Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50246558'   

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))	BDBM50246558 (CHEMBL4069847) Show SMILES CCCCN(CC(=O)NC(C)C)C(=O)CCCCCn1ccnc1\C=N\O Show InChI InChI=1S/C19H33N5O3/c1-4-5-11-24(15-18(25)22-16(2)3)19(26)9-7-6-8-12-23-13-10-20-17(23)14-21-27/h10,13-14,16,27H,4-9,11-12,15H2,1-3H3,(H,22,25)/b21-14+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
TNO Curated by ChEMBL					Assay Description Reactivation of organophosphate inhibited human erythrocyte AChE assessed as organophosphate IC50 using acetylthiocholine iodide as substrate preincu...				J Med Chem 60: 9376-9392 (2017) Article DOI: 10.1021/acs.jmedchem.7b01083 BindingDB Entry DOI: 10.7270/Q27W6FMG
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50246558 (CHEMBL4069847) Show SMILES CCCCN(CC(=O)NC(C)C)C(=O)CCCCCn1ccnc1\C=N\O Show InChI InChI=1S/C19H33N5O3/c1-4-5-11-24(15-18(25)22-16(2)3)19(26)9-7-6-8-12-23-13-10-20-17(23)14-21-27/h10,13-14,16,27H,4-9,11-12,15H2,1-3H3,(H,22,25)/b21-14+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.14E+6	n/a	n/a	n/a	n/a	n/a
TNO Curated by ChEMBL					Assay Description Reactivation of cyclosarin inhibited human erythrocyte AChE using acetylthiocholine iodide as substrate preincubated up to 60 mins followed by substr...				J Med Chem 60: 9376-9392 (2017) Article DOI: 10.1021/acs.jmedchem.7b01083 BindingDB Entry DOI: 10.7270/Q27W6FMG
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50246558 (CHEMBL4069847) Show SMILES CCCCN(CC(=O)NC(C)C)C(=O)CCCCCn1ccnc1\C=N\O Show InChI InChI=1S/C19H33N5O3/c1-4-5-11-24(15-18(25)22-16(2)3)19(26)9-7-6-8-12-23-13-10-20-17(23)14-21-27/h10,13-14,16,27H,4-9,11-12,15H2,1-3H3,(H,22,25)/b21-14+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.96E+6	n/a	n/a	n/a	n/a	n/a
TNO Curated by ChEMBL					Assay Description Reactivation of sarin inhibited human erythrocyte AChE using acetylthiocholine iodide as substrate preincubated up to 60 mins followed by substrate a...				J Med Chem 60: 9376-9392 (2017) Article DOI: 10.1021/acs.jmedchem.7b01083 BindingDB Entry DOI: 10.7270/Q27W6FMG
					More data for this Ligand-Target Pair