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BDBM50419775 CHEMBL1950808

SMILES: OC(=O)[C@@H]1NCCN([C@@H]1C(O)=O)C(=O)c1ccc2c(ccc3ccccc23)c1

InChI Key: InChIKey=IWWXIZOMXGOTPP-MSOLQXFVSA-N

Data: 3 KI

PDB links: 1 PDB ID matches 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 3 hits for monomerid = 50419775   
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 [NMDA] receptor subunit epsilon 3/zeta 1


(RAT-Rattus norvegicus (Rat))
BDBM50419775
PNG
(CHEMBL1950808)
Show SMILES OC(=O)[C@@H]1NCCN([C@@H]1C(O)=O)C(=O)c1ccc2c(ccc3ccccc23)c1
Show InChI InChI=1S/C21H18N2O5/c24-19(23-10-9-22-17(20(25)26)18(23)21(27)28)14-7-8-16-13(11-14)6-5-12-3-1-2-4-15(12)16/h1-8,11,17-18,22H,9-10H2,(H,25,26)(H,27,28)/t17-,18+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
70n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Antagonist activity rat recombinant GluN1/GluN2C receptor expressed in Xenopus laevis oocytes assessed as inhibition of glutamate-induced response by...


J Med Chem 55: 327-41 (2012)


Article DOI: 10.1021/jm201230z
BindingDB Entry DOI: 10.7270/Q2TD9XTJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glutamate [NMDA] receptor subunit epsilon 1/zeta 1


(Rattus norvegicus (Rat)-RAT)
BDBM50419775
PNG
(CHEMBL1950808)
Show SMILES OC(=O)[C@@H]1NCCN([C@@H]1C(O)=O)C(=O)c1ccc2c(ccc3ccccc23)c1
Show InChI InChI=1S/C21H18N2O5/c24-19(23-10-9-22-17(20(25)26)18(23)21(27)28)14-7-8-16-13(11-14)6-5-12-3-1-2-4-15(12)16/h1-8,11,17-18,22H,9-10H2,(H,25,26)(H,27,28)/t17-,18+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
210n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Antagonist activity at rat recombinant GluN1/GluN2A receptor expressed in Xenopus laevis oocytes assessed as inhibition of glutamate-induced response...


J Med Chem 55: 327-41 (2012)


Article DOI: 10.1021/jm201230z
BindingDB Entry DOI: 10.7270/Q2TD9XTJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glutamate [NMDA] receptor subunit epsilon 2/zeta 1


(Rattus norvegicus (Rat)-RAT)
BDBM50419775
PNG
(CHEMBL1950808)
Show SMILES OC(=O)[C@@H]1NCCN([C@@H]1C(O)=O)C(=O)c1ccc2c(ccc3ccccc23)c1
Show InChI InChI=1S/C21H18N2O5/c24-19(23-10-9-22-17(20(25)26)18(23)21(27)28)14-7-8-16-13(11-14)6-5-12-3-1-2-4-15(12)16/h1-8,11,17-18,22H,9-10H2,(H,25,26)(H,27,28)/t17-,18+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
220n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Antagonist activity rat recombinant GluN1/GluN2B receptor expressed in Xenopus laevis oocytes assessed as inhibition of glutamate-induced response by...


J Med Chem 55: 327-41 (2012)


Article DOI: 10.1021/jm201230z
BindingDB Entry DOI: 10.7270/Q2TD9XTJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)