BDBM50065052 CHEMBL3402713

SMILES: Cl.CN(CCCCCCN1C(=O)c2ccccc2C1=O)Cc1ccccc1F

InChI Key: InChIKey=DUJNRMQGCRHZIP-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50065052   

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))	BDBM50065052 (CHEMBL3402713) Show SMILES Cl.CN(CCCCCCN1C(=O)c2ccccc2C1=O)Cc1ccccc1F Show InChI InChI=1S/C22H25FN2O2.ClH/c1-24(16-17-10-4-7-13-20(17)23)14-8-2-3-9-15-25-21(26)18-11-5-6-12-19(18)22(25)27;/h4-7,10-13H,2-3,8-9,14-16H2,1H3;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	1.99E+3	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
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50065052 (CHEMBL3402713) Show SMILES Cl.CN(CCCCCCN1C(=O)c2ccccc2C1=O)Cc1ccccc1F Show InChI InChI=1S/C22H25FN2O2.ClH/c1-24(16-17-10-4-7-13-20(17)23)14-8-2-3-9-15-25-21(26)18-11-5-6-12-19(18)22(25)27;/h4-7,10-13H,2-3,8-9,14-16H2,1H3;1H	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	75	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
Butyrylcholinesterase (BuChE) (Equus caballus (Horse))	BDBM50065052 (CHEMBL3402713) Show SMILES Cl.CN(CCCCCCN1C(=O)c2ccccc2C1=O)Cc1ccccc1F Show InChI InChI=1S/C22H25FN2O2.ClH/c1-24(16-17-10-4-7-13-20(17)23)14-8-2-3-9-15-25-21(26)18-11-5-6-12-19(18)22(25)27;/h4-7,10-13H,2-3,8-9,14-16H2,1H3;1H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.05E+4	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Inhibition of BuChE in horse serum pre-incubated for 5 mins before addition of butyrylthiocholine 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