Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM175303'   

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))	BDBM175303 (N,N'-(3,3'-dimethylbiphenyl-4,4'-diyl)...) Show SMILES CCCCCCCN(c1ccc(cc1C)-c1ccc(N(CCCCCCC)S(=O)(=O)c2ccccc2)c(C)c1)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C40H52N2O4S2/c1-5-7-9-11-19-29-41(47(43,44)37-21-15-13-16-22-37)39-27-25-35(31-33(39)3)36-26-28-40(34(4)32-36)42(30-20-12-10-8-6-2)48(45,46)38-23-17-14-18-24-38/h13-18,21-28,31-32H,5-12,19-20,29-30H2,1-4H3	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	4.32E+4	n/a	n/a	n/a	n/a	7.7	n/a
Government College University					Assay Description The AChE inhibition activity was determined according to the Ellman's method with slight modifications. Total volume of the reaction mixture was ...				Bioorg Chem 64: 13-20 (2016) Article DOI: 10.1016/j.bioorg.2015.11.002 BindingDB Entry DOI: 10.7270/Q20V8BJK
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