BDBM31893 Pyrano[3,2-c]quinoline-6-chlorotacrine hybrid, 18.2HCl

SMILES: Clc1ccc(cc1)-c1nc2ccc(cc2c2OCCCc12)C(=O)NCCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12

InChI Key: InChIKey=WKWQTNVUORLIAM-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 = 31893   

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))	BDBM31893 (Pyrano[3,2-c]quinoline-6-chlorotacrine hybrid, 18....) Show SMILES Clc1ccc(cc1)-c1nc2ccc(cc2c2OCCCc12)C(=O)NCCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12 Show InChI InChI=1S/C38H38Cl2N4O2/c39-26-14-11-24(12-15-26)35-30-9-7-21-46-37(30)31-22-25(13-18-33(31)44-35)38(45)42-20-6-2-1-5-19-41-36-28-8-3-4-10-32(28)43-34-23-27(40)16-17-29(34)36/h11-18,22-23H,1-10,19-21H2,(H,41,43)(H,42,45)	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	19.2	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))	BDBM31893 (Pyrano[3,2-c]quinoline-6-chlorotacrine hybrid, 18....) Show SMILES Clc1ccc(cc1)-c1nc2ccc(cc2c2OCCCc12)C(=O)NCCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12 Show InChI InChI=1S/C38H38Cl2N4O2/c39-26-14-11-24(12-15-26)35-30-9-7-21-46-37(30)31-22-25(13-18-33(31)44-35)38(45)42-20-6-2-1-5-19-41-36-28-8-3-4-10-32(28)43-34-23-27(40)16-17-29(34)36/h11-18,22-23H,1-10,19-21H2,(H,41,43)(H,42,45)	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	1.07E+3	n/a	n/a	n/a	n/a	8.0	25
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))	BDBM31893 (Pyrano[3,2-c]quinoline-6-chlorotacrine hybrid, 18....) Show SMILES Clc1ccc(cc1)-c1nc2ccc(cc2c2OCCCc12)C(=O)NCCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12 Show InChI InChI=1S/C38H38Cl2N4O2/c39-26-14-11-24(12-15-26)35-30-9-7-21-46-37(30)31-22-25(13-18-33(31)44-35)38(45)42-20-6-2-1-5-19-41-36-28-8-3-4-10-32(28)43-34-23-27(40)16-17-29(34)36/h11-18,22-23H,1-10,19-21H2,(H,41,43)(H,42,45)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20.4	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