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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Glutamate receptor ionotropic, NMDA 2B' and Ligand = 'BDBM50212687'   
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 2B


(Homo sapiens (Human))
BDBM50212687
PNG
(2-(3-chloro-benzyl)-5-trifluoromethoxy-2,3-dihydro...)
Show SMILES FC(F)(F)Oc1ccc2C(=N)N(Cc3cccc(Cl)c3)Cc2c1
Show InChI InChI=1S/C16H12ClF3N2O/c17-12-3-1-2-10(6-12)8-22-9-11-7-13(23-16(18,19)20)4-5-14(11)15(22)21/h1-7,21H,8-9H2
PDB
MMDB

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KEGG

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PC sid
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Article
PubMed
8n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to NMDA NR2B receptor


Bioorg Med Chem Lett 17: 3997-4000 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.084
BindingDB Entry DOI: 10.7270/Q21J99GV
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Homo sapiens (Human))
BDBM50212687
PNG
(2-(3-chloro-benzyl)-5-trifluoromethoxy-2,3-dihydro...)
Show SMILES FC(F)(F)Oc1ccc2C(=N)N(Cc3cccc(Cl)c3)Cc2c1
Show InChI InChI=1S/C16H12ClF3N2O/c17-12-3-1-2-10(6-12)8-22-9-11-7-13(23-16(18,19)20)4-5-14(11)15(22)21/h1-7,21H,8-9H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 49n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at NMDA NR2B receptor assessed as calcium flux


Bioorg Med Chem Lett 17: 3997-4000 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.084
BindingDB Entry DOI: 10.7270/Q21J99GV
More data for this
Ligand-Target Pair