BDBM50520728 CHEMBL4447431

SMILES: Clc1ccccc1CC1(COc2cccnc2)CCCNC1

InChI Key: InChIKey=CJIDCJTWAWZHJI-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 = 50520728   

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)	BDBM50520728 (CHEMBL4447431) Show SMILES Clc1ccccc1CC1(COc2cccnc2)CCCNC1 Show InChI InChI=1S/C18H21ClN2O/c19-17-7-2-1-5-15(17)11-18(8-4-10-21-13-18)14-22-16-6-3-9-20-12-16/h1-3,5-7,9,12,21H,4,8,10-11,13-14H2	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	13	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