BindingDB logo
myBDB logout

null

SMILES: O=C(OC1CCCN(CCCc2ccccc2)C1)c1ccccc1-c1ccccc1

InChI Key: InChIKey=BYPTZPWHXISYDL-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 1 hit for monomerid = 50419821   
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


(Homo sapiens (Human))		BDBM50419821
PNG
(CHEMBL1950639)
Show SMILES O=C(OC1CCCN(CCCc2ccccc2)C1)c1ccccc1-c1ccccc1
Show InChI InChI=1S/C27H29NO2/c29-27(26-18-8-7-17-25(26)23-14-5-2-6-15-23)30-24-16-10-20-28(21-24)19-9-13-22-11-3-1-4-12-22/h1-8,11-12,14-15,17-18,24H,9-10,13,16,19-21H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 6.50E+3n/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Antagonist activity at human nAChR alpha4/beta2 receptor expressed in HEK ts201 cells assessed as calcium accumulation by fluorescence analysis

Bioorg Med Chem Lett 22: 1797-813 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.051
BindingDB Entry DOI: 10.7270/Q22Z16S2
More data for this
Ligand-Target Pair