BDBM50160250 CHEMBL3785472

SMILES: CCCCCCCNC(=O)Oc1ccc2N(C)C(N(Cc2c1)C(C)C)c1ccccc1

InChI Key: InChIKey=DFFDKRZSZRYYMY-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 50160250   

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))	BDBM50160250 (CHEMBL3785472) Show SMILES CCCCCCCNC(=O)Oc1ccc2N(C)C(N(Cc2c1)C(C)C)c1ccccc1 Show InChI InChI=1S/C26H37N3O2/c1-5-6-7-8-12-17-27-26(30)31-23-15-16-24-22(18-23)19-29(20(2)3)25(28(24)4)21-13-10-9-11-14-21/h9-11,13-16,18,20,25H,5-8,12,17,19H2,1-4H3,(H,27,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Universit£t W£rzburg Curated by ChEMBL					Assay Description Inhibition of equine serum butyrylcholinesterase using butyrylcholine iodide as substrate preincubated for 30 mins followed by substrate addition mea...				J Med Chem 59: 2067-82 (2016) BindingDB Entry DOI: 10.7270/Q25H7J4D
					More data for this Ligand-Target Pair