new BindingDB logo
myBDB logout

BDBM221041 US9284322, Table 6, Compound 7

SMILES: Fc1cc(ccn1)-c1cc(cnc1F)C1CC2CCC1N2

InChI Key: InChIKey=IIGJCDVRPZDYQZ-UHFFFAOYNA-N

Data: 2 KI

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 = 221041   
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
nAChR alpha4 beta2 subtype


(Rattus norvegicus (Rat))
BDBM221041
PNG
(US9284322, Table 6, Compound 7)
Show SMILES Fc1cc(ccn1)-c1cc(cnc1F)C1CC2CCC1N2 |THB:9:14:17.18:20|
Show InChI InChI=1/C16H15F2N3/c17-15-6-9(3-4-19-15)13-5-10(8-20-16(13)18)12-7-11-1-2-14(12)21-11/h3-6,8,11-12,14,21H,1-2,7H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.0670 -13.9n/an/an/an/an/a7.425



Research Triangle Institute

US Patent


Assay Description
Adult male rat cerebral cortices (Pelfreeze Biological, Rogers, Ark.) were homogenized in 39 volumes of ice-cold 50 mM Tris buffer (pH 7.4 at 4 C.) ...


US Patent US9284322 (2016)


BindingDB Entry DOI: 10.7270/Q2QV3KCV
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM221041
PNG
(US9284322, Table 6, Compound 7)
Show SMILES Fc1cc(ccn1)-c1cc(cnc1F)C1CC2CCC1N2 |THB:9:14:17.18:20|
Show InChI InChI=1/C16H15F2N3/c17-15-6-9(3-4-19-15)13-5-10(8-20-16(13)18)12-7-11-1-2-14(12)21-11/h3-6,8,11-12,14,21H,1-2,7H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
7.30E+3n/an/an/an/an/an/a7.4n/a



Research Triangle Institute

US Patent


Assay Description
Adult male rat cerebral cortices (Pel-Freez Biologicals, Rogers, Ark.) were homogenized (polytron) in 39 volumes of ice-cold 50 mM Tris buffer (assay...


US Patent US9284322 (2016)


BindingDB Entry DOI: 10.7270/Q2QV3KCV
More data for this
Ligand-Target Pair