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BDBM50124907 4-trifluoromethoxy-N-(2-trifluoromethyl-benzyl)-benzamidine::CHEMBL159279

SMILES: NC(=NCc1ccccc1C(F)(F)F)c1ccc(OC(F)(F)F)cc1

InChI Key: InChIKey=YGOCAMFQDLFNQK-UHFFFAOYSA-N

Data: 3 KI  3 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50124907   
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


(Rattus norvegicus (Rat))
BDBM50124907
PNG
(4-trifluoromethoxy-N-(2-trifluoromethyl-benzyl)-be...)
Show SMILES NC(=NCc1ccccc1C(F)(F)F)c1ccc(OC(F)(F)F)cc1 |w:2.2|
Show InChI InChI=1S/C16H12F6N2O/c17-15(18,19)13-4-2-1-3-11(13)9-24-14(23)10-5-7-12(8-6-10)25-16(20,21)22/h1-8H,9H2,(H2,23,24)
PDB

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CHEMBL
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PC sid
UniChem

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Article
PubMed
8.10n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Displacement of [3H]ifenprodil from Wistar rat GluN2B receptor after 2 hrs by liquid scintillation spectrometry


Bioorg Med Chem Lett 24: 828-30 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.087
BindingDB Entry DOI: 10.7270/Q2XK8H20
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Homo sapiens (Human))
BDBM50124907
PNG
(4-trifluoromethoxy-N-(2-trifluoromethyl-benzyl)-be...)
Show SMILES NC(=NCc1ccccc1C(F)(F)F)c1ccc(OC(F)(F)F)cc1 |w:2.2|
Show InChI InChI=1S/C16H12F6N2O/c17-15(18,19)13-4-2-1-3-11(13)9-24-14(23)10-5-7-12(8-6-10)25-16(20,21)22/h1-8H,9H2,(H2,23,24)
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72n/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))
BDBM50124907
PNG
(4-trifluoromethoxy-N-(2-trifluoromethyl-benzyl)-be...)
Show SMILES NC(=NCc1ccccc1C(F)(F)F)c1ccc(OC(F)(F)F)cc1 |w:2.2|
Show InChI InChI=1S/C16H12F6N2O/c17-15(18,19)13-4-2-1-3-11(13)9-24-14(23)10-5-7-12(8-6-10)25-16(20,21)22/h1-8H,9H2,(H2,23,24)
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72n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of the response to NMDA glutamate/glycine receptor NR2B subtype was determined using FLIPR assay


Bioorg Med Chem Lett 13: 697-700 (2003)


BindingDB Entry DOI: 10.7270/Q2FX78TP
More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor


(Homo sapiens (Human))
BDBM50124907
PNG
(4-trifluoromethoxy-N-(2-trifluoromethyl-benzyl)-be...)
Show SMILES NC(=NCc1ccccc1C(F)(F)F)c1ccc(OC(F)(F)F)cc1 |w:2.2|
Show InChI InChI=1S/C16H12F6N2O/c17-15(18,19)13-4-2-1-3-11(13)9-24-14(23)10-5-7-12(8-6-10)25-16(20,21)22/h1-8H,9H2,(H2,23,24)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of the response to NMDA glutamate/glycine receptor NR2A subtype was determined using FLIPR assay


Bioorg Med Chem Lett 13: 697-700 (2003)


BindingDB Entry DOI: 10.7270/Q2FX78TP
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Homo sapiens (Human))
BDBM50124907
PNG
(4-trifluoromethoxy-N-(2-trifluoromethyl-benzyl)-be...)
Show SMILES NC(=NCc1ccccc1C(F)(F)F)c1ccc(OC(F)(F)F)cc1 |w:2.2|
Show InChI InChI=1S/C16H12F6N2O/c17-15(18,19)13-4-2-1-3-11(13)9-24-14(23)10-5-7-12(8-6-10)25-16(20,21)22/h1-8H,9H2,(H2,23,24)
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PubMed
n/an/a 47n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of the response to NMDA glutamate/glycine receptor NR2B subtype was determined using FLIPR assay


Bioorg Med Chem Lett 13: 697-700 (2003)


BindingDB Entry DOI: 10.7270/Q2FX78TP
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Homo sapiens (Human))
BDBM50124907
PNG
(4-trifluoromethoxy-N-(2-trifluoromethyl-benzyl)-be...)
Show SMILES NC(=NCc1ccccc1C(F)(F)F)c1ccc(OC(F)(F)F)cc1 |w:2.2|
Show InChI InChI=1S/C16H12F6N2O/c17-15(18,19)13-4-2-1-3-11(13)9-24-14(23)10-5-7-12(8-6-10)25-16(20,21)22/h1-8H,9H2,(H2,23,24)
PDB
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NCI pathway
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KEGG

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CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 47n/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