043
PNG
(3-(6-Nitro-2,3-dioxo-7-pyrrol-1-yl-3,4-dihydro-2H-...)
Show SMILES OC(=O)CCn1c2cc(c(cc2[nH]c(=O)c1=O)[N+]([O-])=O)-n1cccc1
Show InChI InChI=1S/C15H12N4O6/c20-13(21)3-6-18-10-8-11(17-4-1-2-5-17)12(19(24)25)7-9(10)16-14(22)15(18)23/h1-2,4-5,7-8H,3,6H2,(H,16,22)(H,20,21)
PDB

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PubMed
1.20E+3n/an/an/an/an/an/an/an/a



Abbott GmbH & Co. KG

Curated by ChEMBL


Assay Description
Binding affinity for human GluR6 expressed in HEK-293 cells using [3]H-kainate


Bioorg Med Chem Lett 12: 2113-6 (2002)


BindingDB Entry DOI: 10.7270/Q22806XK
More data for this
Ligand-Target Pair
GRIK1


(Homo sapiens (Human))
BDBM50116043
PNG
(3-(6-Nitro-2,3-dioxo-7-pyrrol-1-yl-3,4-dihydro-2H-...)
Show SMILES OC(=O)CCn1c2cc(c(cc2[nH]c(=O)c1=O)[N+]([O-])=O)-n1cccc1
Show InChI InChI=1S/C15H12N4O6/c20-13(21)3-6-18-10-8-11(17-4-1-2-5-17)12(19(24)25)7-9(10)16-14(22)15(18)23/h1-2,4-5,7-8H,3,6H2,(H,16,22)(H,20,21)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
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PubMed
2.40E+3n/an/an/an/an/an/an/an/a



Abbott GmbH & Co. KG

Curated by ChEMBL


Assay Description
Binding affinity towards cloned human GluR5 subunit stably expressed in cultured HEK-293 cells using [3]H-kainate as radioligand


Bioorg Med Chem Lett 12: 2113-6 (2002)


BindingDB Entry DOI: 10.7270/Q22806XK
More data for this
Ligand-Target Pair
Glutamate-Kainate 7


(Homo sapiens (Human))
BDBM50116043
PNG
(3-(6-Nitro-2,3-dioxo-7-pyrrol-1-yl-3,4-dihydro-2H-...)
Show SMILES OC(=O)CCn1c2cc(c(cc2[nH]c(=O)c1=O)[N+]([O-])=O)-n1cccc1
Show InChI InChI=1S/C15H12N4O6/c20-13(21)3-6-18-10-8-11(17-4-1-2-5-17)12(19(24)25)7-9(10)16-14(22)15(18)23/h1-2,4-5,7-8H,3,6H2,(H,16,22)(H,20,21)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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antibodypedia
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PubMed
2.50E+3n/an/an/an/an/an/an/an/a



Abbott GmbH & Co. KG

Curated by ChEMBL


Assay Description
Binding affinity towards cloned human GluR7 subunit stably expressed in cultured HEK-293 cells using [3]H-kainate as radioligand


Bioorg Med Chem Lett 12: 2113-6 (2002)


BindingDB Entry DOI: 10.7270/Q22806XK
More data for this
Ligand-Target Pair
Grik5


(Homo sapiens (Human))
BDBM50116043
PNG
(3-(6-Nitro-2,3-dioxo-7-pyrrol-1-yl-3,4-dihydro-2H-...)
Show SMILES OC(=O)CCn1c2cc(c(cc2[nH]c(=O)c1=O)[N+]([O-])=O)-n1cccc1
Show InChI InChI=1S/C15H12N4O6/c20-13(21)3-6-18-10-8-11(17-4-1-2-5-17)12(19(24)25)7-9(10)16-14(22)15(18)23/h1-2,4-5,7-8H,3,6H2,(H,16,22)(H,20,21)
PDB

UniProtKB/SwissProt

antibodypedia
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UniChem

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PubMed
2.50E+4n/an/an/an/an/an/an/an/a



Abbott GmbH & Co. KG

Curated by ChEMBL


Assay Description
Binding affinity towards cloned human Kai-2 subunit stably expressed in cultured HEK-293 cells using [3]H-kainate as radioligand


Bioorg Med Chem Lett 12: 2113-6 (2002)


BindingDB Entry DOI: 10.7270/Q22806XK
More data for this
Ligand-Target Pair
NMDA receptor subunit 2C (GluN2C)


(Rattus norvegicus (Rat))
BDBM50116043
PNG
(3-(6-Nitro-2,3-dioxo-7-pyrrol-1-yl-3,4-dihydro-2H-...)
Show SMILES OC(=O)CCn1c2cc(c(cc2[nH]c(=O)c1=O)[N+]([O-])=O)-n1cccc1
Show InChI InChI=1S/C15H12N4O6/c20-13(21)3-6-18-10-8-11(17-4-1-2-5-17)12(19(24)25)7-9(10)16-14(22)15(18)23/h1-2,4-5,7-8H,3,6H2,(H,16,22)(H,20,21)
UniProtKB/SwissProt

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Article
>3.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


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


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


Article DOI: 10.1016/S0960-894X(96)00534-3
BindingDB Entry DOI: 10.7270/Q23N23BK
More data for this
Ligand-Target Pair