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BDBM276469 2-[[1-[3-(Difluoromethyl)-4-fluoro-phenyl]triazol-4-yl]methoxy]-4,5-::US10071988, Example 408::US10233173, Example 408

SMILES: Cc1cnc(OCc2cn(nn2)-c2ccc(F)c(c2)C(F)F)nc1C

InChI Key: InChIKey=NVGYKVFFMQKJJU-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 276469   
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))
BDBM276469
PNG
(2-[[1-[3-(Difluoromethyl)-4-fluoro-phenyl]triazol-...)
Show SMILES Cc1cnc(OCc2cn(nn2)-c2ccc(F)c(c2)C(F)F)nc1C
Show InChI InChI=1S/C16H14F3N5O/c1-9-6-20-16(21-10(9)2)25-8-11-7-24(23-22-11)12-3-4-14(17)13(5-12)15(18)19/h3-7,15H,8H2,1-2H3
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 2n/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))
BDBM276469
PNG
(2-[[1-[3-(Difluoromethyl)-4-fluoro-phenyl]triazol-...)
Show SMILES Cc1cnc(OCc2cn(nn2)-c2ccc(F)c(c2)C(F)F)nc1C
Show InChI InChI=1S/C16H14F3N5O/c1-9-6-20-16(21-10(9)2)25-8-11-7-24(23-22-11)12-3-4-14(17)13(5-12)15(18)19/h3-7,15H,8H2,1-2H3
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 2n/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