BDBM50211242 4-dimethylamino-N-(7-oxo-7H-1-aza-benzo[de]anthracen-9-yl)-butyramide::9-[4-(Dimethylamino)butyramido]-1-azabenzanthrone::CHEMBL245472

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

InChI Key: InChIKey=IQHJJVHUYGOXCV-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 = 50211242   

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))	BDBM50211242 (4-dimethylamino-N-(7-oxo-7H-1-aza-benzo[de]anthrac...) Show SMILES CN(C)CCCC(=O)Nc1ccc-2c(c1)C(=O)c1cccc3ccnc-2c13 Show InChI InChI=1S/C22H21N3O2/c1-25(2)12-4-7-19(26)24-15-8-9-16-18(13-15)22(27)17-6-3-5-14-10-11-23-21(16)20(14)17/h3,5-6,8-11,13H,4,7,12H2,1-2H3,(H,24,26)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.40E+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))	BDBM50211242 (4-dimethylamino-N-(7-oxo-7H-1-aza-benzo[de]anthrac...) Show SMILES CN(C)CCCC(=O)Nc1ccc-2c(c1)C(=O)c1cccc3ccnc-2c13 Show InChI InChI=1S/C22H21N3O2/c1-25(2)12-4-7-19(26)24-15-8-9-16-18(13-15)22(27)17-6-3-5-14-10-11-23-21(16)20(14)17/h3,5-6,8-11,13H,4,7,12H2,1-2H3,(H,24,26)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30.5	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