Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cholinesterase' and Ligand = 'BDBM50246977'   

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))	BDBM50246977 (CHEMBL4077192) Show SMILES O=C(NCC1CCCN(C1)C1Cc2ccccc2C1)c1cccc2ccccc12 Show InChI InChI=1S/C26H28N2O/c29-26(25-13-5-11-20-8-3-4-12-24(20)25)27-17-19-7-6-14-28(18-19)23-15-21-9-1-2-10-22(21)16-23/h1-5,8-13,19,23H,6-7,14-18H2,(H,27,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	67	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of recombinant human BChE using butyrylthiocholine iodide as substrate preincubated for 300 secs followed by substrate addition measured f...				J Med Chem 61: 119-139 (2018) Article DOI: 10.1021/acs.jmedchem.7b01086 BindingDB Entry DOI: 10.7270/Q2S75JRJ
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