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PubMed code 19029917

Compile data set for download or QSAR
Found 5 hits of Enzyme Inhibition Constant Data   
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
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM60622
PNG
(BDBM50300355 | US9133148, A)
Show SMILES OC(C1CCN(CC1)C(=O)Oc1ccc(cc1)[N+]([O-])=O)(c1ccc2OCOc2c1)c1ccc2OCOc2c1
Show InChI InChI=1S/C27H24N2O9/c30-26(38-21-5-3-20(4-6-21)29(32)33)28-11-9-17(10-12-28)27(31,18-1-7-22-24(13-18)36-15-34-22)19-2-8-23-25(14-19)37-16-35-23/h1-8,13-14,17,31H,9-12,15-16H2
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n/an/a 4n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant FAAH expressed in Cos7 cells after 30 mins by using anandamide as a substrate by LC-MS method


Nat Chem Biol 5: 37-44 (2008)


Article DOI: 10.1038/nchembio.129
BindingDB Entry DOI: 10.7270/Q2DN4582
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM60622
PNG
(BDBM50300355 | US9133148, A)
Show SMILES OC(C1CCN(CC1)C(=O)Oc1ccc(cc1)[N+]([O-])=O)(c1ccc2OCOc2c1)c1ccc2OCOc2c1
Show InChI InChI=1S/C27H24N2O9/c30-26(38-21-5-3-20(4-6-21)29(32)33)28-11-9-17(10-12-28)27(31,18-1-7-22-24(13-18)36-15-34-22)19-2-8-23-25(14-19)37-16-35-23/h1-8,13-14,17,31H,9-12,15-16H2
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n/an/a 6n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant MAGL expressed in Cos7 cells after 30 mins by using 2-AG as a substrate by LC-MS method


Nat Chem Biol 5: 37-44 (2008)


Article DOI: 10.1038/nchembio.129
BindingDB Entry DOI: 10.7270/Q2DN4582
More data for this
Ligand-Target Pair
Monoglyceride Lipase (MGL)


(Mus musculus (mouse))
BDBM60622
PNG
(BDBM50300355 | US9133148, A)
Show SMILES OC(C1CCN(CC1)C(=O)Oc1ccc(cc1)[N+]([O-])=O)(c1ccc2OCOc2c1)c1ccc2OCOc2c1
Show InChI InChI=1S/C27H24N2O9/c30-26(38-21-5-3-20(4-6-21)29(32)33)28-11-9-17(10-12-28)27(31,18-1-7-22-24(13-18)36-15-34-22)19-2-8-23-25(14-19)37-16-35-23/h1-8,13-14,17,31H,9-12,15-16H2
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n/an/a 8n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of MAGL in C57B1/6J mouse brain membrane after 30 mins by using 2-AG as a substrate by LC-MS method


Nat Chem Biol 5: 37-44 (2008)


Article DOI: 10.1038/nchembio.129
BindingDB Entry DOI: 10.7270/Q2DN4582
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Mus musculus (mouse))
BDBM60622
PNG
(BDBM50300355 | US9133148, A)
Show SMILES OC(C1CCN(CC1)C(=O)Oc1ccc(cc1)[N+]([O-])=O)(c1ccc2OCOc2c1)c1ccc2OCOc2c1
Show InChI InChI=1S/C27H24N2O9/c30-26(38-21-5-3-20(4-6-21)29(32)33)28-11-9-17(10-12-28)27(31,18-1-7-22-24(13-18)36-15-34-22)19-2-8-23-25(14-19)37-16-35-23/h1-8,13-14,17,31H,9-12,15-16H2
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n/an/a 4.00E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of FAAH in C57B1/6J mouse brain membrane after 20 mins by using oleamide as a substrate by LC-MS method


Nat Chem Biol 5: 37-44 (2008)


Article DOI: 10.1038/nchembio.129
BindingDB Entry DOI: 10.7270/Q2DN4582
More data for this
Ligand-Target Pair
Monoglyceride lipase (MGL)


(Rattus norvegicus (Rat))
BDBM50128581
PNG
(Biphenyl-3-yl-carbamic acid cyclohexyl ester | CHE...)
Show SMILES O=C(Nc1cccc(c1)-c1ccccc1)OC1CCCCC1
Show InChI InChI=1S/C19H21NO2/c21-19(22-18-12-5-2-6-13-18)20-17-11-7-10-16(14-17)15-8-3-1-4-9-15/h1,3-4,7-11,14,18H,2,5-6,12-13H2,(H,20,21)
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n/an/a 2.00E+5n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of MAGL in Wistar rat brain


Nat Chem Biol 5: 37-44 (2008)


Article DOI: 10.1038/nchembio.129
BindingDB Entry DOI: 10.7270/Q2DN4582
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%