BDBM50075642 CHEMBL3415568

SMILES: Fc1ccc(CNCCCCCN2C(=O)c3ccccc3C2=O)cc1

InChI Key: InChIKey=HXEPFYKTZGQERY-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 = 50075642   

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 (Homo sapiens (Human))	BDBM50075642 (CHEMBL3415568) Show SMILES Fc1ccc(CNCCCCCN2C(=O)c3ccccc3C2=O)cc1 Show InChI InChI=1S/C20H21FN2O2/c21-16-10-8-15(9-11-16)14-22-12-4-1-5-13-23-19(24)17-6-2-3-7-18(17)20(23)25/h2-3,6-11,22H,1,4-5,12-14H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	268	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE after 5 mins by Ellman's method				Eur J Med Chem 92: 738-49 (2015) Article DOI: 10.1016/j.ejmech.2015.01.027 BindingDB Entry DOI: 10.7270/Q23T9JXZ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50075642 (CHEMBL3415568) Show SMILES Fc1ccc(CNCCCCCN2C(=O)c3ccccc3C2=O)cc1 Show InChI InChI=1S/C20H21FN2O2/c21-16-10-8-15(9-11-16)14-22-12-4-1-5-13-23-19(24)17-6-2-3-7-18(17)20(23)25/h2-3,6-11,22H,1,4-5,12-14H2	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	219	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Inhibition of Electrophorus electricus AChE after 5 mins by Ellman's method				Eur J Med Chem 92: 738-49 (2015) Article DOI: 10.1016/j.ejmech.2015.01.027 BindingDB Entry DOI: 10.7270/Q23T9JXZ
					More data for this Ligand-Target Pair