Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM234354'   

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 (Electrophorus electricus (Electric eel))	BDBM234354 (3,4,9,10,11,12-Hexahydro-2H-benzothieno[3,2-e]pyri...) Show SMILES C1CCc2c(C1)sc1N=CN3CCCN=C3c21 |c:9,15| Show InChI InChI=1S/C13H15N3S/c1-2-5-10-9(4-1)11-12-14-6-3-7-16(12)8-15-13(11)17-10/h8H,1-7H2	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.92E+3	-32.6	2.26E+3	n/a	n/a	n/a	n/a	7.3	25
University of Bonn					Assay Description Cholinesterase inhibition was assayed spectrophotometrically at 412 nm at 25°C [Pietsch et al., J. Med. Chem., 48:8270-8288; Ellman et al., Bioch...				J Enzyme Inhib Med Chem 26: 350-8 (2011) Article DOI: 10.3109/14756366.2010.504674 BindingDB Entry DOI: 10.7270/Q2959GF5
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM234354 (3,4,9,10,11,12-Hexahydro-2H-benzothieno[3,2-e]pyri...) Show SMILES C1CCc2c(C1)sc1N=CN3CCCN=C3c21 |c:9,15| Show InChI InChI=1S/C13H15N3S/c1-2-5-10-9(4-1)11-12-14-6-3-7-16(12)8-15-13(11)17-10/h8H,1-7H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.05E+4	n/a	n/a	n/a	n/a	7.3	25
University of Bonn					Assay Description Cholinesterase inhibition was assayed spectrophotometrically at 412 nm at 25°C [Pietsch et al., J. Med. Chem., 48:8270-8288; Ellman et al., Bioch...				J Enzyme Inhib Med Chem 26: 350-8 (2011) Article DOI: 10.3109/14756366.2010.504674 BindingDB Entry DOI: 10.7270/Q2959GF5
					More data for this Ligand-Target Pair