BindingDB logo
myBDB logout

BDBM50143310 (3aS,9bR)-1-Methyl-8-nonyl-2,3,3a,4,5,9b-hexahydro-1H-pyrrolo[3,2-h]isoquinolin-8-ium; iodide::(3aS,9bR)-1-methyl-8-nonyl-2,3,3a,4,5,9b-hexahydro-1H-pyrrolo[3,2-h]isoquinolin-8-ium iodide::CHEMBL52088

SMILES: CCCCCCCCC[n+]1ccc2CC[C@H]3CCN(C)[C@H]3c2c1

InChI Key: InChIKey=YIYBCGDAIAESSK-PZJWPPBQSA-N

Data: 1 IC50

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 = 50143310   
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 protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50143310
PNG
((3aS,9bR)-1-Methyl-8-nonyl-2,3,3a,4,5,9b-hexahydro...)
Show SMILES CCCCCCCCC[n+]1ccc2CC[C@H]3CCN(C)[C@H]3c2c1
Show InChI InChI=1S/C21H35N2/c1-3-4-5-6-7-8-9-14-23-16-13-18-10-11-19-12-15-22(2)21(19)20(18)17-23/h13,16-17,19,21H,3-12,14-15H2,1-2H3/q+1/t19-,21+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 660n/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against nAChR mediated nicotine-evoked [3H]-DA overflow using rat striatal slices


Bioorg Med Chem Lett 14: 1869-74 (2004)


Article DOI: 10.1016/j.bmcl.2003.10.074
BindingDB Entry DOI: 10.7270/Q21N80JP
More data for this
Ligand-Target Pair