BindingDB PrimarySearch

BDBM50022772 CHEMBL1025::Diisopropoxyphosphoryl fluoride::Diisopropyl fluorophosphonate::Diisopropyl phosphofluoridate::Diisopropyl phosphorofluoridate::Diisopropylfluorophosphate::Diisopropylfluorophosphoric acid ester::Diisopropylphosphorofluoridate::Fluorodiisopropyl phosphate::ISOFLUROPHATE::Isofluorphate::Isoflurophosphate::Isopropyl fluophosphate::Isopropyl phosphorofluoridate::Neoglaucit::O,O'-Diisopropyl phosphoryl fluoride::bis(propan-2-yl) fluorophosphate::diisopropyl fluorophosphate

SMILES: CC(C)OP(F)(=O)OC(C)C

InChI Key: InChIKey=MUCZHBLJLSDCSD-UHFFFAOYSA-N

Data: 8 KI 4 IC50 2 Kd 1 K_on

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 15 hits for monomerid = 50022772
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Cyclooxygenase (Homo sapiens (Human))	BDBM50022772 (CHEMBL1025 \| Diisopropoxyphosphoryl fluoride \| Dii...) Show SMILES CC(C)OP(F)(=O)OC(C)C Show InChI	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	Article PubMed	170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
St. Bartholomew's and the Royal London School of Medicine and Dentistry Curated by PDSP K_i Database									Proc Natl Acad Sci U S A 96: 7563-8 (1999) Article DOI: 10.1073/pnas.96.13.7563 BindingDB Entry DOI: 10.7270/Q21G0JT4
					More data for this Ligand-Target Pair
Cyclooxygenase (Homo sapiens (Human))	BDBM50022772 (CHEMBL1025 \| Diisopropoxyphosphoryl fluoride \| Dii...) Show SMILES CC(C)OP(F)(=O)OC(C)C Show InChI	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	Article PubMed	760	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
St. Bartholomew's and the Royal London School of Medicine and Dentistry Curated by PDSP K_i Database									Proc Natl Acad Sci U S A 96: 7563-8 (1999) Article DOI: 10.1073/pnas.96.13.7563 BindingDB Entry DOI: 10.7270/Q21G0JT4
					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	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
University of Missouri St. Louis Curated by ChEMBL					More data for this Ligand-Target Pair
Cyclooxygenase-1 (COX-1) (Homo sapiens (Human))	BDBM50022772 (CHEMBL1025 \| Diisopropoxyphosphoryl fluoride \| Dii...) Show SMILES CC(C)OP(F)(=O)OC(C)C Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
St. Bartholomew's and the Royal London School of Medicine and Dentistry Curated by PDSP K_i Database									Proc Natl Acad Sci U S A 96: 7563-8 (1999) Article DOI: 10.1073/pnas.96.13.7563 BindingDB Entry DOI: 10.7270/Q21G0JT4
					More data for this Ligand-Target Pair
n-AChR (RAT)	BDBM50022772 (CHEMBL1025 \| Diisopropoxyphosphoryl fluoride \| Dii...) Show SMILES CC(C)OP(F)(=O)OC(C)C Show InChI	GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse Curated by PDSP K_i Database									Mol Pharmacol 57: 642-9 (2000) Article DOI: 10.1124/mol.57.3.642 BindingDB Entry DOI: 10.7270/Q21C1VF8
					More data for this Ligand-Target Pair
n-AChR (RAT)	BDBM50022772 (CHEMBL1025 \| Diisopropoxyphosphoryl fluoride \| Dii...) Show SMILES CC(C)OP(F)(=O)OC(C)C Show InChI	GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Curated by PDSP K_i Database									Mol Pharmacol 48: 280-7 (1995) BindingDB Entry DOI: 10.7270/Q2280648
Georgetown University Curated by PDSP K_i Database					More data for this Ligand-Target Pair
n-AChR (RAT)	BDBM50022772 (CHEMBL1025 \| Diisopropoxyphosphoryl fluoride \| Dii...) Show SMILES CC(C)OP(F)(=O)OC(C)C Show InChI	GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Curated by PDSP K_i Database									Mol Pharmacol 48: 280-7 (1995) BindingDB Entry DOI: 10.7270/Q2280648
Georgetown University Curated by PDSP K_i Database					More data for this Ligand-Target Pair
n-AChR (RAT)	BDBM50022772 (CHEMBL1025 \| Diisopropoxyphosphoryl fluoride \| Dii...) Show SMILES CC(C)OP(F)(=O)OC(C)C Show InChI	GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Curated by PDSP K_i Database									Mol Pharmacol 39: 9-12 (1991) BindingDB Entry DOI: 10.7270/Q23T9FPK
Georgetown University Curated by PDSP K_i Database					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	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
Universit£ di Siena Curated by ChEMBL					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	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
University of Missouri St. Louis Curated by ChEMBL					More data for this Ligand-Target Pair
Cathepsin A (CTSA) (Homo sapiens (Human))	BDBM50022772 (CHEMBL1025 \| Diisopropoxyphosphoryl fluoride \| Dii...) Show SMILES CC(C)OP(F)(=O)OC(C)C Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences, Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant CatA using [14C]GS7340 substrate				Antimicrob Agents Chemother 51: 543-50 (2007) Article DOI: 10.1128/AAC.00968-06 BindingDB Entry DOI: 10.7270/Q2ZG6RW5
Gilead Sciences, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Carboxylesterase (Sus scrofa)	BDBM50022772 (CHEMBL1025 \| Diisopropoxyphosphoryl fluoride \| Dii...) Show SMILES CC(C)OP(F)(=O)OC(C)C Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences, Inc. Curated by ChEMBL					Assay Description Inhibition of porcine liver carboxylesterase using [14C]GS7340 substrate				Antimicrob Agents Chemother 51: 543-50 (2007) Article DOI: 10.1128/AAC.00968-06 BindingDB Entry DOI: 10.7270/Q2ZG6RW5
Gilead Sciences, Inc. Curated by ChEMBL					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	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
Universit£ di Siena Curated by ChEMBL					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	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
Universit£ di Siena Curated by ChEMBL					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	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
NIDDK Curated by ChEMBL					More data for this Ligand-Target Pair