Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cholinesterase' and Ligand = 'BDBM10518'   

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))	BDBM10518 (6,8-dichloro-N-{7-[(6,8-dichloro-1,2,3,4-tetrahydr...) Show SMILES Clc1cc(Cl)c2c(NCCCCCCCNc3c4CCCCc4nc4cc(Cl)cc(Cl)c34)c3CCCCc3nc2c1 Show InChI InChI=1S/C33H36Cl4N4/c34-20-16-24(36)30-28(18-20)40-26-12-6-4-10-22(26)32(30)38-14-8-2-1-3-9-15-39-33-23-11-5-7-13-27(23)41-29-19-21(35)17-25(37)31(29)33/h16-19H,1-15H2,(H,38,40)(H,39,41)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Siena Curated by ChEMBL					Assay Description Inhibition of Equine Butyrylcholinesterase				J Med Chem 46: 1-4 (2002) Article DOI: 10.1021/jm0255668 BindingDB Entry DOI: 10.7270/Q2GF0V7X
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