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BDBM276617 2-[[1-[3-(1,1-Difluoroethyl)-4-fluoro-phenyl]triazol-4-yl]methoxy]-4-::US10071988, Example 557::US10233173, Example 557

SMILES: Cc1ccnc(OCc2cn(nn2)-c2ccc(F)c(c2)C(C)(F)F)c1

InChI Key: InChIKey=OQLCIVJZDQEQSL-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 = 276617   
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))
BDBM276617
PNG
(2-[[1-[3-(1,1-Difluoroethyl)-4-fluoro-phenyl]triaz...)
Show SMILES Cc1ccnc(OCc2cn(nn2)-c2ccc(F)c(c2)C(C)(F)F)c1
Show InChI InChI=1S/C17H15F3N4O/c1-11-5-6-21-16(7-11)25-10-12-9-24(23-22-12)13-3-4-15(18)14(8-13)17(2,19)20/h3-9H,10H2,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 246n/an/an/an/an/an/a



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 US10233173 (2019)

More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM276617
PNG
(2-[[1-[3-(1,1-Difluoroethyl)-4-fluoro-phenyl]triaz...)
Show SMILES Cc1ccnc(OCc2cn(nn2)-c2ccc(F)c(c2)C(C)(F)F)c1
Show InChI InChI=1S/C17H15F3N4O/c1-11-5-6-21-16(7-11)25-10-12-9-24(23-22-12)13-3-4-15(18)14(8-13)17(2,19)20/h3-9H,10H2,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 246n/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