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PubMed code 18752948

Compile data set for download or QSAR
Found 34 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
Monoglyceride Lipase (MGL)


(Mus musculus (mouse))
BDBM50247050
PNG
(4-cyanophenyl ethyl dodecylphosphonate | CHEMBL462...)
Show SMILES CCCCCCCCCCCCP(=O)(OCC)Oc1ccc(cc1)C#N
Show InChI InChI=1S/C21H34NO3P/c1-3-5-6-7-8-9-10-11-12-13-18-26(23,24-4-2)25-21-16-14-20(19-22)15-17-21/h14-17H,3-13,18H2,1-2H3
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n/an/a 0.0700n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of MAGL-mediated 2-arachidonoylglycerol hydrolysis in mouse brain


Bioorg Med Chem Lett 18: 5875-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.007
BindingDB Entry DOI: 10.7270/Q2S75G4N
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Mus musculus (mouse))
BDBM50247048
PNG
(CHEMBL462609 | methyl icosylphosphonofluoridate)
Show SMILES CCCCCCCCCCCCCCCCCCCCP(F)(=O)OC
Show InChI InChI=1S/C21H44FO2P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(22,23)24-2/h3-21H2,1-2H3
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n/an/a 0.100n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of FAAH-mediated [3H]anadamide hydrolysis in mouse brain


Bioorg Med Chem Lett 18: 5875-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.007
BindingDB Entry DOI: 10.7270/Q2S75G4N
More data for this
Ligand-Target Pair
Monoglyceride Lipase (MGL)


(Mus musculus (mouse))
BDBM50247049
PNG
(CHEMBL462610 | ethyl 3,5,6-trichloropyridin-2-yl d...)
Show SMILES CCCCCCCCCCCCP(=O)(OCC)Oc1nc(Cl)c(Cl)cc1Cl
Show InChI InChI=1S/C19H31Cl3NO3P/c1-3-5-6-7-8-9-10-11-12-13-14-27(24,25-4-2)26-19-17(21)15-16(20)18(22)23-19/h15H,3-14H2,1-2H3
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n/an/a 0.140n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of MAGL-mediated 2-arachidonoylglycerol hydrolysis in mouse brain


Bioorg Med Chem Lett 18: 5875-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.007
BindingDB Entry DOI: 10.7270/Q2S75G4N
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Mus musculus (mouse))
BDBM50247052
PNG
(2-Nonylsulfanyl-4H-benzo[1,3,2]dioxaphosphinine 2-...)
Show SMILES CCCCCCCCCSP1(=O)OCc2ccccc2O1
Show InChI InChI=1S/C16H25O3PS/c1-2-3-4-5-6-7-10-13-21-20(17)18-14-15-11-8-9-12-16(15)19-20/h8-9,11-12H,2-7,10,13-14H2,1H3
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n/an/a 0.150n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of FAAH-mediated [3H]anadamide hydrolysis in mouse brain


Bioorg Med Chem Lett 18: 5875-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.007
BindingDB Entry DOI: 10.7270/Q2S75G4N
More data for this
Ligand-Target Pair
Monoglyceride Lipase (MGL)


(Mus musculus (mouse))
BDBM50247051
PNG
(CHEMBL512224 | isopropyl 4-nitrophenyl dodecylphos...)
Show SMILES CCCCCCCCCCCCP(=O)(OC(C)C)Oc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C21H36NO5P/c1-4-5-6-7-8-9-10-11-12-13-18-28(25,26-19(2)3)27-21-16-14-20(15-17-21)22(23)24/h14-17,19H,4-13,18H2,1-3H3
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n/an/a 0.280n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of MAGL-mediated 2-arachidonoylglycerol hydrolysis in mouse brain


Bioorg Med Chem Lett 18: 5875-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.007
BindingDB Entry DOI: 10.7270/Q2S75G4N
More data for this
Ligand-Target Pair
Monoglyceride Lipase (MGL)


