BindingDB logo
myBDB logout

null

SMILES: CC(=O)CCCN1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2

InChI Key: InChIKey=AJBYZNVVKADIDA-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 2 hits for monomerid = 50279366   
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


(Rattus norvegicus (Rat))
BDBM50279366
PNG
(1-Methyl-4-(cytisin-12-yl)-1-butanone | CHEMBL4841...)
Show SMILES CC(=O)CCCN1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 |r|
Show InChI InChI=1S/C16H22N2O2/c1-12(19)4-3-7-17-9-13-8-14(11-17)15-5-2-6-16(20)18(15)10-13/h2,5-6,13-14H,3-4,7-11H2,1H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
757n/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 subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50279366
PNG
(1-Methyl-4-(cytisin-12-yl)-1-butanone | CHEMBL4841...)
Show SMILES CC(=O)CCCN1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 |r|
Show InChI InChI=1S/C16H22N2O2/c1-12(19)4-3-7-17-9-13-8-14(11-17)15-5-2-6-16(20)18(15)10-13/h2,5-6,13-14H,3-4,7-11H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>5.00E+4n/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