Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM10943'   

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))	BDBM10943 ((1R,10R)-16-methyl-14-{2-[methyl({6-[methyl({2-[(1...) Show SMILES CN(CCCCCCN(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:33,59,TLB:38:39:41.42.48:53.51.50,25:26:17:31.29.28,47:48:39:53.51.50,16:17:19.20.26:31.29.28,THB:21:20:17:31.29.28,43:42:39:53.51.50,30:29:17:19.20.26,52:51:39:41.42.48| Show InChI InChI=1S/C44H60N6O4/c1-29-21-31-23-37-35(13-15-39(51)45-37)43(25-29)33(31)11-9-19-49(43)41(53)27-47(3)17-7-5-6-8-18-48(4)28-42(54)50-20-10-12-34-32-22-30(2)26-44(34,50)36-14-16-40(52)46-38(36)24-32/h13-16,21-22,31-34H,5-12,17-20,23-28H2,1-4H3,(H,45,51)(H,46,52)/t31?,32?,33-,34-,43-,44-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	76.2	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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