BDBM31898 Pyrano[3,2-c]quinoline-6-chlorotacrine hybrid, 23.2HCl

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

InChI Key: InChIKey=ISVMYZOITFYUKN-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 = 31898   

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))	BDBM31898 (Pyrano[3,2-c]quinoline-6-chlorotacrine hybrid, 23....) Show SMILES Clc1ccc2c(NCCCCNC(=O)CCc3ccc4nc(-c5ccccc5)c5CCCOc5c4c3)c3CCCCc3nc2c1 Show InChI InChI=1S/C38H39ClN4O2/c39-27-16-17-29-34(24-27)42-32-13-5-4-11-28(32)37(29)41-21-7-6-20-40-35(44)19-15-25-14-18-33-31(23-25)38-30(12-8-22-45-38)36(43-33)26-9-2-1-3-10-26/h1-3,9-10,14,16-18,23-24H,4-8,11-13,15,19-22H2,(H,40,44)(H,41,42)	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	16.6	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))	BDBM31898 (Pyrano[3,2-c]quinoline-6-chlorotacrine hybrid, 23....) Show SMILES Clc1ccc2c(NCCCCNC(=O)CCc3ccc4nc(-c5ccccc5)c5CCCOc5c4c3)c3CCCCc3nc2c1 Show InChI InChI=1S/C38H39ClN4O2/c39-27-16-17-29-34(24-27)42-32-13-5-4-11-28(32)37(29)41-21-7-6-20-40-35(44)19-15-25-14-18-33-31(23-25)38-30(12-8-22-45-38)36(43-33)26-9-2-1-3-10-26/h1-3,9-10,14,16-18,23-24H,4-8,11-13,15,19-22H2,(H,40,44)(H,41,42)	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	586	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))	BDBM31898 (Pyrano[3,2-c]quinoline-6-chlorotacrine hybrid, 23....) Show SMILES Clc1ccc2c(NCCCCNC(=O)CCc3ccc4nc(-c5ccccc5)c5CCCOc5c4c3)c3CCCCc3nc2c1 Show InChI InChI=1S/C38H39ClN4O2/c39-27-16-17-29-34(24-27)42-32-13-5-4-11-28(32)37(29)41-21-7-6-20-40-35(44)19-15-25-14-18-33-31(23-25)38-30(12-8-22-45-38)36(43-33)26-9-2-1-3-10-26/h1-3,9-10,14,16-18,23-24H,4-8,11-13,15,19-22H2,(H,40,44)(H,41,42)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	48.1	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