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Compile Data Set for Download or QSAR

Found 4 hits of ic50 for monomerid = 50022772   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Carboxylesterase


(Sus scrofa)
BDBM50022772
PNG
(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

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
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CHEMBL
DrugBank
KEGG
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 50n/an/an/an/an/an/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
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM50022772
PNG
(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 
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CHEMBL
DrugBank
KEGG
PC cid
PC sid
UniChem

Patents

DrugBank
Article
PubMed
n/an/a 120n/an/an/an/an/an/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
PNG
(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
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CHEMBL
DrugBank
KEGG
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 480n/an/an/an/an/an/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
Cathepsin A (CTSA)


(Homo sapiens (Human))
BDBM50022772
PNG
(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

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 1.00E+4n/an/an/an/an/an/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
More data for this
Ligand-Target Pair