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BDBM50355329 CHEMBL1835336

SMILES: NC(Cc1cc(Cl)c(cc1CCC(O)=O)[N+]([O-])=O)C(O)=O

InChI Key: InChIKey=DRCLPFURMHGQPC-UHFFFAOYSA-N

Data: 6 KI  1 IC50

PDB links: 2 PDB IDs match this monomer.

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 7 hits for monomerid = 50355329   
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 kainate


(RAT)
BDBM50355329
PNG
(CHEMBL1835336)
Show SMILES NC(Cc1cc(Cl)c(cc1CCC(O)=O)[N+]([O-])=O)C(O)=O
Show InChI InChI=1S/C12H13ClN2O6/c13-8-3-7(4-9(14)12(18)19)6(1-2-11(16)17)5-10(8)15(20)21/h3,5,9H,1-2,4,14H2,(H,16,17)(H,18,19)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
3.00E+3n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]-(2S,4R)-4-methylglutamic acid from full length recombinant rat GluKK1(Q)1b receptor expressed in sf9 cells by liquid scintillati...


Bioorg Med Chem 22: 5368-77 (2014)


Article DOI: 10.1016/j.bmc.2014.07.045
BindingDB Entry DOI: 10.7270/Q2TM7CXK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
GRIA2


(Homo sapiens (Human))
BDBM50355329
PNG
(CHEMBL1835336)
Show SMILES NC(Cc1cc(Cl)c(cc1CCC(O)=O)[N+]([O-])=O)C(O)=O
Show InChI InChI=1S/C12H13ClN2O6/c13-8-3-7(4-9(14)12(18)19)6(1-2-11(16)17)5-10(8)15(20)21/h3,5,9H,1-2,4,14H2,(H,16,17)(H,18,19)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
3.15E+3n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]AMPA from recombinant GluA2 S1S2J soluble ligand binding domain


J Med Chem 54: 7289-98 (2011)


Article DOI: 10.1021/jm200862h
BindingDB Entry DOI: 10.7270/Q2QC03WT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glutamate receptor 1 (GluA1)


(Rattus norvegicus (Rat))
BDBM50355329
PNG
(CHEMBL1835336)
Show SMILES NC(Cc1cc(Cl)c(cc1CCC(O)=O)[N+]([O-])=O)C(O)=O
Show InChI InChI=1S/C12H13ClN2O6/c13-8-3-7(4-9(14)12(18)19)6(1-2-11(16)17)5-10(8)15(20)21/h3,5,9H,1-2,4,14H2,(H,16,17)(H,18,19)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
PDB
UniChem
Article
PubMed
6.87E+3n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]AMPA from recombinant rat GluA1 flop isoform receptor expressed in Sf9 insect cell membrane


J Med Chem 54: 7289-98 (2011)


Article DOI: 10.1021/jm200862h
BindingDB Entry DOI: 10.7270/Q2QC03WT
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, kainate


(Rattus norvegicus)
BDBM50355329
PNG
(CHEMBL1835336)
Show SMILES NC(Cc1cc(Cl)c(cc1CCC(O)=O)[N+]([O-])=O)C(O)=O
Show InChI InChI=1S/C12H13ClN2O6/c13-8-3-7(4-9(14)12(18)19)6(1-2-11(16)17)5-10(8)15(20)21/h3,5,9H,1-2,4,14H2,(H,16,17)(H,18,19)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
PDB
UniChem
Article
PubMed
1.44E+4n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]-(2S,4R)-4-methylglutamic acid from full length recombinant rat GluK3 receptor expressed in sf9 cells by liquid scintillation cou...


Bioorg Med Chem 22: 5368-77 (2014)


Article DOI: 10.1016/j.bmc.2014.07.045
BindingDB Entry DOI: 10.7270/Q2TM7CXK
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, AMPA 4


(Rattus norvegicus)
BDBM50355329
PNG
(CHEMBL1835336)
Show SMILES NC(Cc1cc(Cl)c(cc1CCC(O)=O)[N+]([O-])=O)C(O)=O
Show InChI InChI=1S/C12H13ClN2O6/c13-8-3-7(4-9(14)12(18)19)6(1-2-11(16)17)5-10(8)15(20)21/h3,5,9H,1-2,4,14H2,(H,16,17)(H,18,19)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
2.04E+4n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]AMPA from recombinant rat GluA4 flop isoform receptor expressed in Sf9 insect cell membrane


J Med Chem 54: 7289-98 (2011)


Article DOI: 10.1021/jm200862h
BindingDB Entry DOI: 10.7270/Q2QC03WT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
GRIA3


(RAT)
BDBM50355329
PNG
(CHEMBL1835336)
Show SMILES NC(Cc1cc(Cl)c(cc1CCC(O)=O)[N+]([O-])=O)C(O)=O
Show InChI InChI=1S/C12H13ClN2O6/c13-8-3-7(4-9(14)12(18)19)6(1-2-11(16)17)5-10(8)15(20)21/h3,5,9H,1-2,4,14H2,(H,16,17)(H,18,19)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
2.27E+4n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]AMPA from recombinant rat GluA3 flop isoform receptor expressed in Sf9 insect cell membrane


J Med Chem 54: 7289-98 (2011)


Article DOI: 10.1021/jm200862h
BindingDB Entry DOI: 10.7270/Q2QC03WT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
GRIA3


(RAT)
BDBM50355329
PNG
(CHEMBL1835336)
Show SMILES NC(Cc1cc(Cl)c(cc1CCC(O)=O)[N+]([O-])=O)C(O)=O
Show InChI InChI=1S/C12H13ClN2O6/c13-8-3-7(4-9(14)12(18)19)6(1-2-11(16)17)5-10(8)15(20)21/h3,5,9H,1-2,4,14H2,(H,16,17)(H,18,19)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/a 3.00E+4n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant rat GluA3 flip isoform receptor expressed in Xenopus laevis oocytes assessed as inhibition of glutamate-induced cu...


J Med Chem 54: 7289-98 (2011)


Article DOI: 10.1021/jm200862h
BindingDB Entry DOI: 10.7270/Q2QC03WT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)