(Mus musculus (mouse))
BDBM50247052
PNG
(2-Nonylsulfanyl-4H-benzo[1,3,2]dioxaphosphinine 2-...)
Show SMILES CCCCCCCCCSP1(=O)OCc2ccccc2O1
Show InChI InChI=1S/C16H25O3PS/c1-2-3-4-5-6-7-10-13-21-20(17)18-14-15-11-8-9-12-16(15)19-20/h8-9,11-12H,2-7,10,13-14H2,1H3
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n/an/a 0.310n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of MAGL-mediated 2-arachidonoylglycerol hydrolysis in mouse brain


Bioorg Med Chem Lett 18: 5875-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.007
BindingDB Entry DOI: 10.7270/Q2S75G4N
More data for this
Ligand-Target Pair
Monoglyceride Lipase (MGL)


(Mus musculus (mouse))
BDBM50132717
PNG
(CHEMBL333149 | Isopropyl dodecylfluorophosphonate ...)
Show SMILES CCCCCCCCCCCCP(F)(=O)OC(C)C
Show InChI InChI=1S/C15H32FO2P/c1-4-5-6-7-8-9-10-11-12-13-14-19(16,17)18-15(2)3/h15H,4-14H2,1-3H3
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n/an/a 0.800n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of MAGL-mediated 2-arachidonoylglycerol hydrolysis in mouse brain


Bioorg Med Chem Lett 18: 5875-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.007
BindingDB Entry DOI: 10.7270/Q2S75G4N
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Mus musculus (mouse))
BDBM50247008
PNG
(CHEMBL499569 | octane-1-sulfonyl fluoride)
Show SMILES CCCCCCCCS(F)(=O)=O
Show InChI InChI=1S/C8H17FO2S/c1-2-3-4-5-6-7-8-12(9,10)11/h2-8H2,1H3
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n/an/a 1.90n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of FAAH-mediated [3H]anadamide hydrolysis in mouse brain


Bioorg Med Chem Lett 18: 5875-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.007
BindingDB Entry DOI: 10.7270/Q2S75G4N
More data for this
Ligand-Target Pair
Cannabinoid receptor 1 (CB1R)


(Mus musculus (Mouse))
BDBM50132717
PNG
(CHEMBL333149 | Isopropyl dodecylfluorophosphonate ...)
Show SMILES CCCCCCCCCCCCP(F)(=O)OC(C)C
Show InChI InChI=1S/C15H32FO2P/c1-4-5-6-7-8-9-10-11-12-13-14-19(16,17)18-15(2)3/h15H,4-14H2,1-3H3
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n/an/a 2n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB1 receptor in mouse brain


Bioorg Med Chem Lett 18: 5875-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.007
BindingDB Entry DOI: 10.7270/Q2S75G4N
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Mus musculus (mouse))
BDBM50132715
PNG
(CHEMBL97038 | Dodecanesulfonyl fluoride | dodecane...)
Show SMILES CCCCCCCCCCCCS(F)(=O)=O
Show InChI InChI=1S/C12H25FO2S/c1-2-3-4-5-6-7-8-9-10-11-12-16(13,14)15/h2-12H2,1H3
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n/an/a 2n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of FAAH-mediated [3H]anadamide hydrolysis in mouse brain


Bioorg Med Chem Lett 18: 5875-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.007
BindingDB Entry DOI: 10.7270/Q2S75G4N
More data for this
Ligand-Target Pair
Monoglyceride Lipase (MGL)


(Mus musculus (mouse))
BDBM50247048
PNG
(CHEMBL462609 | methyl icosylphosphonofluoridate)
Show SMILES CCCCCCCCCCCCCCCCCCCCP(F)(=O)OC
Show InChI InChI=1S/C21H44FO2P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(22,23)24-2/h3-21H2,1-2H3
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n/an/a 2.20n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of MAGL-mediated 2-arachidonoylglycerol hydrolysis in mouse brain


Bioorg Med Chem Lett 18: 5875-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.007
BindingDB Entry DOI: 10.7270/Q2S75G4N
More data for this
Ligand-Target Pair
Cannabinoid receptor 1 (CB1R)


