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BDBM50430244 CHEMBL2332477

SMILES: O=c1cc(-c2ccccc2)c2ccccc2n1CC1CNCCO1

InChI Key: InChIKey=NCANIKGDAMBPHY-UHFFFAOYSA-N

Data: 2 EC50

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 = 50430244   
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
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50430244
PNG
(CHEMBL2332477)
Show SMILES O=c1cc(-c2ccccc2)c2ccccc2n1CC1CNCCO1
Show InChI InChI=1S/C20H20N2O2/c23-20-12-18(15-6-2-1-3-7-15)17-8-4-5-9-19(17)22(20)14-16-13-21-10-11-24-16/h1-9,12,16,21H,10-11,13-14H2
PDB

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UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 1.20E+3n/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at rat alpha7 nAChR expressed in HEK293 cells assessed as area under the curve of acetylcholine-induced response by whole-cell patch...


Bioorg Med Chem Lett 23: 1684-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.070
BindingDB Entry DOI: 10.7270/Q2M046SH
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50430244
PNG
(CHEMBL2332477)
Show SMILES O=c1cc(-c2ccccc2)c2ccccc2n1CC1CNCCO1
Show InChI InChI=1S/C20H20N2O2/c23-20-12-18(15-6-2-1-3-7-15)17-8-4-5-9-19(17)22(20)14-16-13-21-10-11-24-16/h1-9,12,16,21H,10-11,13-14H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 260n/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at rat alpha7 nAChR expressed in HEK293 cells assessed as calcium ion influx by FRET assay


Bioorg Med Chem Lett 23: 1684-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.070
BindingDB Entry DOI: 10.7270/Q2M046SH
More data for this
Ligand-Target Pair