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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Neuronal acetylcholine receptor subunit alpha-2' and Ligand = 'BDBM50047021'   
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-2


(Rattus norvegicus (Rat))
BDBM50047021
PNG
(2-(6-(2-hydroxy-2-phenylethyl)-1-methylpiperidin-2...)
Show SMILES CN1C(CC(O)c2ccccc2)CCCC1CC(=O)c1ccccc1
Show InChI InChI=1S/C22H27NO2/c1-23-19(15-21(24)17-9-4-2-5-10-17)13-8-14-20(23)16-22(25)18-11-6-3-7-12-18/h2-7,9-12,19-21,24H,8,13-16H2,1H3
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CHEMBL
PC cid
PC sid
PDB
UniChem

Patents

Article
PubMed
1.60n/an/an/an/an/an/an/an/a



The Danish University of Pharmaceutical Sciences

Curated by PDSP Ki Database




Mol Pharmacol 64: 865-75 (2003)


Article DOI: 10.1124/mol.64.4.865
BindingDB Entry DOI: 10.7270/Q2RX99PV
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-2


(Rattus norvegicus (Rat))
BDBM50047021
PNG
(2-(6-(2-hydroxy-2-phenylethyl)-1-methylpiperidin-2...)
Show SMILES CN1C(CC(O)c2ccccc2)CCCC1CC(=O)c1ccccc1
Show InChI InChI=1S/C22H27NO2/c1-23-19(15-21(24)17-9-4-2-5-10-17)13-8-14-20(23)16-22(25)18-11-6-3-7-12-18/h2-7,9-12,19-21,24H,8,13-16H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem

Patents

Article
PubMed
280n/an/an/an/an/an/an/an/a



The Danish University of Pharmaceutical Sciences

Curated by PDSP Ki Database




Mol Pharmacol 64: 865-75 (2003)


Article DOI: 10.1124/mol.64.4.865
BindingDB Entry DOI: 10.7270/Q2RX99PV
More data for this
Ligand-Target Pair