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SMILES: FC(F)(F)Oc1ccc(cc1Cl)C1=NC(CN1)c1ccccc1OC(F)(F)F

InChI Key: InChIKey=UUFPWPUPPVEDSS-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50212679   
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 receptor ionotropic, NMDA 2B


(Homo sapiens (Human))
BDBM50212679
PNG
(2-(3-chloro-4-(trifluoromethoxy)phenyl)-5-(2-(trif...)
Show SMILES FC(F)(F)Oc1ccc(cc1Cl)C1=NC(CN1)c1ccccc1OC(F)(F)F |t:13|
Show InChI InChI=1S/C17H11ClF6N2O2/c18-11-7-9(5-6-14(11)28-17(22,23)24)15-25-8-12(26-15)10-3-1-2-4-13(10)27-16(19,20)21/h1-7,12H,8H2,(H,25,26)
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
505n/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))
BDBM50212679
PNG
(2-(3-chloro-4-(trifluoromethoxy)phenyl)-5-(2-(trif...)
Show SMILES FC(F)(F)Oc1ccc(cc1Cl)C1=NC(CN1)c1ccccc1OC(F)(F)F |t:13|
Show InChI InChI=1S/C17H11ClF6N2O2/c18-11-7-9(5-6-14(11)28-17(22,23)24)15-25-8-12(26-15)10-3-1-2-4-13(10)27-16(19,20)21/h1-7,12H,8H2,(H,25,26)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 3.48E+3n/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