Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50214744'   

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 (Electrophorus electricus (Electric eel))	BDBM50214744 ((2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic aci...) Show SMILES COc1cc(\C=C\C(O)=O)ccc1O Show InChI InChI=1S/C10H10O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)/b5-3+	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Nanyang Normal University Curated by ChEMBL					Assay Description Inhibition of Electrophorus electricus AChE pre-incubated for 15 mins before acetylthiocholine chloride substrate addition by Ellman assay				Bioorg Med Chem Lett 26: 2539-43 (2016) Article DOI: 10.1016/j.bmcl.2016.03.086 BindingDB Entry DOI: 10.7270/Q2QN68P7
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50214744 ((2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic aci...) Show SMILES COc1cc(\C=C\C(O)=O)ccc1O Show InChI InChI=1S/C10H10O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)/b5-3+	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Electrophorus electricus AChE using acetylcholine iodide as substrate incubated for 15 mins by Ellman's method				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112265 BindingDB Entry DOI: 10.7270/Q2W099J0
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50214744 ((2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic aci...) Show SMILES COc1cc(\C=C\C(O)=O)ccc1O Show InChI InChI=1S/C10H10O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)/b5-3+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human erythrocytes AChE using acetylcholine iodide as substrate incubated for 15 mins by Ellman's method				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112265 BindingDB Entry DOI: 10.7270/Q2W099J0
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50214744 ((2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic aci...) Show SMILES COc1cc(\C=C\C(O)=O)ccc1O Show InChI InChI=1S/C10H10O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)/b5-3+	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Guangzhou Institute of Biomedicine and Health Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylcholine chloride as substrate preincubated for 15 mins by Ellman's method				Bioorg Med Chem 19: 7228-35 (2011) Article DOI: 10.1016/j.bmc.2011.09.040 BindingDB Entry DOI: 10.7270/Q23F4Q3K
					More data for this Ligand-Target Pair