BDBM50520731 CHEMBL4558905

SMILES: FC(F)(F)c1ccc(CC2(COc3cccnc3)CCCNC2)cc1

InChI Key: InChIKey=YNCMUJYZOUDEPS-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 = 50520731   

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)	BDBM50520731 (CHEMBL4558905) Show SMILES FC(F)(F)c1ccc(CC2(COc3cccnc3)CCCNC2)cc1 Show InChI InChI=1S/C19H21F3N2O/c20-19(21,22)16-6-4-15(5-7-16)11-18(8-2-10-24-13-18)14-25-17-3-1-9-23-12-17/h1,3-7,9,12,24H,2,8,10-11,13-14H2	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	12	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