Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM11690'   

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...)	BDBM11690 ((3aS,8aS)-5-{[(3-ethylphenyl)carbamoyl]oxy}-1,3a,8...) Show SMILES [H][C@@]12N(C)c3ccc(OC(=O)Nc4cccc(CC)c4)cc3[C@]1(C)CC[N+]2(C)[O-] |r| Show InChI InChI=1S/C22H27N3O3/c1-5-15-7-6-8-16(13-15)23-21(26)28-17-9-10-19-18(14-17)22(2)11-12-25(4,27)20(22)24(19)3/h6-10,13-14,20H,5,11-12H2,1-4H3,(H,23,26)/t20-,22-,25?/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.80E+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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