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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Neuronal acetylcholine receptor' and Ligand = 'BDBM50278881'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50278881
PNG
(CHEMBL496667 | cis-2-(5-Phenylpyridin-3-yl)-octahy...)
Show SMILES C1NC[C@@H]2CN(C[C@H]12)c1cncc(c1)-c1ccccc1 |r|
Show InChI InChI=1S/C17H19N3/c1-2-4-13(5-3-1)14-6-17(10-19-7-14)20-11-15-8-18-9-16(15)12-20/h1-7,10,15-16,18H,8-9,11-12H2/t15-,16+
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.160n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]cytisine from alpha4beta2 nicotinic acetylcholine receptor in rat brain minus cerebellum membrane


J Med Chem 52: 4126-41 (2009)


Article DOI: 10.1021/jm900249k
BindingDB Entry DOI: 10.7270/Q2GT5P3R
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50278881
PNG
(CHEMBL496667 | cis-2-(5-Phenylpyridin-3-yl)-octahy...)
Show SMILES C1NC[C@@H]2CN(C[C@H]12)c1cncc(c1)-c1ccccc1 |r|
Show InChI InChI=1S/C17H19N3/c1-2-4-13(5-3-1)14-6-17(10-19-7-14)20-11-15-8-18-9-16(15)12-20/h1-7,10,15-16,18H,8-9,11-12H2/t15-,16+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
4.56E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]A585539 from alpha7 nicotinic acetylcholine receptor in rat brain minus cerebellum membrane


J Med Chem 52: 4126-41 (2009)


Article DOI: 10.1021/jm900249k
BindingDB Entry DOI: 10.7270/Q2GT5P3R
More data for this
Ligand-Target Pair