Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50022772'   

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))	BDBM50022772 (CHEMBL1025 | Diisopropoxyphosphoryl fluoride | Dii...) Show SMILES CC(C)OP(F)(=O)OC(C)C Show InChI InChI=1S/C6H14FO3P/c1-5(2)9-11(7,8)10-6(3)4/h5-6H,1-4H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents	DrugBank Article PubMed	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Missouri St. Louis Curated by ChEMBL					Assay Description Inhibition of human AChE assessed as equilibrium binding by modified Ellman's spectrophotometric method				Bioorg Med Chem 18: 2265-74 (2010) Article DOI: 10.1016/j.bmc.2010.01.063 BindingDB Entry DOI: 10.7270/Q2RV0NTP
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50022772 (CHEMBL1025 | Diisopropoxyphosphoryl fluoride | Dii...) Show SMILES CC(C)OP(F)(=O)OC(C)C Show InChI InChI=1S/C6H14FO3P/c1-5(2)9-11(7,8)10-6(3)4/h5-6H,1-4H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents	DrugBank Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
University of Missouri St. Louis Curated by ChEMBL					Assay Description Inhibition of human AChE by modified Ellman's spectrophotometric method				Bioorg Med Chem 18: 2265-74 (2010) Article DOI: 10.1016/j.bmc.2010.01.063 BindingDB Entry DOI: 10.7270/Q2RV0NTP
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50022772 (CHEMBL1025 | Diisopropoxyphosphoryl fluoride | Dii...) Show SMILES CC(C)OP(F)(=O)OC(C)C Show InChI InChI=1S/C6H14FO3P/c1-5(2)9-11(7,8)10-6(3)4/h5-6H,1-4H3	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents	PubMed	n/a	n/a	480	n/a	n/a	n/a	n/a	n/a	n/a
NIDDK Curated by ChEMBL					Assay Description In vitro inhibitory activity against acetylcholinesterase from electric eel				J Med Chem 31: 2297-300 (1989) BindingDB Entry DOI: 10.7270/Q2DZ08WZ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50022772 (CHEMBL1025 | Diisopropoxyphosphoryl fluoride | Dii...) Show SMILES CC(C)OP(F)(=O)OC(C)C Show InChI InChI=1S/C6H14FO3P/c1-5(2)9-11(7,8)10-6(3)4/h5-6H,1-4H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents	DrugBank Article PubMed	n/a	n/a	n/a	1.30E+4	n/a	n/a	n/a	n/a	n/a
Universit£ di Siena Curated by ChEMBL					Assay Description Binding affinity to human AChE				J Med Chem 51: 3154-70 (2008) Article DOI: 10.1021/jm701253t BindingDB Entry DOI: 10.7270/Q22Z16D4
					More data for this Ligand-Target Pair
Acetylcholinesterase (Tetronarce californica (Pacific electric ray) (Tor...)	BDBM50022772 (CHEMBL1025 | Diisopropoxyphosphoryl fluoride | Dii...) Show SMILES CC(C)OP(F)(=O)OC(C)C Show InChI InChI=1S/C6H14FO3P/c1-5(2)9-11(7,8)10-6(3)4/h5-6H,1-4H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	n/a	7.00E+4	n/a	n/a	n/a	n/a	n/a
Universit£ di Siena Curated by ChEMBL					Assay Description Inhibition of Torpedo californica AChE				J Med Chem 51: 3154-70 (2008) Article DOI: 10.1021/jm701253t BindingDB Entry DOI: 10.7270/Q22Z16D4
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50022772 (CHEMBL1025 | Diisopropoxyphosphoryl fluoride | Dii...) Show SMILES CC(C)OP(F)(=O)OC(C)C Show InChI InChI=1S/C6H14FO3P/c1-5(2)9-11(7,8)10-6(3)4/h5-6H,1-4H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents	DrugBank Article PubMed	n/a	n/a	n/a	n/a	n/a	n/a	2.17E+3	n/a	n/a
Universit£ di Siena Curated by ChEMBL					Assay Description Inhibition of human AChE				J Med Chem 51: 3154-70 (2008) Article DOI: 10.1021/jm701253t BindingDB Entry DOI: 10.7270/Q22Z16D4
					More data for this Ligand-Target Pair