Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cholinesterase' and Ligand = 'BDBM50541550'   

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))	BDBM50541550 (CHEMBL4644284) Show SMILES [H][C@]12C[C@@H](OC)C=C[C@]11[C@@H](CN2Cc2c(OC)c3OCOc3cc12)OC(=O)c1ccoc1 |r,c:6,@:11,TLB:24:9:23.13.12:1| Show InChI InChI=1S/C23H23NO7/c1-26-14-3-5-23-16-8-17-21(30-12-29-17)20(27-2)15(16)9-24(18(23)7-14)10-19(23)31-22(25)13-4-6-28-11-13/h3-6,8,11,14,18-19H,7,9-10,12H2,1-2H3/t14-,18-,19+,23+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Defence Curated by ChEMBL					Assay Description Inhibition of human BuChE using butyrylthiocholine iodide as substrate measured for 1 min by spectrophotometric based Ellman's method				J Nat Prod 83: 1359-1367 (2020) Article DOI: 10.1021/acs.jnatprod.9b00561 BindingDB Entry DOI: 10.7270/Q2XG9VQ0
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