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SMILES: OCCC#Cc1ccc(OCC2(Cc3cccc(Cl)c3)CCCNC2)cn1

InChI Key: InChIKey=KVFPOMUPXTUTOY-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50520714   
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
Acetylcholine-binding protein


(Lymnaea stagnalis)		BDBM50520714
PNG
(CHEMBL4533711)
Show SMILES OCCC#Cc1ccc(OCC2(Cc3cccc(Cl)c3)CCCNC2)cn1
Show InChI InChI=1S/C22H25ClN2O2/c23-19-6-3-5-18(13-19)14-22(10-4-11-24-16-22)17-27-21-9-8-20(25-15-21)7-1-2-12-26/h3,5-6,8-9,13,15,24,26H,2,4,10-12,14,16-17H2
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 29n/an/an/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from Lymnaea stagnalis acetylcholine-binding protein incubated for 60 mins followed by 3 hrs incubation in dark condi...

Eur J Med Chem 160: 37-48 (2018)


Article DOI: 10.1016/j.ejmech.2018.09.073
BindingDB Entry DOI: 10.7270/Q2QV3QXP
More data for this
Ligand-Target Pair