Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM31894'   

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))	BDBM31894 (Pyrano[3,2-c]quinoline-6-chlorotacrine hybrid, 19....) Show SMILES Clc1ccc(cc1)-c1nc2ccc(cc2c2OCCCc12)C(=O)NCCCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12 Show InChI InChI=1S/C39H40Cl2N4O2/c40-27-15-12-25(13-16-27)36-31-10-8-22-47-38(31)32-23-26(14-19-34(32)45-36)39(46)43-21-7-3-1-2-6-20-42-37-29-9-4-5-11-33(29)44-35-24-28(41)17-18-30(35)37/h12-19,23-24H,1-11,20-22H2,(H,42,44)(H,43,46)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10.3	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))	BDBM31894 (Pyrano[3,2-c]quinoline-6-chlorotacrine hybrid, 19....) Show SMILES Clc1ccc(cc1)-c1nc2ccc(cc2c2OCCCc12)C(=O)NCCCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12 Show InChI InChI=1S/C39H40Cl2N4O2/c40-27-15-12-25(13-16-27)36-31-10-8-22-47-38(31)32-23-26(14-19-34(32)45-36)39(46)43-21-7-3-1-2-6-20-42-37-29-9-4-5-11-33(29)44-35-24-28(41)17-18-30(35)37/h12-19,23-24H,1-11,20-22H2,(H,42,44)(H,43,46)	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	18	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))	BDBM31894 (Pyrano[3,2-c]quinoline-6-chlorotacrine hybrid, 19....) Show SMILES Clc1ccc(cc1)-c1nc2ccc(cc2c2OCCCc12)C(=O)NCCCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12 Show InChI InChI=1S/C39H40Cl2N4O2/c40-27-15-12-25(13-16-27)36-31-10-8-22-47-38(31)32-23-26(14-19-34(32)45-36)39(46)43-21-7-3-1-2-6-20-42-37-29-9-4-5-11-33(29)44-35-24-28(41)17-18-30(35)37/h12-19,23-24H,1-11,20-22H2,(H,42,44)(H,43,46)	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	18.3	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