Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM31896'   

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 (Bos taurus (bovine))	BDBM31896 (Pyrano[3,2-c]quinoline-6-chlorotacrine hybrid, 21....) Show SMILES Clc1ccc(cc1)-c1nc2ccc(cc2c2OCCCc12)C(=O)NCCCCCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12 Show InChI InChI=1S/C41H44Cl2N4O2/c42-29-17-14-27(15-18-29)38-33-12-10-24-49-40(33)34-25-28(16-21-36(34)47-38)41(48)45-23-9-5-3-1-2-4-8-22-44-39-31-11-6-7-13-35(31)46-37-26-30(43)19-20-32(37)39/h14-21,25-26H,1-13,22-24H2,(H,44,46)(H,45,48)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	24	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 (Homo sapiens (Human))	BDBM31896 (Pyrano[3,2-c]quinoline-6-chlorotacrine hybrid, 21....) Show SMILES Clc1ccc(cc1)-c1nc2ccc(cc2c2OCCCc12)C(=O)NCCCCCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12 Show InChI InChI=1S/C41H44Cl2N4O2/c42-29-17-14-27(15-18-29)38-33-12-10-24-49-40(33)34-25-28(16-21-36(34)47-38)41(48)45-23-9-5-3-1-2-4-8-22-44-39-31-11-6-7-13-35(31)46-37-26-30(43)19-20-32(37)39/h14-21,25-26H,1-13,22-24H2,(H,44,46)(H,45,48)	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	24.9	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