Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cholinesterase' and Ligand = 'BDBM50380538'   

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))	BDBM50380538 (CHEMBL2019029) Show SMILES O=C(NCCCCCCCCCNc1c2CCCCc2nc2ccccc12)c1cc(=O)c2ccccc2o1 Show InChI InChI=1S/C32H37N3O3/c36-28-22-30(38-29-19-11-8-16-25(28)29)32(37)34-21-13-5-3-1-2-4-12-20-33-31-23-14-6-9-17-26(23)35-27-18-10-7-15-24(27)31/h6,8-9,11,14,16-17,19,22H,1-5,7,10,12-13,15,18,20-21H2,(H,33,35)(H,34,37)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.580	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Qu£mica M£dica Curated by ChEMBL					Assay Description Inhibition of horse serum BChE by Ellman's method				J Med Chem 55: 1303-17 (2012) Article DOI: 10.1021/jm201460y BindingDB Entry DOI: 10.7270/Q2M32WS2
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