Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cholinesterase' and Ligand = 'BDBM50028569'   

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 (Homo sapiens (Human))	BDBM50028569 (CHEMBL3338955) Show SMILES COc1ccc(OCc2nn3c(nnc3s2)-c2cccnc2)cc1 Show InChI InChI=1S/C16H13N5O2S/c1-22-12-4-6-13(7-5-12)23-10-14-20-21-15(18-19-16(21)24-14)11-3-2-8-17-9-11/h2-9H,10H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.58E+4	n/a	n/a	n/a	n/a	n/a	n/a
Quaid-i-Azam University Curated by ChEMBL					Assay Description Inhibition of human BChE by Ellman's method				Bioorg Med Chem 22: 6163-73 (2014) Article DOI: 10.1016/j.bmc.2014.08.026 BindingDB Entry DOI: 10.7270/Q2JQ12M3
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