Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50113645'   

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 (Bos taurus (bovine))	BDBM50113645 (CHEMBL39918 | Huperzine Analogue) Show SMILES CC1=C2C3Cc4[nH]c(=O)ccc4C2(CC(C)=C3)NC1 |c:1,17,TLB:10:11:2:16.14.13,THB:6:5:2:16.14.13| Show InChI InChI=1S/C16H18N2O/c1-9-5-11-6-13-12(3-4-14(19)18-13)16(7-9)15(11)10(2)8-17-16/h3-5,11,17H,6-8H2,1-2H3,(H,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	220	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Medical Center Curated by ChEMBL					Assay Description Inhibitory constant against fetal bovine serum (FBS) acetylcholinesterase				Bioorg Med Chem Lett 12: 1521-3 (2002) BindingDB Entry DOI: 10.7270/Q2FX79ZW
					More data for this Ligand-Target Pair