BDBM50528749 CHEMBL4462677

SMILES: Nc1ccc2oc(nc2c1)N1CCN(CC1)C(=O)c1ccc(F)cc1

InChI Key: InChIKey=XXFQHFFMBQQVLR-UHFFFAOYSA-N

Data: 2 IC50

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 2 hits for monomerid = 50528749   

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
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50528749 (CHEMBL4462677) Show SMILES Nc1ccc2oc(nc2c1)N1CCN(CC1)C(=O)c1ccc(F)cc1 Show InChI InChI=1S/C18H17FN4O2/c19-13-3-1-12(2-4-13)17(24)22-7-9-23(10-8-22)18-21-15-11-14(20)5-6-16(15)25-18/h1-6,11H,7-10,20H2	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	73	n/a	n/a	n/a	n/a	n/a	n/a
Indian Institute of Technology (Banaras Hindu University) Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated with enzyme for 30 mins followed by substrate addition and m...				Eur J Med Chem 182: (2019) Article DOI: 10.1016/j.ejmech.2019.111613
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50528749 (CHEMBL4462677) Show SMILES Nc1ccc2oc(nc2c1)N1CCN(CC1)C(=O)c1ccc(F)cc1 Show InChI InChI=1S/C18H17FN4O2/c19-13-3-1-12(2-4-13)17(24)22-7-9-23(10-8-22)18-21-15-11-14(20)5-6-16(15)25-18/h1-6,11H,7-10,20H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	817	n/a	n/a	n/a	n/a	n/a	n/a
Indian Institute of Technology (Banaras Hindu University) Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate preincubated for 30 mins followed by substrate addition and measured fo...				Eur J Med Chem 182: (2019) Article DOI: 10.1016/j.ejmech.2019.111613
					More data for this Ligand-Target Pair