BindingDB logo
myBDB logout

null

SMILES: CCc1nccn1Cc1cn(nn1)-c1cccc(OC(F)(F)F)c1

InChI Key: InChIKey=ZUBNWKBIEHKLQD-UHFFFAOYSA-N

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 3 hits for monomerid = 396865   
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
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM396865
PNG
(US9981950, Example 72)
Show SMILES CCc1nccn1Cc1cn(nn1)-c1cccc(OC(F)(F)F)c1
Show InChI InChI=1S/C15H14F3N5O/c1-2-14-19-6-7-22(14)9-11-10-23(21-20-11)12-4-3-5-13(8-12)24-15(16,17)18/h3-8,10H,2,9H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 11.4n/an/an/an/an/an/a



Anadys Pharmaceuticals



Assay Description
Cells were split 2-3 times weekly between 1:3 and 1:4. For binding assays and membrane preparations the cell culture medium was removed, cells were w...


Bioorg Med Chem Lett 19: 451-8 (2009)


BindingDB Entry DOI: 10.7270/Q2TH8Q1D
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM396865
PNG
(US9981950, Example 72)
Show SMILES CCc1nccn1Cc1cn(nn1)-c1cccc(OC(F)(F)F)c1
Show InChI InChI=1S/C15H14F3N5O/c1-2-14-19-6-7-22(14)9-11-10-23(21-20-11)12-4-3-5-13(8-12)24-15(16,17)18/h3-8,10H,2,9H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 11.4n/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
TBD


Bioorg Med Chem Lett 18: 3168-72 (2008)


BindingDB Entry DOI: 10.7270/Q2JW8H7X
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM396865
PNG
(US9981950, Example 72)
Show SMILES CCc1nccn1Cc1cn(nn1)-c1cccc(OC(F)(F)F)c1
Show InChI InChI=1S/C15H14F3N5O/c1-2-14-19-6-7-22(14)9-11-10-23(21-20-11)12-4-3-5-13(8-12)24-15(16,17)18/h3-8,10H,2,9H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 11.4n/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
Male Wistar rats (180 to 200 g) were killed by suffocation in a CO2 chamber for two minutes. Whole brains without cerebellum were removed and dissect...


Bioorg Med Chem Lett 18: 3168-72 (2008)


BindingDB Entry DOI: 10.7270/Q2JW8H7X
More data for this
Ligand-Target Pair