Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cholinesterase' and Ligand = 'BDBM50018228'   

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))	BDBM50018228 (2,2-Bis-(4-dimethylcarbamoyloxy-phenyl)-propionic ...) Show SMILES CCN(CC)CCOC(=O)C(C)(c1ccc(OC(=O)N(C)C)cc1)c1ccc(OC(=O)N(C)C)cc1 Show InChI InChI=1S/C27H37N3O6/c1-8-30(9-2)18-19-34-24(31)27(3,20-10-14-22(15-11-20)35-25(32)28(4)5)21-12-16-23(17-13-21)36-26(33)29(6)7/h10-17H,8-9,18-19H2,1-7H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Research Curated by ChEMBL					Assay Description Inhibition of anticholinesterase activity by their ability to inactivate human serum butyrylcholinesterase				J Med Chem 32: 1522-8 (1989) BindingDB Entry DOI: 10.7270/Q2VQ3374
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