BDBM50520729 CHEMBL4541936

SMILES: OCCC#Cc1cncc(OCC2(Cc3cccc(Cl)c3)CCCNC2)c1

InChI Key: InChIKey=FELNQYDJHSITSC-UHFFFAOYSA-N

Data: 1 KI

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 1 hit for monomerid = 50520729   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Acetylcholine Binding protein (Lymnaea stagnalis)	BDBM50520729 (CHEMBL4541936) Show SMILES OCCC#Cc1cncc(OCC2(Cc3cccc(Cl)c3)CCCNC2)c1 Show InChI InChI=1S/C22H25ClN2O2/c23-20-7-3-6-18(11-20)13-22(8-4-9-24-16-22)17-27-21-12-19(14-25-15-21)5-1-2-10-26/h3,6-7,11-12,14-15,24,26H,2,4,8-10,13,16-17H2	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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
					More data for this Ligand-Target Pair