BDBM31903 tricyclic ester, 11.HCl

SMILES: CCOC(=O)c1ccc2nc(-c3ccc(Cl)cc3)c3CCCOc3c2c1

InChI Key: InChIKey=ARWPWQWERJBZLQ-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 31903   

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 (Homo sapiens (Human))	BDBM31903 (tricyclic ester, 11.HCl) Show SMILES CCOC(=O)c1ccc2nc(-c3ccc(Cl)cc3)c3CCCOc3c2c1 Show InChI InChI=1S/C21H18ClNO3/c1-2-25-21(24)14-7-10-18-17(12-14)20-16(4-3-11-26-20)19(23-18)13-5-8-15(22)9-6-13/h5-10,12H,2-4,11H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	8.0	25
Universitat de Barcelona					Assay Description AChE inhibitory activity was evaluated spectrophotometrically by the method of Ellman, using AChE from bovine or human erythrocytes and acetylthiocho...				J Med Chem 52: 5365-79 (2009) Article DOI: 10.1021/jm900859q BindingDB Entry DOI: 10.7270/Q2707ZSB
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM31903 (tricyclic ester, 11.HCl) Show SMILES CCOC(=O)c1ccc2nc(-c3ccc(Cl)cc3)c3CCCOc3c2c1 Show InChI InChI=1S/C21H18ClNO3/c1-2-25-21(24)14-7-10-18-17(12-14)20-16(4-3-11-26-20)19(23-18)13-5-8-15(22)9-6-13/h5-10,12H,2-4,11H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universitat de Barcelona					Assay Description BChE inhibitory activity was evaluated spectrophotometrically by the method of Ellman, using BChE from human serum and butyrylthiocholine as substrat...				J Med Chem 52: 5365-79 (2009) Article DOI: 10.1021/jm900859q BindingDB Entry DOI: 10.7270/Q2707ZSB
					More data for this Ligand-Target Pair
Acetylcholinesterase (Bos taurus (bovine))	BDBM31903 (tricyclic ester, 11.HCl) Show SMILES CCOC(=O)c1ccc2nc(-c3ccc(Cl)cc3)c3CCCOc3c2c1 Show InChI InChI=1S/C21H18ClNO3/c1-2-25-21(24)14-7-10-18-17(12-14)20-16(4-3-11-26-20)19(23-18)13-5-8-15(22)9-6-13/h5-10,12H,2-4,11H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	8.0	25
Universitat de Barcelona					Assay Description AChE inhibitory activity was evaluated spectrophotometrically by the method of Ellman, using AChE from bovine or human erythrocytes and acetylthiocho...				J Med Chem 52: 5365-79 (2009) Article DOI: 10.1021/jm900859q BindingDB Entry DOI: 10.7270/Q2707ZSB
					More data for this Ligand-Target Pair