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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Glutamate receptor ionotropic, NMDA 1/2A' and Ligand = 'BDBM50111396'   
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 1/2A


(Rattus norvegicus (Rat)-RAT)
BDBM50111396
PNG
(CHEMBL273636 | [[(S)-1-(4-Bromo-phenyl)-ethylamino...)
Show SMILES C[C@H](NC(c1cccc2[nH]c(=O)c(=O)[nH]c12)P(O)(O)=O)c1ccc(Br)cc1
Show InChI InChI=1S/C17H17BrN3O5P/c1-9(10-5-7-11(18)8-6-10)19-17(27(24,25)26)12-3-2-4-13-14(12)21-16(23)15(22)20-13/h2-9,17,19H,1H3,(H,20,22)(H,21,23)(H2,24,25,26)/t9-,17?/m0/s1
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MCE
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PC sid
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Article
PubMed
5.40n/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 receptor ionotropic, NMDA 1/2A


(Homo sapiens (Human))
BDBM50111396
PNG
(CHEMBL273636 | [[(S)-1-(4-Bromo-phenyl)-ethylamino...)
Show SMILES C[C@H](NC(c1cccc2[nH]c(=O)c(=O)[nH]c12)P(O)(O)=O)c1ccc(Br)cc1
Show InChI InChI=1S/C17H17BrN3O5P/c1-9(10-5-7-11(18)8-6-10)19-17(27(24,25)26)12-3-2-4-13-14(12)21-16(23)15(22)20-13/h2-9,17,19H,1H3,(H,20,22)(H,21,23)(H2,24,25,26)/t9-,17?/m0/s1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 270n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Inhibitory activity against Xenopus laevis oocyte expressing 1A/2A heteromeric human NMDA (hNMDA) receptor


Bioorg Med Chem Lett 12: 1099-102 (2002)


BindingDB Entry DOI: 10.7270/Q24B31V2
More data for this
Ligand-Target Pair