BDBM50065051 CHEMBL3402712

SMILES: Cl.CN(CCCCCN1C(=O)c2ccccc2C1=O)Cc1ccccc1F

InChI Key: InChIKey=VRUXWXIOFPJXNW-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 = 50065051   

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))	BDBM50065051 (CHEMBL3402712) Show SMILES Cl.CN(CCCCCN1C(=O)c2ccccc2C1=O)Cc1ccccc1F Show InChI InChI=1S/C21H23FN2O2.ClH/c1-23(15-16-9-3-6-12-19(16)22)13-7-2-8-14-24-20(25)17-10-4-5-11-18(17)21(24)26;/h3-6,9-12H,2,7-8,13-15H2,1H3;1H	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	67	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 pre-incubated for 5 mins before addition of acetylthiocholine iodide substrate by Ellman's assay				Bioorg Med Chem 23: 1629-37 (2015) Article DOI: 10.1016/j.bmc.2015.01.045 BindingDB Entry DOI: 10.7270/Q2PN979Q
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50065051 (CHEMBL3402712) Show SMILES Cl.CN(CCCCCN1C(=O)c2ccccc2C1=O)Cc1ccccc1F Show InChI InChI=1S/C21H23FN2O2.ClH/c1-23(15-16-9-3-6-12-19(16)22)13-7-2-8-14-24-20(25)17-10-4-5-11-18(17)21(24)26;/h3-6,9-12H,2,7-8,13-15H2,1H3;1H	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	525	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 pre-incubated for 5 mins before addition of acetylthiocholine iodide substrate by Ellman's assay				Bioorg Med Chem 23: 1629-37 (2015) Article DOI: 10.1016/j.bmc.2015.01.045 BindingDB Entry DOI: 10.7270/Q2PN979Q
					More data for this Ligand-Target Pair