(Mus musculus (Mouse))
BDBM50247086
PNG
(CHEMBL444970 | Chlorphrifos oxon | diethyl 3,5,6-t...)
Show SMILES CCOP(=O)(OCC)Oc1nc(Cl)c(Cl)cc1Cl
Show InChI InChI=1S/C9H11Cl3NO4P/c1-3-15-18(14,16-4-2)17-9-7(11)5-6(10)8(12)13-9/h5H,3-4H2,1-2H3
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n/an/a 3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from mouse CB1 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 18: 5875-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.007
BindingDB Entry DOI: 10.7270/Q2S75G4N
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Mus musculus (mouse))
BDBM50132717
PNG
(CHEMBL333149 | Isopropyl dodecylfluorophosphonate ...)
Show SMILES CCCCCCCCCCCCP(F)(=O)OC(C)C
Show InChI InChI=1S/C15H32FO2P/c1-4-5-6-7-8-9-10-11-12-13-14-19(16,17)18-15(2)3/h15H,4-14H2,1-3H3
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n/an/a 3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of FAAH-mediated [3H]anadamide hydrolysis in mouse brain


Bioorg Med Chem Lett 18: 5875-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.007
BindingDB Entry DOI: 10.7270/Q2S75G4N
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Mus musculus (mouse))
BDBM50247051
PNG
(CHEMBL512224 | isopropyl 4-nitrophenyl dodecylphos...)
Show SMILES CCCCCCCCCCCCP(=O)(OC(C)C)Oc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C21H36NO5P/c1-4-5-6-7-8-9-10-11-12-13-18-28(25,26-19(2)3)27-21-16-14-20(15-17-21)22(23)24/h14-17,19H,4-13,18H2,1-3H3
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University of California

Curated by ChEMBL


Assay Description
Inhibition of FAAH-mediated [3H]anadamide hydrolysis in mouse brain


Bioorg Med Chem Lett 18: 5875-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.007
BindingDB Entry DOI: 10.7270/Q2S75G4N
More data for this
Ligand-Target Pair
Cannabinoid receptor 1 (CB1R)


(Mus musculus (Mouse))
BDBM50247050
PNG
(4-cyanophenyl ethyl dodecylphosphonate | CHEMBL462...)
Show SMILES CCCCCCCCCCCCP(=O)(OCC)Oc1ccc(cc1)C#N
Show InChI InChI=1S/C21H34NO3P/c1-3-5-6-7-8-9-10-11-12-13-18-26(23,24-4-2)25-21-16-14-20(19-22)15-17-21/h14-17H,3-13,18H2,1-2H3
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n/an/a 4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB1 receptor in mouse brain


Bioorg Med Chem Lett 18: 5875-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.007
BindingDB Entry DOI: 10.7270/Q2S75G4N
More data for this
Ligand-Target Pair
Cannabinoid receptor 1 (CB1R)


(Mus musculus (Mouse))
BDBM50132715
PNG
(CHEMBL97038 | Dodecanesulfonyl fluoride | dodecane...)
Show SMILES CCCCCCCCCCCCS(F)(=O)=O
Show InChI InChI=1S/C12H25FO2S/c1-2-3-4-5-6-7-8-9-10-11-12-16(13,14)15/h2-12H2,1H3
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n/an/a 7n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB1 receptor in mouse brain


Bioorg Med Chem Lett 18: 5875-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.007
BindingDB Entry DOI: 10.7270/Q2S75G4N
More data for this
Ligand-Target Pair
Monoglyceride Lipase (MGL)


(Mus musculus (mouse))
BDBM50247086
PNG
(CHEMBL444970 | Chlorphrifos oxon | diethyl 3,5,6-t...)
Show SMILES CCOP(=O)(OCC)Oc1nc(Cl)c(Cl)cc1Cl
Show InChI InChI=1S/C9H11Cl3NO4P/c1-3-15-18(14,16-4-2)17-9-7(11)5-6(10)8(12)13-9/h5H,3-4H2,1-2H3
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n/an/a 10n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of MAGL-mediated 2-arachidonoylglycerol hydrolysis in mouse brain


Bioorg Med Chem Lett 18: 5875-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.007
BindingDB Entry DOI: 10.7270/Q2S75G4N
More data for this
Ligand-Target Pair
Cannabinoid receptor 1 (CB1R)


