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 Kon

Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 15 hits for monomerid = 50022772   

TargetProstaglandin G/H synthase 2(Homo sapiens (Human))
St. Bartholomew's and the Royal London School of Medicine and Dentistry

Curated by PDSP Ki Database
LigandPNGBDBM50022772(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
Affinity DataKi:  170nMMore data for this Ligand-Target Pair
TargetProstaglandin G/H synthase 2(Homo sapiens (Human))
St. Bartholomew's and the Royal London School of Medicine and Dentistry

Curated by PDSP Ki Database
LigandPNGBDBM50022772(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
Affinity DataKi:  760nMMore data for this Ligand-Target Pair
TargetAcetylcholinesterase(Homo sapiens (Human))
University of Missouri St. Louis

Curated by ChEMBL
LigandPNGBDBM50022772(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
Affinity DataKi:  6.00E+3nMAssay Description:Inhibition of human AChE assessed as equilibrium binding by modified Ellman's spectrophotometric methodMore data for this Ligand-Target Pair
TargetProstaglandin G/H synthase 1(Homo sapiens (Human))
St. Bartholomew's and the Royal London School of Medicine and Dentistry

Curated by PDSP Ki Database
LigandPNGBDBM50022772(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
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
TargetNicotinic acetylcholine receptor(RAT)
National Institute on Drug Abuse

Curated by PDSP Ki Database
LigandPNGBDBM50022772(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
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
TargetNicotinic acetylcholine receptor(RAT)
National Institute on Drug Abuse

Curated by PDSP Ki Database
LigandPNGBDBM50022772(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
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetNicotinic acetylcholine receptor(RAT)
National Institute on Drug Abuse

Curated by PDSP Ki Database
LigandPNGBDBM50022772(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
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetNicotinic acetylcholine receptor(RAT)
National Institute on Drug Abuse

Curated by PDSP Ki Database
LigandPNGBDBM50022772(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
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetAcetylcholinesterase(Tetronarce californica (Pacific electric ray) (Tor...)
Universit£ di Siena

Curated by ChEMBL
LigandPNGBDBM50022772(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
Affinity DataKd:  7.00E+4nMAssay Description:Inhibition of Torpedo californica AChEMore data for this Ligand-Target Pair
TargetAcetylcholinesterase(Homo sapiens (Human))
University of Missouri St. Louis

Curated by ChEMBL
LigandPNGBDBM50022772(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
Affinity DataIC50: 120nMAssay Description:Inhibition of human AChE by modified Ellman's spectrophotometric methodMore data for this Ligand-Target Pair
TargetLysosomal protective protein(Homo sapiens (Human))
Gilead Sciences Inc

Curated by ChEMBL
LigandPNGBDBM50022772(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
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of recombinant CatA using [14C]GS7340 substrateMore data for this Ligand-Target Pair
TargetLiver carboxylesterase(Sus scrofa)
Gilead Sciences Inc

Curated by ChEMBL
LigandPNGBDBM50022772(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
Affinity DataIC50: 50nMAssay Description:Inhibition of porcine liver carboxylesterase using [14C]GS7340 substrateMore data for this Ligand-Target Pair
TargetAcetylcholinesterase(Homo sapiens (Human))
University of Missouri St. Louis

Curated by ChEMBL
LigandPNGBDBM50022772(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
Affinity DataKoff:  2.17E+3s-1Assay Description:Inhibition of human AChEMore data for this Ligand-Target Pair
TargetAcetylcholinesterase(Homo sapiens (Human))
University of Missouri St. Louis

Curated by ChEMBL
LigandPNGBDBM50022772(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
Affinity DataKd:  1.30E+4nMAssay Description:Binding affinity to human AChEMore data for this Ligand-Target Pair
TargetAcetylcholinesterase(Electrophorus electricus (Electric eel))
NIDDK

Curated by ChEMBL
LigandPNGBDBM50022772(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
Affinity DataIC50: 480nMAssay Description:In vitro inhibitory activity against acetylcholinesterase from electric eelMore data for this Ligand-Target Pair