Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cholinesterase' and Ligand = 'BDBM50050696'   

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))	BDBM50050696 (CHEMBL3311456) Show SMILES [H][C@@]12CC=C(CO)[C@H](CC[C@H](C)CC(O)=O)[C@@]1(C)CCCC2(C)C |r,t:3| Show InChI InChI=1S/C20H34O3/c1-14(12-18(22)23)6-8-16-15(13-21)7-9-17-19(2,3)10-5-11-20(16,17)4/h7,14,16-17,21H,5-6,8-13H2,1-4H3,(H,22,23)/t14-,16-,17-,20+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.71E+5	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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