BDBM50353689 CHEMBL1830630

SMILES: O=C(CNCCNc1c2CCCCCc2nc2ccccc12)Nc1ccc-2c(c1)C(=O)c1cccc3ccnc-2c13

InChI Key: InChIKey=LOHRAGBTUWVJJT-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 = 50353689   

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))	BDBM50353689 (CHEMBL1830630) Show SMILES O=C(CNCCNc1c2CCCCCc2nc2ccccc12)Nc1ccc-2c(c1)C(=O)c1cccc3ccnc-2c13 Show InChI InChI=1S/C34H31N5O2/c40-30(20-35-17-18-37-32-24-8-2-1-3-11-28(24)39-29-12-5-4-9-25(29)32)38-22-13-14-23-27(19-22)34(41)26-10-6-7-21-15-16-36-33(23)31(21)26/h4-7,9-10,12-16,19,35H,1-3,8,11,17-18,20H2,(H,37,39)(H,38,40)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	211	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
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50353689 (CHEMBL1830630) Show SMILES O=C(CNCCNc1c2CCCCCc2nc2ccccc12)Nc1ccc-2c(c1)C(=O)c1cccc3ccnc-2c13 Show InChI InChI=1S/C34H31N5O2/c40-30(20-35-17-18-37-32-24-8-2-1-3-11-28(24)39-29-12-5-4-9-25(29)32)38-22-13-14-23-27(19-22)34(41)26-10-6-7-21-15-16-36-33(23)31(21)26/h4-7,9-10,12-16,19,35H,1-3,8,11,17-18,20H2,(H,37,39)(H,38,40)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	61	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