Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM10974'   

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))	BDBM10974 ((3aS,8aR)-1,3a,8-trimethyl-1,2,3,3a,8,8a-hexahydro...) Show SMILES [H][C@]12N(C)CC[C@@]1(C)c1cc(OC(=O)Nc3cccc(C)c3)ccc1N2C |r| Show InChI InChI=1S/C21H25N3O2/c1-14-6-5-7-15(12-14)22-20(25)26-16-8-9-18-17(13-16)21(2)10-11-23(3)19(21)24(18)4/h5-9,12-13,19H,10-11H2,1-4H3,(H,22,25)/t19-,21+/m1/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	28	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 44: 4062-71 (2001) Article DOI: 10.1021/jm010080x BindingDB Entry DOI: 10.7270/Q2XS5SNV
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