Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50093582'   

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))	BDBM50093582 (CHEMBL3585782) Show SMILES COc1ccc(cc1OC)C(C)NS(N)(=O)=O Show InChI InChI=1S/C10H16N2O4S/c1-7(12-17(11,13)14)8-4-5-9(15-2)10(6-8)16-3/h4-7,12H,1-3H3,(H2,11,13,14)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.00500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AgriIbrahim£e£en University Curated by ChEMBL					Assay Description Inhibition of esterase activity of carbonic anhydrase 1 in human erythrocytes using PNF as substrate by spectrophotometer analysis				Bioorg Med Chem 23: 3592-602 (2015) Article DOI: 10.1016/j.bmc.2015.04.019 BindingDB Entry DOI: 10.7270/Q2J104XP
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50093582 (CHEMBL3585782) Show SMILES COc1ccc(cc1OC)C(C)NS(N)(=O)=O Show InChI InChI=1S/C10H16N2O4S/c1-7(12-17(11,13)14)8-4-5-9(15-2)10(6-8)16-3/h4-7,12H,1-3H3,(H2,11,13,14)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0270	n/a	n/a	n/a	n/a	n/a	n/a
AgriIbrahim£e£en University Curated by ChEMBL					Assay Description Inhibition of esterase activity of carbonic anhydrase 1 in human erythrocytes using PNF as substrate by spectrophotometer analysis				Bioorg Med Chem 23: 3592-602 (2015) Article DOI: 10.1016/j.bmc.2015.04.019 BindingDB Entry DOI: 10.7270/Q2J104XP
					More data for this Ligand-Target Pair