Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM10944'   

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))	BDBM10944 ((1R,10R)-16-methyl-14-{2-[methyl({8-[methyl({2-[(1...) Show SMILES CN(CCCCCCCCN(C)CC(=O)N1CCC[C@@H]2C3Cc4[nH]c(=O)ccc4[C@]12CC(C)=C3)CC(=O)N1CCC[C@@H]2C3Cc4[nH]c(=O)ccc4[C@]12CC(C)=C3 |r,c:35,61,TLB:40:41:43.44.50:55.53.52,18:19:21.22.28:33.31.30,49:50:41:55.53.52,27:28:19:33.31.30,THB:32:31:19:21.22.28,45:44:41:55.53.52,54:53:41:43.44.50,23:22:19:33.31.30| Show InChI InChI=1S/C46H64N6O4/c1-31-23-33-25-39-37(15-17-41(53)47-39)45(27-31)35(33)13-11-21-51(45)43(55)29-49(3)19-9-7-5-6-8-10-20-50(4)30-44(56)52-22-12-14-36-34-24-32(2)28-46(36,52)38-16-18-42(54)48-40(38)26-34/h15-18,23-24,33-36H,5-14,19-22,25-30H2,1-4H3,(H,47,53)(H,48,54)/t33?,34?,35-,36-,45-,46-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50.8	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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