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SMILES: CN1CCCC1COc1cccnc1

InChI Key: InChIKey=MVLJPWPLDPHKST-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50475216   
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-4/beta-2


(Rattus norvegicus (Rat))
BDBM50475216
PNG
(CHEMBL189064)
Show SMILES CN1CCCC1COc1cccnc1
Show InChI InChI=1S/C11H16N2O/c1-13-7-3-4-10(13)9-14-11-5-2-6-12-8-11/h2,5-6,8,10H,3-4,7,9H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
0.150n/an/an/an/an/an/an/an/a



Swiss Federal Institute of Technology Zurich

Curated by ChEMBL


Assay Description
Displacement of [3H]-cytisine from Alpha4-beta2 Nicotinic acetylcholine receptor of rat brain homogenates


J Med Chem 48: 5123-30 (2005)


Article DOI: 10.1021/jm040881a
BindingDB Entry DOI: 10.7270/Q2PR7ZQ2
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-4


(Rattus norvegicus (Rat))
BDBM50475216
PNG
(CHEMBL189064)
Show SMILES CN1CCCC1COc1cccnc1
Show InChI InChI=1S/C11H16N2O/c1-13-7-3-4-10(13)9-14-11-5-2-6-12-8-11/h2,5-6,8,10H,3-4,7,9H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 6.30E+4n/an/an/an/a



Swiss Federal Institute of Technology Zurich

Curated by ChEMBL


Assay Description
Effective concentration against alpha3-beta4 nicotinic acetylcholine receptor (nAChR) expressed in IMR32 cell


J Med Chem 48: 5123-30 (2005)


Article DOI: 10.1021/jm040881a
BindingDB Entry DOI: 10.7270/Q2PR7ZQ2
More data for this
Ligand-Target Pair