Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50130205'   

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))	BDBM50130205 (CHEMBL3632857) Show SMILES COc1ccc(cc1)-c1cc2O[C@]3(C)CC[C@@]4(O)C(C)(C)[C@@H](C[C@H](O)[C@]4(C)[C@@]3(O)Cc2c(=O)o1)OC(C)=O |r| Show InChI InChI=1S/C29H36O9/c1-16(30)36-23-14-22(31)27(5)28(33,25(23,2)3)12-11-26(4)29(27,34)15-19-21(38-26)13-20(37-24(19)32)17-7-9-18(35-6)10-8-17/h7-10,13,22-23,31,33-34H,11-12,14-15H2,1-6H3/t22-,23+,26+,27-,28+,29+/m0/s1	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	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Alchemical Research, LLC Curated by ChEMBL					Assay Description Inhibition of human AChE				Bioorg Med Chem Lett 25: 4848-53 (2015) Article DOI: 10.1016/j.bmcl.2015.06.047 BindingDB Entry DOI: 10.7270/Q2668G1T
					More data for this Ligand-Target Pair