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BDBM221035 US9284322, Table 6, Compound 1

SMILES: Fc1ncc(cc1-c1cccnc1)C1CC2CCC1N2

InChI Key: InChIKey=YNZDJAQJOUFZIH-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 = 221035   
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))
BDBM221035
PNG
(US9284322, Table 6, Compound 1)
Show SMILES Fc1ncc(cc1-c1cccnc1)C1CC2CCC1N2 |THB:4:13:16.17:19|
Show InChI InChI=1/C16H16FN3/c17-16-14(10-2-1-5-18-8-10)6-11(9-19-16)13-7-12-3-4-15(13)20-12/h1-2,5-6,8-9,12-13,15,20H,3-4,7H2
PDB
MMDB

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KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.350 -12.9n/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))
BDBM221035
PNG
(US9284322, Table 6, Compound 1)
Show SMILES Fc1ncc(cc1-c1cccnc1)C1CC2CCC1N2 |THB:4:13:16.17:19|
Show InChI InChI=1/C16H16FN3/c17-16-14(10-2-1-5-18-8-10)6-11(9-19-16)13-7-12-3-4-15(13)20-12/h1-2,5-6,8-9,12-13,15,20H,3-4,7H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
5.50E+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