BDBM10625 ({[bis(propan-2-ylamino)phosphoryl]oxy}(propan-2-ylamino)phosphoryl)(propan-2-yl)amine::CHEMBL494887::iso-OMPA::tetra(monoisopropyl)pyrophosphortetramide

SMILES: CC(C)NP(=O)(NC(C)C)OP(=O)(NC(C)C)NC(C)C

InChI Key: InChIKey=IOIMDJXKIMCMIG-UHFFFAOYSA-N

Data: 7 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 10625   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
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 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
Cholinesterases (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 Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	980	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
Cholinesterases (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 Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	134	n/a	n/a	n/a	n/a	8.0	n/a
Shenyang Pharmaceutical University					Assay Description The reaction mixture was consisted of 100 µL of the total volume. To the solution of PBS (pH 8.0, 30 µL) consisted of KH2PO4 and K2HPO4 in 96-well pl...				Bioorg Chem 68: 112-123 (2016) Article DOI: 10.1016/j.bioorg.2016.07.013 BindingDB Entry DOI: 10.7270/Q27W6B05
					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 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
					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 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 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
					More data for this Ligand-Target Pair
Cholinesterases (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 Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	733	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description Inhibition of human plasma BuchE 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