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BDBM50164543 (2R,3R)-1-(Phenanthrene-2-carbonyl)-piperazine-2,3-dicarboxylic acid::CHEMBL425185

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

InChI Key: InChIKey=IWWXIZOMXGOTPP-QZTJIDSGSA-N

Data: 6 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 6 hits for monomerid = 50164543   
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))
BDBM50164543
PNG
((2R,3R)-1-(Phenanthrene-2-carbonyl)-piperazine-2,3...)
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
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
4.88E+3n/an/an/an/an/an/an/an/a



University Walk

Curated by ChEMBL


Assay Description
Inhibitory constant against (S)-glutamate and glycine evoked currents mediated by N-methyl-D-aspartate glutamate receptor NR1a/NR2C expressed in Xeno...


J Med Chem 48: 2627-37 (2005)


Article DOI: 10.1021/jm0492498
BindingDB Entry DOI: 10.7270/Q2FJ2G89
More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor subunit epsilon 3/zeta 1


(RAT-Rattus norvegicus (Rat))
BDBM50164543
PNG
((2R,3R)-1-(Phenanthrene-2-carbonyl)-piperazine-2,3...)
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
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
4.90E+3n/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
Glutamate [NMDA] receptor subunit epsilon 2/zeta 1


(Rattus norvegicus (Rat)-RAT)
BDBM50164543
PNG
((2R,3R)-1-(Phenanthrene-2-carbonyl)-piperazine-2,3...)
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
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
9.08E+3n/an/an/an/an/an/an/an/a



University Walk

Curated by ChEMBL


Assay Description
Inhibitory constant against (S)-glutamate and glycine evoked currents mediated by N-methyl-D-aspartate glutamate receptor NR1a/NR2B expressed in Xeno...


J Med Chem 48: 2627-37 (2005)


Article DOI: 10.1021/jm0492498
BindingDB Entry DOI: 10.7270/Q2FJ2G89
More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor subunit epsilon 2/zeta 1


(Rattus norvegicus (Rat)-RAT)
BDBM50164543
PNG
((2R,3R)-1-(Phenanthrene-2-carbonyl)-piperazine-2,3...)
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
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
9.10E+3n/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
Glutamate [NMDA] receptor subunit epsilon 1/zeta 1


(Rattus norvegicus (Rat)-RAT)
BDBM50164543
PNG
((2R,3R)-1-(Phenanthrene-2-carbonyl)-piperazine-2,3...)
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
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.05E+4n/an/an/an/an/an/an/an/a



University Walk

Curated by ChEMBL


Assay Description
Inhibitory constant against (S)-glutamate and glycine evoked currents mediated by N-methyl-D-aspartate glutamate receptor NR1a/NR2A expressed in Xeno...


J Med Chem 48: 2627-37 (2005)


Article DOI: 10.1021/jm0492498
BindingDB Entry DOI: 10.7270/Q2FJ2G89
More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor subunit epsilon 1/zeta 1


(Rattus norvegicus (Rat)-RAT)
BDBM50164543
PNG
((2R,3R)-1-(Phenanthrene-2-carbonyl)-piperazine-2,3...)
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
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.05E+4n/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