Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50004654'   

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
Acetylcholinesterase (Homo sapiens (Human))	BDBM50004654 (CHEMBL106344 | N-[2-(5-Dimethylaminomethyl-furan-2...) Show SMILES CN(C)Cc1ccc(CSCCNc2cc(NCc3ccccn3)c(cc2[N+]([O-])=O)[N+]([O-])=O)o1 Show InChI InChI=1S/C22H26N6O5S/c1-26(2)14-17-6-7-18(33-17)15-34-10-9-24-19-11-20(25-13-16-5-3-4-8-23-16)22(28(31)32)12-21(19)27(29)30/h3-8,11-12,24-25H,9-10,13-15H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of South Carolina Curated by ChEMBL					Assay Description In vitro inhibition of human acetylcholinesterase.				J Med Chem 35: 3141-7 (1992) BindingDB Entry DOI: 10.7270/Q200012X
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