Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cholinesterase' and Ligand = 'BDBM50342606'   

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))	BDBM50342606 (2,5-bis(3-(benzo[d]thiazol-2-ylmethylamino)propyla...) Show SMILES Oc1cc(N=CCCNCc2nc3ccccc3s2)c(O)cc1NCCCNCc1nc2ccccc2s1 |w:4.3| Show InChI InChI=1S/C28H30N6O2S2/c35-23-16-22(32-14-6-12-30-18-28-34-20-8-2-4-10-26(20)38-28)24(36)15-21(23)31-13-5-11-29-17-27-33-19-7-1-3-9-25(19)37-27/h1-4,7-10,13,15-16,29-30,32,35-36H,5-6,11-12,14,17-18H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Department of Pharmaceutical Sciences-Alma Mater Studiorum-Bologna University Curated by ChEMBL					Assay Description Inhibition of human serum BuChE				Bioorg Med Chem Lett 21: 2655-8 (2011) Article DOI: 10.1016/j.bmcl.2010.12.093 BindingDB Entry DOI: 10.7270/Q2445MSW
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