Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM10625'   

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))	BDBM10625 (({[bis(propan-2-ylamino)phosphoryl]oxy}(propan-2-y...) Show SMILES CC(C)NP(=O)(NC(C)C)OP(=O)(NC(C)C)NC(C)C Show InChI InChI=1S/C12H32N4O3P2/c1-9(2)13-20(17,14-10(3)4)19-21(18,15-11(5)6)16-12(7)8/h9-12H,1-8H3,(H2,13,14,17)(H2,15,16,18)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description Inhibition of electric eel AchE by Ellman's method				J Med Chem 51: 6400-9 (2008) Article DOI: 10.1021/jm800564y BindingDB Entry DOI: 10.7270/Q2RV0NJ3
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM10625 (({[bis(propan-2-ylamino)phosphoryl]oxy}(propan-2-y...) Show SMILES CC(C)NP(=O)(NC(C)C)OP(=O)(NC(C)C)NC(C)C Show InChI InChI=1S/C12H32N4O3P2/c1-9(2)13-20(17,14-10(3)4)19-21(18,15-11(5)6)16-12(7)8/h9-12H,1-8H3,(H2,13,14,17)(H2,15,16,18)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Institute for Natural Products Applications and Research Technologies Curated by ChEMBL					Assay Description Inhibition of electric eel AChE incubated for 15 mins by Ellman's method				J Nat Prod 82: 2627-2637 (2019) Article DOI: 10.1021/acs.jnatprod.9b00563 BindingDB Entry DOI: 10.7270/Q2028W03
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM10625 (({[bis(propan-2-ylamino)phosphoryl]oxy}(propan-2-y...) Show SMILES CC(C)NP(=O)(NC(C)C)OP(=O)(NC(C)C)NC(C)C Show InChI InChI=1S/C12H32N4O3P2/c1-9(2)13-20(17,14-10(3)4)19-21(18,15-11(5)6)16-12(7)8/h9-12H,1-8H3,(H2,13,14,17)(H2,15,16,18)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Institute for Natural Products Applications and Research Technologies Curated by ChEMBL					Assay Description Inhibition of electric eel AChE incubated for 15 mins by Ellman's method				J Nat Prod 82: 2627-2637 (2019) Article DOI: 10.1021/acs.jnatprod.9b00563 BindingDB Entry DOI: 10.7270/Q2028W03
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM10625 (({[bis(propan-2-ylamino)phosphoryl]oxy}(propan-2-y...) Show SMILES CC(C)NP(=O)(NC(C)C)OP(=O)(NC(C)C)NC(C)C Show InChI InChI=1S/C12H32N4O3P2/c1-9(2)13-20(17,14-10(3)4)19-21(18,15-11(5)6)16-12(7)8/h9-12H,1-8H3,(H2,13,14,17)(H2,15,16,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.40E+5	n/a	n/a	n/a	n/a	n/a	n/a
National Institutes of Health					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...				J Med Chem 49: 2174-85 (2006) Article DOI: 10.1021/jm050578p BindingDB Entry DOI: 10.7270/Q2S75DJ6
					More data for this Ligand-Target Pair