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BDBM276135 2-[[1-(3-Bromo-4-fluoro-phenyl)triazol-4-yl]methoxy]-5-chloro-::US10071988, Example 42::US10233173, Example 42

SMILES: Fc1ccc(cc1Br)-n1cc(COc2ncc(Cl)cn2)nn1

InChI Key: InChIKey=BFBSNMZFDKMQHA-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 276135   
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
GluN1/GluN2B NMDA receptor


(Homo sapiens (Human))
BDBM276135
PNG
(2-[[1-(3-Bromo-4-fluoro-phenyl)triazol-4-yl]methox...)
Show SMILES Fc1ccc(cc1Br)-n1cc(COc2ncc(Cl)cn2)nn1
Show InChI InChI=1S/C13H8BrClFN5O/c14-11-3-10(1-2-12(11)16)21-6-9(19-20-21)7-22-13-17-4-8(15)5-18-13/h1-6H,7H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 3n/an/an/an/an/an/a



Lund University



Assay Description
NMDA receptors are ion channels that are highly permeable to Ca2+ ions, rendering it possible to monitor NMDA receptor function using cell-based calc...


Bioorg Med Chem 14: 1215-20 (2006)


BindingDB Entry DOI: 10.7270/Q23R0W6K
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM276135
PNG
(2-[[1-(3-Bromo-4-fluoro-phenyl)triazol-4-yl]methox...)
Show SMILES Fc1ccc(cc1Br)-n1cc(COc2ncc(Cl)cn2)nn1
Show InChI InChI=1S/C13H8BrClFN5O/c14-11-3-10(1-2-12(11)16)21-6-9(19-20-21)7-22-13-17-4-8(15)5-18-13/h1-6H,7H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 3n/an/an/an/a7.425



JANSSEN PHARMACEUTICA NV

US Patent


Assay Description
NMDA receptors are ion channels that are highly permeable to Ca2+ ions, rendering it possible to monitor NMDA receptor function using cell-based calc...


US Patent US10071988 (2018)


BindingDB Entry DOI: 10.7270/Q20Z7591
More data for this
Ligand-Target Pair