Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50171021'   

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 (Anopheles gambiae)	BDBM50171021 (4-[3-(2-Dimethylamino-ethyl)-thioureido]-benzenesu...) Show SMILES CN(C)CCNC(=S)Nc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C11H18N4O2S2/c1-15(2)8-7-13-11(18)14-9-3-5-10(6-4-9)19(12,16)17/h3-6H,7-8H2,1-2H3,(H2,12,16,17)(H2,13,14,18)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Ume£ University Curated by ChEMBL					Assay Description Inhibition of AChE1 in Anopheles gambiae body extract using acetylthiocholine iodide as substrate measured over 60 secs by Ellman's method				Eur J Med Chem 134: 415-427 (2017) Article DOI: 10.1016/j.ejmech.2017.03.050 BindingDB Entry DOI: 10.7270/Q23X893Z
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50171021 (4-[3-(2-Dimethylamino-ethyl)-thioureido]-benzenesu...) Show SMILES CN(C)CCNC(=S)Nc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C11H18N4O2S2/c1-15(2)8-7-13-11(18)14-9-3-5-10(6-4-9)19(12,16)17/h3-6H,7-8H2,1-2H3,(H2,12,16,17)(H2,13,14,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Ume£ University Curated by ChEMBL					Assay Description Inhibition of recombinant human AChE expressed in HEK293F cells using acetylthiocholine iodide as substrate measured over 60 secs by Ellman's method				Eur J Med Chem 134: 415-427 (2017) Article DOI: 10.1016/j.ejmech.2017.03.050 BindingDB Entry DOI: 10.7270/Q23X893Z
					More data for this Ligand-Target Pair