Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM10963'   

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 (Homo sapiens (Human))	BDBM10963 ((1R,3aS,8aS)-1-hydroxy-1,3a,8-trimethyl-5-[(methyl...) Show SMILES [H][C@@]12N(C)c3ccc(OC(=O)NC)cc3[C@]1(C)CC[N@@+]2(C)O |r| Show InChI InChI=1S/C15H21N3O3/c1-15-7-8-18(4,20)13(15)17(3)12-6-5-10(9-11(12)15)21-14(19)16-2/h5-6,9,13,20H,7-8H2,1-4H3/p+1/t13-,15-,18+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	8.0	37
National Institutes of Health					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...				J Med Chem 45: 3684-91 (2002) Article DOI: 10.1021/jm010491d BindingDB Entry DOI: 10.7270/Q22J6933
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