BDBM50075594 CHEMBL3415560

SMILES: O=C1N(CCCCCCCNCc2ccccc2)C(=O)c2ccccc12

InChI Key: InChIKey=AFZKLKOFXUIXAC-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 = 50075594   

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))	BDBM50075594 (CHEMBL3415560) Show SMILES O=C1N(CCCCCCCNCc2ccccc2)C(=O)c2ccccc12 Show InChI InChI=1S/C22H26N2O2/c25-21-19-13-7-8-14-20(19)22(26)24(21)16-10-3-1-2-9-15-23-17-18-11-5-4-6-12-18/h4-8,11-14,23H,1-3,9-10,15-17H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.71E+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))	BDBM50075594 (CHEMBL3415560) Show SMILES O=C1N(CCCCCCCNCc2ccccc2)C(=O)c2ccccc12 Show InChI InChI=1S/C22H26N2O2/c25-21-19-13-7-8-14-20(19)22(26)24(21)16-10-3-1-2-9-15-23-17-18-11-5-4-6-12-18/h4-8,11-14,23H,1-3,9-10,15-17H2	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	303	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))	BDBM50075594 (CHEMBL3415560) Show SMILES O=C1N(CCCCCCCNCc2ccccc2)C(=O)c2ccccc12 Show InChI InChI=1S/C22H26N2O2/c25-21-19-13-7-8-14-20(19)22(26)24(21)16-10-3-1-2-9-15-23-17-18-11-5-4-6-12-18/h4-8,11-14,23H,1-3,9-10,15-17H2	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	249	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