Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Cholinesterase' and Ligand = 'BDBM31895'   

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
Cholinesterase (Homo sapiens (Human))	BDBM31895 (Pyrano[3,2-c]quinoline-6-chlorotacrine hybrid, 20....) Show SMILES Clc1ccc(cc1)-c1nc2ccc(cc2c2OCCCc12)C(=O)NCCCCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12 Show InChI InChI=1S/C40H42Cl2N4O2/c41-28-16-13-26(14-17-28)37-32-11-9-23-48-39(32)33-24-27(15-20-35(33)46-37)40(47)44-22-8-4-2-1-3-7-21-43-38-30-10-5-6-12-34(30)45-36-25-29(42)18-19-31(36)38/h13-20,24-25H,1-12,21-23H2,(H,43,45)(H,44,47)	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	223	n/a	n/a	n/a	n/a	n/a	n/a
Universitat de Barcelona Curated by ChEMBL					Assay Description Inhibition of human recombinant BChE using butyrylthiocholine iodide as substrate by spectrophotometric analysis				Eur J Med Chem 84: 107-17 (2014) Article DOI: 10.1016/j.ejmech.2014.07.021 BindingDB Entry DOI: 10.7270/Q2571DNF
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM31895 (Pyrano[3,2-c]quinoline-6-chlorotacrine hybrid, 20....) Show SMILES Clc1ccc(cc1)-c1nc2ccc(cc2c2OCCCc12)C(=O)NCCCCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12 Show InChI InChI=1S/C40H42Cl2N4O2/c41-28-16-13-26(14-17-28)37-32-11-9-23-48-39(32)33-24-27(15-20-35(33)46-37)40(47)44-22-8-4-2-1-3-7-21-43-38-30-10-5-6-12-34(30)45-36-25-29(42)18-19-31(36)38/h13-20,24-25H,1-12,21-23H2,(H,43,45)(H,44,47)	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	331	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