BDBM50353679 CHEMBL1830633

SMILES: O=C(CCNCCCCNc1c2CCCCCc2nc2ccccc12)Nc1ccc-2c(c1)C(=O)c1cccc3ccnc-2c13

InChI Key: InChIKey=AZJSQHOYALXJEK-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 = 50353679   

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))	BDBM50353679 (CHEMBL1830633) Show SMILES O=C(CCNCCCCNc1c2CCCCCc2nc2ccccc12)Nc1ccc-2c(c1)C(=O)c1cccc3ccnc-2c13 Show InChI InChI=1S/C37H37N5O2/c43-33(41-25-15-16-26-30(23-25)37(44)29-12-8-9-24-17-22-40-36(26)34(24)29)18-21-38-19-6-7-20-39-35-27-10-2-1-3-13-31(27)42-32-14-5-4-11-28(32)35/h4-5,8-9,11-12,14-17,22-23,38H,1-3,6-7,10,13,18-21H2,(H,39,42)(H,41,43)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	745	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))	BDBM50353679 (CHEMBL1830633) Show SMILES O=C(CCNCCCCNc1c2CCCCCc2nc2ccccc12)Nc1ccc-2c(c1)C(=O)c1cccc3ccnc-2c13 Show InChI InChI=1S/C37H37N5O2/c43-33(41-25-15-16-26-30(23-25)37(44)29-12-8-9-24-17-22-40-36(26)34(24)29)18-21-38-19-6-7-20-39-35-27-10-2-1-3-13-31(27)42-32-14-5-4-11-28(32)35/h4-5,8-9,11-12,14-17,22-23,38H,1-3,6-7,10,13,18-21H2,(H,39,42)(H,41,43)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	150	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