Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50272801'   

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))	BDBM50272801 (2-(4''-Methylphenyl)-4-(3'-hydroxyphenyl)-2,3-dihy...) Show SMILES Cc1ccc(cc1)C1CC(=Nc2ccccc2S1)c1cccc(O)c1 |c:10| Show InChI InChI=1S/C22H19NOS/c1-15-9-11-16(12-10-15)22-14-20(17-5-4-6-18(24)13-17)23-19-7-2-3-8-21(19)25-22/h2-13,22,24H,14H2,1H3	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	4.94E+4	n/a	n/a	n/a	n/a	n/a	n/a
Quaid-i-Azam University Curated by ChEMBL					Assay Description Inhibition of AchE (unknown origin)				Bioorg Med Chem 16: 7691-7 (2008) Article DOI: 10.1016/j.bmc.2008.07.009 BindingDB Entry DOI: 10.7270/Q2PZ58N6
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50272801 (2-(4''-Methylphenyl)-4-(3'-hydroxyphenyl)-2,3-dihy...) Show SMILES Cc1ccc(cc1)C1CC(=Nc2ccccc2S1)c1cccc(O)c1 |c:10| Show InChI InChI=1S/C22H19NOS/c1-15-9-11-16(12-10-15)22-14-20(17-5-4-6-18(24)13-17)23-19-7-2-3-8-21(19)25-22/h2-13,22,24H,14H2,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	4.98E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Electrophorus electricus (electric eel) acetylcholinesterase (AChE) using acetylthiocholine iodide as substrate preincubated for 15 min				Citation and Details Article DOI: 10.1007/s00044-011-9754-6 BindingDB Entry DOI: 10.7270/Q21G0NSX
					More data for this Ligand-Target Pair