BDBM50139007 CHEMBL3754287

SMILES: COc1cccc(CCCCCCCCN2CCCC2)c1

InChI Key: InChIKey=ICIIOKBNLCNHRA-UHFFFAOYSA-N

Data: 1 KI  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 3 hits for monomerid = 50139007   

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))	BDBM50139007 (CHEMBL3754287) Show SMILES COc1cccc(CCCCCCCCN2CCCC2)c1 Show InChI InChI=1S/C19H31NO/c1-21-19-13-10-12-18(17-19)11-6-4-2-3-5-7-14-20-15-8-9-16-20/h10,12-13,17H,2-9,11,14-16H2,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.24E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bras£lia Curated by ChEMBL					Assay Description Mixed inhibition of electric eel acetylcholine esterase using acetylcholine iodide as substrate by Ellman's method				Eur J Med Chem 108: 687-700 (2016) BindingDB Entry DOI: 10.7270/Q20R9R7V
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50139007 (CHEMBL3754287) Show SMILES COc1cccc(CCCCCCCCN2CCCC2)c1 Show InChI InChI=1S/C19H31NO/c1-21-19-13-10-12-18(17-19)11-6-4-2-3-5-7-14-20-15-8-9-16-20/h10,12-13,17H,2-9,11,14-16H2,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.96E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Bras£lia Curated by ChEMBL					Assay Description Inhibition of electric eel acetylcholine esterase preincubated for 10 mins followed by the addition of acetylcholine iodide as substrate measured aft...				Eur J Med Chem 108: 687-700 (2016) BindingDB Entry DOI: 10.7270/Q20R9R7V
					More data for this Ligand-Target Pair
Butyrylcholinesterase (BuChE) (Equus caballus (Horse))	BDBM50139007 (CHEMBL3754287) Show SMILES COc1cccc(CCCCCCCCN2CCCC2)c1 Show InChI InChI=1S/C19H31NO/c1-21-19-13-10-12-18(17-19)11-6-4-2-3-5-7-14-20-15-8-9-16-20/h10,12-13,17H,2-9,11,14-16H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.64E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Bras£lia Curated by ChEMBL					Assay Description Inhibition of horse butyrylcholine esterase preincubated for 10 mins followed by the addition of butyrylcholine iodide as substrate measured after 5 ...				Eur J Med Chem 108: 687-700 (2016) BindingDB Entry DOI: 10.7270/Q20R9R7V
					More data for this Ligand-Target Pair