BDBM31897 Pyrano[3,2-c]quinoline-6-chlorotacrine hybrid, 22.2HCl

SMILES: Clc1ccc(cc1)-c1nc2ccc(cc2c2OCCCc12)C(=O)NCCCCCCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12

InChI Key: InChIKey=GLBUKRYFJCLYRW-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 = 31897   

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))	BDBM31897 (Pyrano[3,2-c]quinoline-6-chlorotacrine hybrid, 22....) Show SMILES Clc1ccc(cc1)-c1nc2ccc(cc2c2OCCCc12)C(=O)NCCCCCCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12 Show InChI InChI=1S/C42H46Cl2N4O2/c43-30-18-15-28(16-19-30)39-34-13-11-25-50-41(34)35-26-29(17-22-37(35)48-39)42(49)46-24-10-6-4-2-1-3-5-9-23-45-40-32-12-7-8-14-36(32)47-38-27-31(44)20-21-33(38)40/h15-22,26-27H,1-14,23-25H2,(H,45,47)(H,46,49)	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	50	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))	BDBM31897 (Pyrano[3,2-c]quinoline-6-chlorotacrine hybrid, 22....) Show SMILES Clc1ccc(cc1)-c1nc2ccc(cc2c2OCCCc12)C(=O)NCCCCCCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12 Show InChI InChI=1S/C42H46Cl2N4O2/c43-30-18-15-28(16-19-30)39-34-13-11-25-50-41(34)35-26-29(17-22-37(35)48-39)42(49)46-24-10-6-4-2-1-3-5-9-23-45-40-32-12-7-8-14-36(32)47-38-27-31(44)20-21-33(38)40/h15-22,26-27H,1-14,23-25H2,(H,45,47)(H,46,49)	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	1.62E+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))	BDBM31897 (Pyrano[3,2-c]quinoline-6-chlorotacrine hybrid, 22....) Show SMILES Clc1ccc(cc1)-c1nc2ccc(cc2c2OCCCc12)C(=O)NCCCCCCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12 Show InChI InChI=1S/C42H46Cl2N4O2/c43-30-18-15-28(16-19-30)39-34-13-11-25-50-41(34)35-26-29(17-22-37(35)48-39)42(49)46-24-10-6-4-2-1-3-5-9-23-45-40-32-12-7-8-14-36(32)47-38-27-31(44)20-21-33(38)40/h15-22,26-27H,1-14,23-25H2,(H,45,47)(H,46,49)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	93.7	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