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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neuronal acetylcholine receptor subunit alpha-4/beta-2' and Ligand = 'BDBM50069832'   
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 subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50069832
PNG
(CHEMBL82954 | [5-((S)-1-Methyl-pyrrolidin-2-ylmeth...)
Show SMILES CN1CCC[C@H]1COc1cncc(c1)C(=O)N1CCCC1
Show InChI InChI=1S/C16H23N3O2/c1-18-6-4-5-14(18)12-21-15-9-13(10-17-11-15)16(20)19-7-2-3-8-19/h9-11,14H,2-8,12H2,1H3/t14-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Patents

PubMed
20n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Stimulation of cation efflux in human nAChR alpha4-beta2 expressing K177 cells


Bioorg Med Chem Lett 8: 249-54 (1999)


BindingDB Entry DOI: 10.7270/Q2P26X90
More data for this
Ligand-Target Pair