Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50281126'   

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...)	BDBM50281126 (1-(3-tert-Butyl-phenyl)-2,2,2-trifluoro-ethanone |...) Show SMILES CC(C)(C)c1cccc(c1)C(=O)C(F)(F)F Show InChI InChI=1S/C12H13F3O/c1-11(2,3)9-6-4-5-8(7-9)10(16)12(13,14)15/h4-7H,1-3H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article	0.00370	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested for the ability to inhibit Acetylcholinesterase (AChE) from Torpedo californica				Bioorg Med Chem Lett 3: 2619-2622 (1993) Article DOI: 10.1016/S0960-894X(01)80727-7 BindingDB Entry DOI: 10.7270/Q2VX0GF9
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50281126 (1-(3-tert-Butyl-phenyl)-2,2,2-trifluoro-ethanone |...) Show SMILES CC(C)(C)c1cccc(c1)C(=O)C(F)(F)F Show InChI InChI=1S/C12H13F3O/c1-11(2,3)9-6-4-5-8(7-9)10(16)12(13,14)15/h4-7H,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Tech Curated by ChEMBL					Assay Description Inhibition of recombinant human AChE after 60 mins by Ellman assay				Bioorg Med Chem Lett 25: 4405-11 (2015) Article DOI: 10.1016/j.bmcl.2015.09.019 BindingDB Entry DOI: 10.7270/Q2Z60QV8
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50281126 (1-(3-tert-Butyl-phenyl)-2,2,2-trifluoro-ethanone |...) Show SMILES CC(C)(C)c1cccc(c1)C(=O)C(F)(F)F Show InChI InChI=1S/C12H13F3O/c1-11(2,3)9-6-4-5-8(7-9)10(16)12(13,14)15/h4-7H,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Tech Curated by ChEMBL					Assay Description Inhibition of recombinant human AChE after 10 mins by Ellman assay				Bioorg Med Chem Lett 25: 4405-11 (2015) Article DOI: 10.1016/j.bmcl.2015.09.019 BindingDB Entry DOI: 10.7270/Q2Z60QV8
					More data for this Ligand-Target Pair
Acetylcholinesterase (Anopheles gambiae)	BDBM50281126 (1-(3-tert-Butyl-phenyl)-2,2,2-trifluoro-ethanone |...) Show SMILES CC(C)(C)c1cccc(c1)C(=O)C(F)(F)F Show InChI InChI=1S/C12H13F3O/c1-11(2,3)9-6-4-5-8(7-9)10(16)12(13,14)15/h4-7H,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Tech Curated by ChEMBL					Assay Description Inhibition of recombinant Anopheles gambiae wild type AChE after 60 mins by Ellman assay				Bioorg Med Chem Lett 25: 4405-11 (2015) Article DOI: 10.1016/j.bmcl.2015.09.019 BindingDB Entry DOI: 10.7270/Q2Z60QV8
					More data for this Ligand-Target Pair
Acetylcholinesterase (Anopheles gambiae)	BDBM50281126 (1-(3-tert-Butyl-phenyl)-2,2,2-trifluoro-ethanone |...) Show SMILES CC(C)(C)c1cccc(c1)C(=O)C(F)(F)F Show InChI InChI=1S/C12H13F3O/c1-11(2,3)9-6-4-5-8(7-9)10(16)12(13,14)15/h4-7H,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	53	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Tech Curated by ChEMBL					Assay Description Inhibition of recombinant Anopheles gambiae wild type AChE after 10 mins by Ellman assay				Bioorg Med Chem Lett 25: 4405-11 (2015) Article DOI: 10.1016/j.bmcl.2015.09.019 BindingDB Entry DOI: 10.7270/Q2Z60QV8
					More data for this Ligand-Target Pair