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BDBM50279209 CHEMBL498277::N-[2-(Pyridin-2-yl)ethyl]cytisine

SMILES: O=c1cccc2[C@@H]3C[C@@H](CN(CCc4ccccn4)C3)Cn12

InChI Key: InChIKey=MZNMBSTVKXFARX-PVRQQBJHNA-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 = 50279209   
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


(Rattus norvegicus (Rat))
BDBM50279209
PNG
(CHEMBL498277 | N-[2-(Pyridin-2-yl)ethyl]cytisine)
Show SMILES O=c1cccc2[C@@H]3C[C@@H](CN(CCc4ccccn4)C3)Cn12
Show InChI InChI=1/C18H21N3O/c22-18-6-3-5-17-15-10-14(12-21(17)18)11-20(13-15)9-7-16-4-1-2-8-19-16/h1-6,8,14-15H,7,9-13H2/t14-,15+/s2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
941n/an/an/an/an/an/an/an/a



Università degli Studi di Genova

Curated by ChEMBL


Assay Description
Displacement of (+/-)-[3H]epibatidine from alpha4beta2 nicotinic acetylcholine receptor in rat brain cortex membrane homogenates


J Med Chem 52: 4345-57 (2009)


Article DOI: 10.1021/jm900225j
BindingDB Entry DOI: 10.7270/Q2K64J03
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50279209
PNG
(CHEMBL498277 | N-[2-(Pyridin-2-yl)ethyl]cytisine)
Show SMILES O=c1cccc2[C@@H]3C[C@@H](CN(CCc4ccccn4)C3)Cn12
Show InChI InChI=1/C18H21N3O/c22-18-6-3-5-17-15-10-14(12-21(17)18)11-20(13-15)9-7-16-4-1-2-8-19-16/h1-6,8,14-15H,7,9-13H2/t14-,15+/s2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+5n/an/an/an/an/an/an/an/a



Università degli Studi di Genova

Curated by ChEMBL


Assay Description
Displacement of [125I]alpha-bungarotoxin from alpha7 nicotinic acetylcholine receptor in rat brain cortex membrane homogenates


J Med Chem 52: 4345-57 (2009)


Article DOI: 10.1021/jm900225j
BindingDB Entry DOI: 10.7270/Q2K64J03
More data for this
Ligand-Target Pair