(Mus musculus (Mouse))
BDBM50247086
PNG
(CHEMBL444970 | Chlorphrifos oxon | diethyl 3,5,6-t...)
Show SMILES CCOP(=O)(OCC)Oc1nc(Cl)c(Cl)cc1Cl
Show InChI InChI=1S/C9H11Cl3NO4P/c1-3-15-18(14,16-4-2)17-9-7(11)5-6(10)8(12)13-9/h5H,3-4H2,1-2H3
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n/an/a 10n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB1 receptor in mouse brain


Bioorg Med Chem Lett 18: 5875-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.007
BindingDB Entry DOI: 10.7270/Q2S75G4N
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Mus musculus (mouse))
BDBM50247050
PNG
(4-cyanophenyl ethyl dodecylphosphonate | CHEMBL462...)
Show SMILES CCCCCCCCCCCCP(=O)(OCC)Oc1ccc(cc1)C#N
Show InChI InChI=1S/C21H34NO3P/c1-3-5-6-7-8-9-10-11-12-13-18-26(23,24-4-2)25-21-16-14-20(19-22)15-17-21/h14-17H,3-13,18H2,1-2H3
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University of California

Curated by ChEMBL


Assay Description
Inhibition of FAAH-mediated [3H]anadamide hydrolysis in mouse brain


Bioorg Med Chem Lett 18: 5875-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.007
BindingDB Entry DOI: 10.7270/Q2S75G4N
More data for this
Ligand-Target Pair
Cannabinoid receptor 1 (CB1R)


(Mus musculus (Mouse))
BDBM50247051
PNG
(CHEMBL512224 | isopropyl 4-nitrophenyl dodecylphos...)
Show SMILES CCCCCCCCCCCCP(=O)(OC(C)C)Oc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C21H36NO5P/c1-4-5-6-7-8-9-10-11-12-13-18-28(25,26-19(2)3)27-21-16-14-20(15-17-21)22(23)24/h14-17,19H,4-13,18H2,1-3H3
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n/an/a 12n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB1 receptor in mouse brain


Bioorg Med Chem Lett 18: 5875-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.007
BindingDB Entry DOI: 10.7270/Q2S75G4N
More data for this
Ligand-Target Pair
Cannabinoid receptor 1 (CB1R)


(Mus musculus (Mouse))
BDBM50247049
PNG
(CHEMBL462610 | ethyl 3,5,6-trichloropyridin-2-yl d...)
Show SMILES CCCCCCCCCCCCP(=O)(OCC)Oc1nc(Cl)c(Cl)cc1Cl
Show InChI InChI=1S/C19H31Cl3NO3P/c1-3-5-6-7-8-9-10-11-12-13-14-27(24,25-4-2)26-19-17(21)15-16(20)18(22)23-19/h15H,3-14H2,1-2H3
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n/an/a 14n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB1 receptor in mouse brain


Bioorg Med Chem Lett 18: 5875-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.007
BindingDB Entry DOI: 10.7270/Q2S75G4N
More data for this
Ligand-Target Pair
Cannabinoid receptor 1 (CB1R)


(Mus musculus (Mouse))
BDBM50247048
PNG
(CHEMBL462609 | methyl icosylphosphonofluoridate)
Show SMILES CCCCCCCCCCCCCCCCCCCCP(F)(=O)OC
Show InChI InChI=1S/C21H44FO2P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(22,23)24-2/h3-21H2,1-2H3
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n/an/a 20n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB1 receptor in mouse brain


Bioorg Med Chem Lett 18: 5875-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.007
BindingDB Entry DOI: 10.7270/Q2S75G4N
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Mus musculus (mouse))
BDBM50247086
PNG
(CHEMBL444970 | Chlorphrifos oxon | diethyl 3,5,6-t...)
Show SMILES CCOP(=O)(OCC)Oc1nc(Cl)c(Cl)cc1Cl
Show InChI InChI=1S/C9H11Cl3NO4P/c1-3-15-18(14,16-4-2)17-9-7(11)5-6(10)8(12)13-9/h5H,3-4H2,1-2H3
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n/an/a 40n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of FAAH-mediated [3H]anadamide hydrolysis in mouse brain


