Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM31901'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Acetylcholinesterase (Homo sapiens (Human))	BDBM31901 (Pyrano[3,2-c]quinoline-6-chlorotacrine hybrid, 26....) Show SMILES Clc1ccc2c(NCCCCCCCNC(=O)CCc3ccc4nc(-c5ccccc5)c5CCCOc5c4c3)c3CCCCc3nc2c1 Show InChI InChI=1S/C41H45ClN4O2/c42-30-19-20-32-37(27-30)45-35-16-8-7-14-31(35)40(32)44-24-10-3-1-2-9-23-43-38(47)22-18-28-17-21-36-34(26-28)41-33(15-11-25-48-41)39(46-36)29-12-5-4-6-13-29/h4-6,12-13,17,19-21,26-27H,1-3,7-11,14-16,18,22-25H2,(H,43,47)(H,44,45)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars		n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM31901 (Pyrano[3,2-c]quinoline-6-chlorotacrine hybrid, 26....) Show SMILES Clc1ccc2c(NCCCCCCCNC(=O)CCc3ccc4nc(-c5ccccc5)c5CCCOc5c4c3)c3CCCCc3nc2c1 Show InChI InChI=1S/C41H45ClN4O2/c42-30-19-20-32-37(27-30)45-35-16-8-7-14-31(35)40(32)44-24-10-3-1-2-9-23-43-38(47)22-18-28-17-21-36-34(26-28)41-33(15-11-25-48-41)39(46-36)29-12-5-4-6-13-29/h4-6,12-13,17,19-21,26-27H,1-3,7-11,14-16,18,22-25H2,(H,43,47)(H,44,45)	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	14.4	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
Acetylcholinesterase (Bos taurus (bovine))	BDBM31901 (Pyrano[3,2-c]quinoline-6-chlorotacrine hybrid, 26....) Show SMILES Clc1ccc2c(NCCCCCCCNC(=O)CCc3ccc4nc(-c5ccccc5)c5CCCOc5c4c3)c3CCCCc3nc2c1 Show InChI InChI=1S/C41H45ClN4O2/c42-30-19-20-32-37(27-30)45-35-16-8-7-14-31(35)40(32)44-24-10-3-1-2-9-23-43-38(47)22-18-28-17-21-36-34(26-28)41-33(15-11-25-48-41)39(46-36)29-12-5-4-6-13-29/h4-6,12-13,17,19-21,26-27H,1-3,7-11,14-16,18,22-25H2,(H,43,47)(H,44,45)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	29.9	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