BDBM50353683 CHEMBL1830628

SMILES: O=C(CCNCCCNc1c2CCCCc2nc2ccccc12)Nc1ccc-2c(c1)C(=O)c1cccc3ccnc-2c13

InChI Key: InChIKey=DJFVILMGABHEQT-UHFFFAOYSA-N

Data: 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 2 hits for monomerid = 50353683   

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))	BDBM50353683 (CHEMBL1830628) Show SMILES O=C(CCNCCCNc1c2CCCCc2nc2ccccc12)Nc1ccc-2c(c1)C(=O)c1cccc3ccnc-2c13 Show InChI InChI=1S/C35H33N5O2/c41-31(39-23-13-14-24-28(21-23)35(42)27-10-5-7-22-15-20-38-34(24)32(22)27)16-19-36-17-6-18-37-33-25-8-1-3-11-29(25)40-30-12-4-2-9-26(30)33/h1,3,5,7-8,10-11,13-15,20-21,36H,2,4,6,9,12,16-19H2,(H,37,40)(H,39,41)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	57.1	n/a	n/a	n/a	n/a	n/a	n/a
Guangxi Normal University Curated by ChEMBL					Assay Description Inhibition of Electrophorus electricus AChE using acetylthiocholine chloride as substrate after 15 mins by Ellman's method				Eur J Med Chem 46: 4970-9 (2011) Article DOI: 10.1016/j.ejmech.2011.08.002 BindingDB Entry DOI: 10.7270/Q20C4W5X
					More data for this Ligand-Target Pair
Butyrylcholinesterase (BuChE) (Equus caballus (Horse))	BDBM50353683 (CHEMBL1830628) Show SMILES O=C(CCNCCCNc1c2CCCCc2nc2ccccc12)Nc1ccc-2c(c1)C(=O)c1cccc3ccnc-2c13 Show InChI InChI=1S/C35H33N5O2/c41-31(39-23-13-14-24-28(21-23)35(42)27-10-5-7-22-15-20-38-34(24)32(22)27)16-19-36-17-6-18-37-33-25-8-1-3-11-29(25)40-30-12-4-2-9-26(30)33/h1,3,5,7-8,10-11,13-15,20-21,36H,2,4,6,9,12,16-19H2,(H,37,40)(H,39,41)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	199	n/a	n/a	n/a	n/a	n/a	n/a
Guangxi Normal University Curated by ChEMBL					Assay Description Inhibition of equine serum BChE using acetylthiocholine chloride as substrate after 15 mins by Ellman's method				Eur J Med Chem 46: 4970-9 (2011) Article DOI: 10.1016/j.ejmech.2011.08.002 BindingDB Entry DOI: 10.7270/Q20C4W5X
					More data for this Ligand-Target Pair