Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM13538'   

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 (Tetronarce californica (Pacific electric ray) (Tor...)	BDBM13538 (3,4,5-Trimethoxy-N-(3-oxo-3-(2-(1,2,3,4-tetrahydro...) Show SMILES COc1cc(cc(OC)c1OC)C(=O)NCCC(=O)NNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C26H30N4O5/c1-33-21-14-16(15-22(34-2)25(21)35-3)26(32)27-13-12-23(31)29-30-24-17-8-4-6-10-19(17)28-20-11-7-5-9-18(20)24/h4,6,8,10,14-15H,5,7,9,11-13H2,1-3H3,(H,27,32)(H,28,30)(H,29,31)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	49.5	n/a	n/a	n/a	n/a	n/a	n/a
Rheinische Friedrich-Wilhelms-Universitat Bonn					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changed at 412 nm and was monitored with spectr...				J Med Chem 49: 7540-4 (2006) Article DOI: 10.1021/jm060742o BindingDB Entry DOI: 10.7270/Q21Z42NF
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM13538 (3,4,5-Trimethoxy-N-(3-oxo-3-(2-(1,2,3,4-tetrahydro...) Show SMILES COc1cc(cc(OC)c1OC)C(=O)NCCC(=O)NNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C26H30N4O5/c1-33-21-14-16(15-22(34-2)25(21)35-3)26(32)27-13-12-23(31)29-30-24-17-8-4-6-10-19(17)28-20-11-7-5-9-18(20)24/h4,6,8,10,14-15H,5,7,9,11-13H2,1-3H3,(H,27,32)(H,28,30)(H,29,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	89.2	n/a	n/a	n/a	n/a	7.3	25
Rheinische Friedrich-Wilhelms-Universitat Bonn					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changed at 412 nm and was monitored with spectr...				J Med Chem 49: 7540-4 (2006) Article DOI: 10.1021/jm060742o BindingDB Entry DOI: 10.7270/Q21Z42NF
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM13538 (3,4,5-Trimethoxy-N-(3-oxo-3-(2-(1,2,3,4-tetrahydro...) Show SMILES COc1cc(cc(OC)c1OC)C(=O)NCCC(=O)NNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C26H30N4O5/c1-33-21-14-16(15-22(34-2)25(21)35-3)26(32)27-13-12-23(31)29-30-24-17-8-4-6-10-19(17)28-20-11-7-5-9-18(20)24/h4,6,8,10,14-15H,5,7,9,11-13H2,1-3H3,(H,27,32)(H,28,30)(H,29,31)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Rheinische Friedrich-Wilhelms-Universitat Bonn					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changed at 412 nm and was monitored with spectr...				J Med Chem 49: 7540-4 (2006) Article DOI: 10.1021/jm060742o BindingDB Entry DOI: 10.7270/Q21Z42NF
					More data for this Ligand-Target Pair