Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50113646'   

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))	BDBM50113646 (CHEMBL37105 | Huperzine Analogue) Show SMILES CCC1=C2C3Cc4[nH]c(=O)ccc4C2(CC(C)=C3)NC1 |c:2,18,TLB:11:12:3:17.15.14,THB:7:6:3:17.15.14| Show InChI InChI=1S/C17H20N2O/c1-3-11-9-18-17-8-10(2)6-12(16(11)17)7-14-13(17)4-5-15(20)19-14/h4-6,12,18H,3,7-9H2,1-2H3,(H,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	400	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