BDBM50211251 3-diethylamino-N-(7-oxo-7H-1-aza-benzo[de]anthracen-9-yl)-propionamide::9-[3-(Diethylamino)propionamido]-1-azabenzanthrone::CHEMBL429291

SMILES: CCN(CC)CCC(=O)Nc1ccc-2c(c1)C(=O)c1cccc3ccnc-2c13

InChI Key: InChIKey=PHJCUOIBBDUYDG-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 = 50211251   

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))	BDBM50211251 (3-diethylamino-N-(7-oxo-7H-1-aza-benzo[de]anthrace...) Show SMILES CCN(CC)CCC(=O)Nc1ccc-2c(c1)C(=O)c1cccc3ccnc-2c13 Show InChI InChI=1S/C23H23N3O2/c1-3-26(4-2)13-11-20(27)25-16-8-9-17-19(14-16)23(28)18-7-5-6-15-10-12-24-22(17)21(15)18/h5-10,12,14H,3-4,11,13H2,1-2H3,(H,25,27)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.06E+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))	BDBM50211251 (3-diethylamino-N-(7-oxo-7H-1-aza-benzo[de]anthrace...) Show SMILES CCN(CC)CCC(=O)Nc1ccc-2c(c1)C(=O)c1cccc3ccnc-2c13 Show InChI InChI=1S/C23H23N3O2/c1-3-26(4-2)13-11-20(27)25-16-8-9-17-19(14-16)23(28)18-7-5-6-15-10-12-24-22(17)21(15)18/h5-10,12,14H,3-4,11,13H2,1-2H3,(H,25,27)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11.6	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