Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM10524'   

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))	BDBM10524 (N-{6-[(6,8-dichloro-1,2,3,4-tetrahydroacridin-9-yl...) Show SMILES Clc1cc(Cl)c2c(SCCCCCCNc3c4CCCCc4nc4ccccc34)c3CCCCc3nc2c1 Show InChI InChI=1S/C32H35Cl2N3S/c33-21-19-25(34)30-29(20-21)37-28-16-8-5-13-24(28)32(30)38-18-10-2-1-9-17-35-31-22-11-3-6-14-26(22)36-27-15-7-4-12-23(27)31/h3,6,11,14,19-20H,1-2,4-5,7-10,12-13,15-18H2,(H,35,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	120	-39.5	n/a	n/a	n/a	n/a	n/a	8.0	25
Universita degli Studi di Siena					Assay Description Inhibition of enzyme activity was measured over a substrate concentration range of 0.01-30 mM and at least six inhibitor concentrations to determine ...				Bioorg Med Chem Lett 11: 1779-82 (2001) Article DOI: 10.1016/s0960-894x(01)00294-3 BindingDB Entry DOI: 10.7270/Q2DZ06JN
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