BDBM50075592 CHEMBL3415565

SMILES: Fc1ccccc1CNCCCCCCCN1C(=O)c2ccccc2C1=O

InChI Key: InChIKey=ABMUIKNLWXQBLZ-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 = 50075592   

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))	BDBM50075592 (CHEMBL3415565) Show SMILES Fc1ccccc1CNCCCCCCCN1C(=O)c2ccccc2C1=O Show InChI InChI=1S/C22H25FN2O2/c23-20-13-7-4-10-17(20)16-24-14-8-2-1-3-9-15-25-21(26)18-11-5-6-12-19(18)22(25)27/h4-7,10-13,24H,1-3,8-9,14-16H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.38E+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))	BDBM50075592 (CHEMBL3415565) Show SMILES Fc1ccccc1CNCCCCCCCN1C(=O)c2ccccc2C1=O Show InChI InChI=1S/C22H25FN2O2/c23-20-13-7-4-10-17(20)16-24-14-8-2-1-3-9-15-25-21(26)18-11-5-6-12-19(18)22(25)27/h4-7,10-13,24H,1-3,8-9,14-16H2	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	329	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))	BDBM50075592 (CHEMBL3415565) Show SMILES Fc1ccccc1CNCCCCCCCN1C(=O)c2ccccc2C1=O Show InChI InChI=1S/C22H25FN2O2/c23-20-13-7-4-10-17(20)16-24-14-8-2-1-3-9-15-25-21(26)18-11-5-6-12-19(18)22(25)27/h4-7,10-13,24H,1-3,8-9,14-16H2	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	119	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