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BDBM50324698 CHEMBL1222256::Ethyl octylfluorophosphonate

SMILES: CCCCCCCCP(F)(=O)OC(C)C

InChI Key: InChIKey=GLHLEAFTUHVDCD-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50324698   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Monoglyceride Lipase (MGL)


(Mus musculus (mouse))
BDBM50324698
PNG
(CHEMBL1222256 | Ethyl octylfluorophosphonate)
Show SMILES CCCCCCCCP(F)(=O)OC(C)C
Show InChI InChI=1S/C11H24FO2P/c1-4-5-6-7-8-9-10-15(12,13)14-11(2)3/h11H,4-10H2,1-3H3
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Displacement of 2-arachidonylglycerol from MAGL in Swiss Webster mouse brain after 5 mins


Nat Chem Biol 4: 373-8 (2008)


Article DOI: 10.1038/nchembio.86
BindingDB Entry DOI: 10.7270/Q2SX6DF4
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Mus musculus (mouse))
BDBM50324698
PNG
(CHEMBL1222256 | Ethyl octylfluorophosphonate)
Show SMILES CCCCCCCCP(F)(=O)OC(C)C
Show InChI InChI=1S/C11H24FO2P/c1-4-5-6-7-8-9-10-15(12,13)14-11(2)3/h11H,4-10H2,1-3H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.400n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Displacement of [3H]anandamide from FAAH in Swiss Webster mouse brain after 5 mins


Nat Chem Biol 4: 373-8 (2008)


Article DOI: 10.1038/nchembio.86
BindingDB Entry DOI: 10.7270/Q2SX6DF4
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))
BDBM50324698
PNG
(CHEMBL1222256 | Ethyl octylfluorophosphonate)
Show SMILES CCCCCCCCP(F)(=O)OC(C)C
Show InChI InChI=1S/C11H24FO2P/c1-4-5-6-7-8-9-10-15(12,13)14-11(2)3/h11H,4-10H2,1-3H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 120n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Displacement of acetylcholine from AChE in Swiss Webster mouse brain after 5 mins


Nat Chem Biol 4: 373-8 (2008)


Article DOI: 10.1038/nchembio.86
BindingDB Entry DOI: 10.7270/Q2SX6DF4
More data for this
Ligand-Target Pair