BDBM31902 Pyrano[3,2-c]quinoline-6-chlorotacrine hybrid, 27.2HCl

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

InChI Key: InChIKey=XPNGWXVMPJPEMO-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 = 31902   

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))	BDBM31902 (Pyrano[3,2-c]quinoline-6-chlorotacrine hybrid, 27....) Show SMILES Clc1ccc2c(NCCCCCCCCNC(=O)CCc3ccc4nc(-c5ccccc5)c5CCCOc5c4c3)c3CCCCc3nc2c1 Show InChI InChI=1S/C42H47ClN4O2/c43-31-20-21-33-38(28-31)46-36-17-9-8-15-32(36)41(33)45-25-11-4-2-1-3-10-24-44-39(48)23-19-29-18-22-37-35(27-29)42-34(16-12-26-49-42)40(47-37)30-13-6-5-7-14-30/h5-7,13-14,18,20-22,27-28H,1-4,8-12,15-17,19,23-26H2,(H,44,48)(H,45,46)	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	14	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))	BDBM31902 (Pyrano[3,2-c]quinoline-6-chlorotacrine hybrid, 27....) Show SMILES Clc1ccc2c(NCCCCCCCCNC(=O)CCc3ccc4nc(-c5ccccc5)c5CCCOc5c4c3)c3CCCCc3nc2c1 Show InChI InChI=1S/C42H47ClN4O2/c43-31-20-21-33-38(28-31)46-36-17-9-8-15-32(36)41(33)45-25-11-4-2-1-3-10-24-44-39(48)23-19-29-18-22-37-35(27-29)42-34(16-12-26-49-42)40(47-37)30-13-6-5-7-14-30/h5-7,13-14,18,20-22,27-28H,1-4,8-12,15-17,19,23-26H2,(H,44,48)(H,45,46)	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	1.08E+3	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))	BDBM31902 (Pyrano[3,2-c]quinoline-6-chlorotacrine hybrid, 27....) Show SMILES Clc1ccc2c(NCCCCCCCCNC(=O)CCc3ccc4nc(-c5ccccc5)c5CCCOc5c4c3)c3CCCCc3nc2c1 Show InChI InChI=1S/C42H47ClN4O2/c43-31-20-21-33-38(28-31)46-36-17-9-8-15-32(36)41(33)45-25-11-4-2-1-3-10-24-44-39(48)23-19-29-18-22-37-35(27-29)42-34(16-12-26-49-42)40(47-37)30-13-6-5-7-14-30/h5-7,13-14,18,20-22,27-28H,1-4,8-12,15-17,19,23-26H2,(H,44,48)(H,45,46)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	34.1	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