Bioorg Med Chem Lett 18: 5875-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.007
BindingDB Entry DOI: 10.7270/Q2S75G4N
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Mus musculus (mouse))
BDBM50247049
PNG
(CHEMBL462610 | ethyl 3,5,6-trichloropyridin-2-yl d...)
Show SMILES CCCCCCCCCCCCP(=O)(OCC)Oc1nc(Cl)c(Cl)cc1Cl
Show InChI InChI=1S/C19H31Cl3NO3P/c1-3-5-6-7-8-9-10-11-12-13-14-27(24,25-4-2)26-19-17(21)15-16(20)18(22)23-19/h15H,3-14H2,1-2H3
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n/an/a 42n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of FAAH-mediated [3H]anadamide hydrolysis in mouse brain


Bioorg Med Chem Lett 18: 5875-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.007
BindingDB Entry DOI: 10.7270/Q2S75G4N
More data for this
Ligand-Target Pair
Monoglyceride Lipase (MGL)


(Mus musculus (mouse))
BDBM50247050
PNG
(4-cyanophenyl ethyl dodecylphosphonate | CHEMBL462...)
Show SMILES CCCCCCCCCCCCP(=O)(OCC)Oc1ccc(cc1)C#N
Show InChI InChI=1S/C21H34NO3P/c1-3-5-6-7-8-9-10-11-12-13-18-26(23,24-4-2)25-21-16-14-20(19-22)15-17-21/h14-17H,3-13,18H2,1-2H3
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n/an/a 70n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of MAGL-mediated [14C]1-oleoylglycerol hydrolysis in mouse brain


Bioorg Med Chem Lett 18: 5875-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.007
BindingDB Entry DOI: 10.7270/Q2S75G4N
More data for this
Ligand-Target Pair
Monoglyceride Lipase (MGL)


(Mus musculus (mouse))
BDBM50247008
PNG
(CHEMBL499569 | octane-1-sulfonyl fluoride)
Show SMILES CCCCCCCCS(F)(=O)=O
Show InChI InChI=1S/C8H17FO2S/c1-2-3-4-5-6-7-8-12(9,10)11/h2-8H2,1H3
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n/an/a 140n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of MAGL-mediated 2-arachidonoylglycerol hydrolysis in mouse brain


Bioorg Med Chem Lett 18: 5875-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.007
BindingDB Entry DOI: 10.7270/Q2S75G4N
More data for this
Ligand-Target Pair
Monoglyceride Lipase (MGL)


(Mus musculus (mouse))
BDBM50132715
PNG
(CHEMBL97038 | Dodecanesulfonyl fluoride | dodecane...)
Show SMILES CCCCCCCCCCCCS(F)(=O)=O
Show InChI InChI=1S/C12H25FO2S/c1-2-3-4-5-6-7-8-9-10-11-12-16(13,14)15/h2-12H2,1H3
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n/an/a 200n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of MAGL-mediated 2-arachidonoylglycerol hydrolysis in mouse brain


Bioorg Med Chem Lett 18: 5875-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.007
BindingDB Entry DOI: 10.7270/Q2S75G4N
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Mus musculus (mouse))
BDBM50240416
PNG
(CHEMBL23838 | O,O-diethyl O-p-nitrophenyl phosphat...)
Show SMILES CCOP(=O)(OCC)Oc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C10H14NO6P/c1-3-15-18(14,16-4-2)17-10-7-5-9(6-8-10)11(12)13/h5-8H,3-4H2,1-2H3
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n/an/a 540n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of FAAH-mediated [3H]anadamide hydrolysis in mouse brain


Bioorg Med Chem Lett 18: 5875-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.007
BindingDB Entry DOI: 10.7270/Q2S75G4N
More data for this
Ligand-Target Pair
Cannabinoid receptor 1 (CB1R)


