BDBM31899 Pyrano[3,2-c]quinoline-6-chlorotacrine hybrid, 24.2HCl

SMILES: Clc1ccc2c(NCCCCCNC(=O)CCc3ccc4nc(-c5ccccc5)c5CCCOc5c4c3)c3CCCCc3nc2c1

InChI Key: InChIKey=ORGUKHCERGONJS-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 = 31899   

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))	BDBM31899 (Pyrano[3,2-c]quinoline-6-chlorotacrine hybrid, 24....) Show SMILES Clc1ccc2c(NCCCCCNC(=O)CCc3ccc4nc(-c5ccccc5)c5CCCOc5c4c3)c3CCCCc3nc2c1 Show InChI InChI=1S/C39H41ClN4O2/c40-28-17-18-30-35(25-28)43-33-14-6-5-12-29(33)38(30)42-22-8-2-7-21-41-36(45)20-16-26-15-19-34-32(24-26)39-31(13-9-23-46-39)37(44-34)27-10-3-1-4-11-27/h1,3-4,10-11,15,17-19,24-25H,2,5-9,12-14,16,20-23H2,(H,41,45)(H,42,43)	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	9.64	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
Cholinesterases (Homo sapiens (Human))	BDBM31899 (Pyrano[3,2-c]quinoline-6-chlorotacrine hybrid, 24....) Show SMILES Clc1ccc2c(NCCCCCNC(=O)CCc3ccc4nc(-c5ccccc5)c5CCCOc5c4c3)c3CCCCc3nc2c1 Show InChI InChI=1S/C39H41ClN4O2/c40-28-17-18-30-35(25-28)43-33-14-6-5-12-29(33)38(30)42-22-8-2-7-21-41-36(45)20-16-26-15-19-34-32(24-26)39-31(13-9-23-46-39)37(44-34)27-10-3-1-4-11-27/h1,3-4,10-11,15,17-19,24-25H,2,5-9,12-14,16,20-23H2,(H,41,45)(H,42,43)	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	290	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))	BDBM31899 (Pyrano[3,2-c]quinoline-6-chlorotacrine hybrid, 24....) Show SMILES Clc1ccc2c(NCCCCCNC(=O)CCc3ccc4nc(-c5ccccc5)c5CCCOc5c4c3)c3CCCCc3nc2c1 Show InChI InChI=1S/C39H41ClN4O2/c40-28-17-18-30-35(25-28)43-33-14-6-5-12-29(33)38(30)42-22-8-2-7-21-41-36(45)20-16-26-15-19-34-32(24-26)39-31(13-9-23-46-39)37(44-34)27-10-3-1-4-11-27/h1,3-4,10-11,15,17-19,24-25H,2,5-9,12-14,16,20-23H2,(H,41,45)(H,42,43)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	23.9	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