BDBM50211248 CHEMBL428575::trimethyl-[(7-oxo-7H-1-aza-benzo[de]anthracen-9-ylcarbamoyl)-methyl]-ammonium

SMILES: C[N+](C)(C)CC(=O)Nc1ccc-2c(c1)C(=O)c1cccc3ccnc-2c13

InChI Key: InChIKey=ANYPXMZOOFVUQB-UHFFFAOYSA-O

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 = 50211248   

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 (BChE) (Equus caballus (Horse))	BDBM50211248 (CHEMBL428575 | trimethyl-[(7-oxo-7H-1-aza-benzo[de...) Show SMILES C[N+](C)(C)CC(=O)Nc1ccc-2c(c1)C(=O)c1cccc3ccnc-2c13 Show InChI InChI=1S/C21H19N3O2/c1-24(2,3)12-18(25)23-14-7-8-15-17(11-14)21(26)16-6-4-5-13-9-10-22-20(15)19(13)16/h4-11H,12H2,1-3H3/p+1	PDB MMDB B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.31E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-Sen University Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE				Bioorg Med Chem Lett 17: 3765-8 (2007) Article DOI: 10.1016/j.bmcl.2007.04.015 BindingDB Entry DOI: 10.7270/Q28C9X2C
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50211248 (CHEMBL428575 | trimethyl-[(7-oxo-7H-1-aza-benzo[de...) Show SMILES C[N+](C)(C)CC(=O)Nc1ccc-2c(c1)C(=O)c1cccc3ccnc-2c13 Show InChI InChI=1S/C21H19N3O2/c1-24(2,3)12-18(25)23-14-7-8-15-17(11-14)21(26)16-6-4-5-13-9-10-22-20(15)19(13)16/h4-11H,12H2,1-3H3/p+1	GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14.9	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-Sen University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE				Bioorg Med Chem Lett 17: 3765-8 (2007) Article DOI: 10.1016/j.bmcl.2007.04.015 BindingDB Entry DOI: 10.7270/Q28C9X2C
					More data for this Ligand-Target Pair