Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cholinesterase' and Ligand = 'BDBM50541556'   

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))	BDBM50541556 (CHEMBL4634465) Show SMILES [H][C@]12C[C@@H](OC)C=C[C@]11[C@@H](CN2Cc2c(OC)c3OCOc3cc12)OC(=O)c1ccccc1[N+]([O-])=O |r,c:6,@:11,TLB:24:9:23.13.12:1| Show InChI InChI=1S/C25H24N2O8/c1-31-14-7-8-25-17-10-19-23(34-13-33-19)22(32-2)16(17)11-26(20(25)9-14)12-21(25)35-24(28)15-5-3-4-6-18(15)27(29)30/h3-8,10,14,20-21H,9,11-13H2,1-2H3/t14-,20-,21+,25+/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	2.30E+3	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
					More data for this Ligand-Target Pair