Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cholinesterase' and Ligand = 'BDBM50468743'   

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))	BDBM50468743 (CHEMBL4284357) Show SMILES CN(C)CCN(CC1CCCN(C1)C1Cc2ccccc2C1)C(=O)c1cn2cccc(O)c2n1 Show InChI InChI=1S/C27H35N5O2/c1-29(2)13-14-32(27(34)24-19-31-12-6-10-25(33)26(31)28-24)18-20-7-5-11-30(17-20)23-15-21-8-3-4-9-22(21)16-23/h3-4,6,8-10,12,19-20,23,33H,5,7,11,13-18H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	135	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of human BChE using butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition and measured for 1 min b...				Eur J Med Chem 156: 598-617 (2018) Article DOI: 10.1016/j.ejmech.2018.07.033 BindingDB Entry DOI: 10.7270/Q27W6FW2
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