Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cholinesterase' and Ligand = 'BDBM50050564'   

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
Cholinesterase (Equus caballus (Horse))	BDBM50050564 (CHEMBL3309348) Show SMILES [H][C@@]12CC=C(CO)[C@H](CC[C@H](C)CC(=O)OCCCN3CCOCC3)[C@@]1(C)CCCC2(C)C |r,t:3| Show InChI InChI=1S/C27H47NO4/c1-21(19-25(30)32-16-6-13-28-14-17-31-18-15-28)7-9-23-22(20-29)8-10-24-26(2,3)11-5-12-27(23,24)4/h8,21,23-24,29H,5-7,9-20H2,1-4H3/t21-,23-,24-,27+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Nacional del Sur Curated by ChEMBL					Assay Description Inhibition of horse serum BChE by spectrophotometry based Ellman's method				Bioorg Med Chem 22: 3838-49 (2014) Article DOI: 10.1016/j.bmc.2014.06.030 BindingDB Entry DOI: 10.7270/Q2VT1TQC
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