Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM11687'   

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 (Tetronarce californica (Pacific electric ray) (Tor...)	BDBM11687 ((3aS,8aS)-1,3a,8-trimethyl-1-oxido-5-({[2-(propan-...) Show SMILES [H][C@@]12N(C)c3ccc(OC(=O)Nc4ccccc4C(C)C)cc3[C@]1(C)CC[N+]2(C)[O-] |r| Show InChI InChI=1S/C23H29N3O3/c1-15(2)17-8-6-7-9-19(17)24-22(27)29-16-10-11-20-18(14-16)23(3)12-13-26(5,28)21(23)25(20)4/h6-11,14-15,21H,12-13H2,1-5H3,(H,24,27)/t21-,23-,26?/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.38E+3	n/a	n/a	n/a	n/a	8.0	22
Istituto di Cristallografia					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 49: 5051-8 (2006) Article DOI: 10.1021/jm060293s BindingDB Entry DOI: 10.7270/Q2DN439P
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