BDBM50075587 CHEMBL3415574

SMILES: Fc1ccc(CNCCCCCCN2C(=O)c3ccccc3C2=O)c(F)c1

InChI Key: InChIKey=RAMACCWHONZEEF-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 = 50075587   

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
Butyrylcholinesterase (BuChE) (Equus caballus (Horse))	BDBM50075587 (CHEMBL3415574) Show SMILES Fc1ccc(CNCCCCCCN2C(=O)c3ccccc3C2=O)c(F)c1 Show InChI InChI=1S/C21H22F2N2O2/c22-16-10-9-15(19(23)13-16)14-24-11-5-1-2-6-12-25-20(26)17-7-3-4-8-18(17)21(25)27/h3-4,7-10,13,24H,1-2,5-6,11-12,14H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE 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 (Homo sapiens (Human))	BDBM50075587 (CHEMBL3415574) Show SMILES Fc1ccc(CNCCCCCCN2C(=O)c3ccccc3C2=O)c(F)c1 Show InChI InChI=1S/C21H22F2N2O2/c22-16-10-9-15(19(23)13-16)14-24-11-5-1-2-6-12-25-20(26)17-7-3-4-8-18(17)21(25)27/h3-4,7-10,13,24H,1-2,5-6,11-12,14H2	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	1.60E+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 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))	BDBM50075587 (CHEMBL3415574) Show SMILES Fc1ccc(CNCCCCCCN2C(=O)c3ccccc3C2=O)c(F)c1 Show InChI InChI=1S/C21H22F2N2O2/c22-16-10-9-15(19(23)13-16)14-24-11-5-1-2-6-12-25-20(26)17-7-3-4-8-18(17)21(25)27/h3-4,7-10,13,24H,1-2,5-6,11-12,14H2	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	229	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