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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Glutamate receptor ionotropic, NMDA 1' and Ligand = 'BDBM50078517'   
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
Glutamate receptor ionotropic, NMDA 1


(RAT)
BDBM50078517
PNG
(7-Nitro-4-oxo-4,5-dihydro-[1,2,4]triazolo[1,5-a]qu...)
Show SMILES OC(=O)c1nc2n(n1)c1ccc(cc1[nH]c2=O)[N+]([O-])=O
Show InChI InChI=1S/C10H5N5O5/c16-9-8-12-7(10(17)18)13-14(8)6-2-1-4(15(19)20)3-5(6)11-9/h1-3H,(H,11,16)(H,17,18)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
710n/an/an/an/an/an/an/an/a



Universita' di Firenze

Curated by ChEMBL


Assay Description
Binding affinity towards N-methyl-D-aspartate glutamate receptor 1 in rat cortical membranes using [3H]-glycine as radioligand


J Med Chem 42: 2478-84 (1999)


Article DOI: 10.1021/jm981102r
BindingDB Entry DOI: 10.7270/Q20K27R0
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(RAT)
BDBM50078517
PNG
(7-Nitro-4-oxo-4,5-dihydro-[1,2,4]triazolo[1,5-a]qu...)
Show SMILES OC(=O)c1nc2n(n1)c1ccc(cc1[nH]c2=O)[N+]([O-])=O
Show InChI InChI=1S/C10H5N5O5/c16-9-8-12-7(10(17)18)13-14(8)6-2-1-4(15(19)20)3-5(6)11-9/h1-3H,(H,11,16)(H,17,18)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
710n/an/an/an/an/an/an/an/a



Moscow State University

Curated by ChEMBL


Assay Description
Binding selectivity towards N-methyl-D-aspartate glutamate receptor 1 was determined by using [3H]- glycine/NMDA


J Med Chem 46: 4063-9 (2003)


Article DOI: 10.1021/jm030833a
BindingDB Entry DOI: 10.7270/Q2445KVC
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(RAT)
BDBM50078517
PNG
(7-Nitro-4-oxo-4,5-dihydro-[1,2,4]triazolo[1,5-a]qu...)
Show SMILES OC(=O)c1nc2n(n1)c1ccc(cc1[nH]c2=O)[N+]([O-])=O
Show InChI InChI=1S/C10H5N5O5/c16-9-8-12-7(10(17)18)13-14(8)6-2-1-4(15(19)20)3-5(6)11-9/h1-3H,(H,11,16)(H,17,18)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 7.80E+3n/an/an/an/a



Universita' di Firenze

Curated by ChEMBL


Assay Description
Functional antagonism at the N-methyl-D-aspartate glutamate receptor 1 was demonstrated by the ability to inhibit the binding of thechannel-blocking ...


J Med Chem 42: 2478-84 (1999)


Article DOI: 10.1021/jm981102r
BindingDB Entry DOI: 10.7270/Q20K27R0
More data for this
Ligand-Target Pair