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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Ionotropic glutamate receptor NMDA 1/2D' and Ligand = 'BDBM50284808'   
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
Ionotropic glutamate receptor NMDA 1/2D


(RAT)
BDBM50284808
PNG
(2-((5R,6S)-9-Bromo-6-methyl-2,3-dioxo-2,3,6,7-tetr...)
Show SMILES C[C@H]1Cc2cc(Br)cc3[nH]c(=O)c(=O)n([C@@H]1CC(=O)Nc1ccccc1)c23
Show InChI InChI=1S/C20H18BrN3O3/c1-11-7-12-8-13(21)9-15-18(12)24(20(27)19(26)23-15)16(11)10-17(25)22-14-5-3-2-4-6-14/h2-6,8-9,11,16H,7,10H2,1H3,(H,22,25)(H,23,26)/t11-,16+/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Affinity for the glycine binding site of the NMDA receptor using [3H]- 5,7- dichloro -kynurenic acid as radio-ligand


Bioorg Med Chem Lett 5: 1533-1536 (1995)


Article DOI: 10.1016/0960-894X(95)00244-N
BindingDB Entry DOI: 10.7270/Q2FB52WG
More data for this
Ligand-Target Pair
Ionotropic glutamate receptor NMDA 1/2D


(RAT)
BDBM50284808
PNG
(2-((5R,6S)-9-Bromo-6-methyl-2,3-dioxo-2,3,6,7-tetr...)
Show SMILES C[C@H]1Cc2cc(Br)cc3[nH]c(=O)c(=O)n([C@@H]1CC(=O)Nc1ccccc1)c23
Show InChI InChI=1S/C20H18BrN3O3/c1-11-7-12-8-13(21)9-15-18(12)24(20(27)19(26)23-15)16(11)10-17(25)22-14-5-3-2-4-6-14/h2-6,8-9,11,16H,7,10H2,1H3,(H,22,25)(H,23,26)/t11-,16+/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Affinity measured by using [3H]5,7-dichlorokynurenic acid (DCKA) for the glycine binding site of NMDA receptor


Bioorg Med Chem Lett 5: 1527-1532 (1995)


Article DOI: 10.1016/0960-894X(95)00243-M
BindingDB Entry DOI: 10.7270/Q2K35TKC
More data for this
Ligand-Target Pair