null

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

InChI Key: InChIKey=KLGKWPHPNYLNFS-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 31900   

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))	BDBM31900 (Pyrano[3,2-c]quinoline-6-chlorotacrine hybrid, 25....) Show SMILES Clc1ccc2c(NCCCCCCNC(=O)CCc3ccc4nc(-c5ccccc5)c5CCCOc5c4c3)c3CCCCc3nc2c1 Show InChI InChI=1S/C40H43ClN4O2/c41-29-18-19-31-36(26-29)44-34-15-7-6-13-30(34)39(31)43-23-9-2-1-8-22-42-37(46)21-17-27-16-20-35-33(25-27)40-32(14-10-24-47-40)38(45-35)28-11-4-3-5-12-28/h3-5,11-12,16,18-20,25-26H,1-2,6-10,13-15,17,21-24H2,(H,42,46)(H,43,44)	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	11.1	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
Cholinesterase (Homo sapiens (Human))	BDBM31900 (Pyrano[3,2-c]quinoline-6-chlorotacrine hybrid, 25....) Show SMILES Clc1ccc2c(NCCCCCCNC(=O)CCc3ccc4nc(-c5ccccc5)c5CCCOc5c4c3)c3CCCCc3nc2c1 Show InChI InChI=1S/C40H43ClN4O2/c41-29-18-19-31-36(26-29)44-34-15-7-6-13-30(34)39(31)43-23-9-2-1-8-22-42-37(46)21-17-27-16-20-35-33(25-27)40-32(14-10-24-47-40)38(45-35)28-11-4-3-5-12-28/h3-5,11-12,16,18-20,25-26H,1-2,6-10,13-15,17,21-24H2,(H,42,46)(H,43,44)	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	218	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))	BDBM31900 (Pyrano[3,2-c]quinoline-6-chlorotacrine hybrid, 25....) Show SMILES Clc1ccc2c(NCCCCCCNC(=O)CCc3ccc4nc(-c5ccccc5)c5CCCOc5c4c3)c3CCCCc3nc2c1 Show InChI InChI=1S/C40H43ClN4O2/c41-29-18-19-31-36(26-29)44-34-15-7-6-13-30(34)39(31)43-23-9-2-1-8-22-42-37(46)21-17-27-16-20-35-33(25-27)40-32(14-10-24-47-40)38(45-35)28-11-4-3-5-12-28/h3-5,11-12,16,18-20,25-26H,1-2,6-10,13-15,17,21-24H2,(H,42,46)(H,43,44)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30.8	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