Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50467898'   

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 (Mus musculus (mouse))	BDBM50467898 (CHEMBL4282214) Show SMILES [H][C@@]12OC(C)(C)O[C@]1([H])[C@@]1([H])OC(C)(C)O[C@@]1([H])[C@@H](CNCCCCCCCCCNc1c3CCCCc3nc3ccccc13)O2 |r| Show InChI InChI=1S/C34H51N3O5/c1-33(2)39-29-27(38-32-31(30(29)40-33)41-34(3,4)42-32)22-35-20-14-8-6-5-7-9-15-21-36-28-23-16-10-12-18-25(23)37-26-19-13-11-17-24(26)28/h10,12,16,18,27,29-32,35H,5-9,11,13-15,17,19-22H2,1-4H3,(H,36,37)/t27-,29+,30+,31-,32-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	4.80	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Acetylcholinesterase (Mus musculus (mouse))	BDBM50467898 (CHEMBL4282214) Show SMILES [H][C@@]12OC(C)(C)O[C@]1([H])[C@@]1([H])OC(C)(C)O[C@@]1([H])[C@@H](CNCCCCCCCCCNc1c3CCCCc3nc3ccccc13)O2 |r| Show InChI InChI=1S/C34H51N3O5/c1-33(2)39-29-27(38-32-31(30(29)40-33)41-34(3,4)42-32)22-35-20-14-8-6-5-7-9-15-21-36-28-23-16-10-12-18-25(23)37-26-19-13-11-17-24(26)28/h10,12,16,18,27,29-32,35H,5-9,11,13-15,17,19-22H2,1-4H3,(H,36,37)/t27-,29+,30+,31-,32-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.60	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Rio Grande do Sul Curated by ChEMBL					Assay Description Inhibition of AChE in Swiss Webster mouse cerebral homogenate using acetylthiocholine iodide as substrate preincubated for 10 mins followed substrate...				Bioorg Med Chem 26: 5566-5577 (2018) Article DOI: 10.1016/j.bmc.2018.10.003 BindingDB Entry DOI: 10.7270/Q2B56NFD
					More data for this Ligand-Target Pair