Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM10948'   

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 (Rattus norvegicus (rat))	BDBM10948 ((1R,10R)-16-methyl-14-{3-[methyl({12-[methyl({3-[(...) Show SMILES CN(CCCCCCCCCCCCN(C)CCC(=O)N1CCC[C@@H]2C3Cc4[nH]c(=O)ccc4[C@]12CC(C)=C3)CCC(=O)N1CCC[C@@H]2C3Cc4[nH]c(=O)ccc4[C@]12CC(C)=C3 |r,c:40,67,TLB:46:47:49.50.56:61.59.58,55:56:47:61.59.58,23:24:26.27.33:38.36.35,32:33:24:38.36.35,THB:28:27:24:38.36.35,37:36:24:26.27.33,51:50:47:61.59.58,60:59:47:49.50.56| Show InChI InChI=1S/C52H76N6O4/c1-37-31-39-33-45-43(19-21-47(59)53-45)51(35-37)41(39)17-15-27-57(51)49(61)23-29-55(3)25-13-11-9-7-5-6-8-10-12-14-26-56(4)30-24-50(62)58-28-16-18-42-40-32-38(2)36-52(42,58)44-20-22-48(60)54-46(44)34-40/h19-22,31-32,39-42H,5-18,23-30,33-36H2,1-4H3,(H,53,59)(H,54,60)/t39?,40?,41-,42-,51-,52-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25.2	n/a	n/a	n/a	n/a	7.4	37
Shanghai Institute of Materia Medica					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. Enzyme activity was determined by measuring the absorbance at...				J Med Chem 48: 655-7 (2005) Article DOI: 10.1021/jm0496178 BindingDB Entry DOI: 10.7270/Q2FQ9TT0
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