(Mus musculus (Mouse))
BDBM50240416
PNG
(CHEMBL23838 | O,O-diethyl O-p-nitrophenyl phosphat...)
Show SMILES CCOP(=O)(OCC)Oc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C10H14NO6P/c1-3-15-18(14,16-4-2)17-10-7-5-9(6-8-10)11(12)13/h5-8H,3-4H2,1-2H3
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n/an/a 1.20E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB1 receptor in mouse brain


Bioorg Med Chem Lett 18: 5875-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.007
BindingDB Entry DOI: 10.7270/Q2S75G4N
More data for this
Ligand-Target Pair
Cannabinoid receptor 1 (CB1R)


(Mus musculus (Mouse))
BDBM50247008
PNG
(CHEMBL499569 | octane-1-sulfonyl fluoride)
Show SMILES CCCCCCCCS(F)(=O)=O
Show InChI InChI=1S/C8H17FO2S/c1-2-3-4-5-6-7-8-12(9,10)11/h2-8H2,1H3
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n/an/a 1.30E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB1 receptor in mouse brain


Bioorg Med Chem Lett 18: 5875-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.007
BindingDB Entry DOI: 10.7270/Q2S75G4N
More data for this
Ligand-Target Pair
Monoglyceride Lipase (MGL)


(Mus musculus (mouse))
BDBM50240416
PNG
(CHEMBL23838 | O,O-diethyl O-p-nitrophenyl phosphat...)
Show SMILES CCOP(=O)(OCC)Oc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C10H14NO6P/c1-3-15-18(14,16-4-2)17-10-7-5-9(6-8-10)11(12)13/h5-8H,3-4H2,1-2H3
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n/an/a 2.30E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of MAGL-mediated 2-arachidonoylglycerol hydrolysis in mouse brain


Bioorg Med Chem Lett 18: 5875-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.007
BindingDB Entry DOI: 10.7270/Q2S75G4N
More data for this
Ligand-Target Pair
Cannabinoid receptor 1 (CB1R)


(Mus musculus (Mouse))
BDBM50247086
PNG
(CHEMBL444970 | Chlorphrifos oxon | diethyl 3,5,6-t...)
Show SMILES CCOP(=O)(OCC)Oc1nc(Cl)c(Cl)cc1Cl
Show InChI InChI=1S/C9H11Cl3NO4P/c1-3-15-18(14,16-4-2)17-9-7(11)5-6(10)8(12)13-9/h5H,3-4H2,1-2H3
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n/an/a 2.50E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from mouse CB1 receptor expressed in HEK293 cells in presence of mouse brain membrane


Bioorg Med Chem Lett 18: 5875-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.007
BindingDB Entry DOI: 10.7270/Q2S75G4N
More data for this
Ligand-Target Pair
Cannabinoid receptor 1 (CB1R)


(Mus musculus (Mouse))
BDBM50132717
PNG
(CHEMBL333149 | Isopropyl dodecylfluorophosphonate ...)
Show SMILES CCCCCCCCCCCCP(F)(=O)OC(C)C
Show InChI InChI=1S/C15H32FO2P/c1-4-5-6-7-8-9-10-11-12-13-14-19(16,17)18-15(2)3/h15H,4-14H2,1-3H3
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n/an/an/an/a 500n/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Agonist activity at CB1 receptor in mouse brain membrane assessed as stimulation of GTPgammaS binding


Bioorg Med Chem Lett 18: 5875-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.007
BindingDB Entry DOI: 10.7270/Q2S75G4N
More data for this
Ligand-Target Pair
Cannabinoid receptor 1 (CB1R)


(Mus musculus (Mouse))
BDBM50247086
PNG
(CHEMBL444970 | Chlorphrifos oxon | diethyl 3,5,6-t...)
Show SMILES CCOP(=O)(OCC)Oc1nc(Cl)c(Cl)cc1Cl
Show InChI InChI=1S/C9H11Cl3NO4P/c1-3-15-18(14,16-4-2)17-9-7(11)5-6(10)8(12)13-9/h5H,3-4H2,1-2H3
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n/an/an/a 0.860n/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB1 receptor in mouse brain at 100 nM


Bioorg Med Chem Lett 18: 5875-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.007
BindingDB Entry DOI: 10.7270/Q2S75G4N
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%