BDBM50273379 9-[N(epsilon)-(3'-(Nitrooxy)propyl)-epsilon-aminopentylamino]-1,2,3,4-tetrahydroacridine::CHEMBL458486

SMILES: [O-][N+](=O)OCCCNCCCCCNc1c2CCCCc2nc2ccccc12

InChI Key: InChIKey=UTPWGFTWCCWZGK-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 = 50273379   

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))	BDBM50273379 (9-[N(epsilon)-(3'-(Nitrooxy)propyl)-epsilon-aminop...) Show SMILES [O-][N+](=O)OCCCNCCCCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C21H30N4O3/c26-25(27)28-16-8-14-22-13-6-1-7-15-23-21-17-9-2-4-11-19(17)24-20-12-5-3-10-18(20)21/h2,4,9,11,22H,1,3,5-8,10,12-16H2,(H,23,24)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14.3	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich Schiller University Jena Curated by ChEMBL					Assay Description Inhibition of BuChE from equine serum				J Med Chem 51: 7666-9 (2008) Article DOI: 10.1021/jm801131a BindingDB Entry DOI: 10.7270/Q2TT4QSV
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50273379 (9-[N(epsilon)-(3'-(Nitrooxy)propyl)-epsilon-aminop...) Show SMILES [O-][N+](=O)OCCCNCCCCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C21H30N4O3/c26-25(27)28-16-8-14-22-13-6-1-7-15-23-21-17-9-2-4-11-19(17)24-20-12-5-3-10-18(20)21/h2,4,9,11,22H,1,3,5-8,10,12-16H2,(H,23,24)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15.4	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich Schiller University Jena Curated by ChEMBL					Assay Description Inhibition of Electric eel AChE				J Med Chem 51: 7666-9 (2008) Article DOI: 10.1021/jm801131a BindingDB Entry DOI: 10.7270/Q2TT4QSV
					More data for this Ligand-Target Pair