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Compile Data Set for Download or QSAR

Found 105 hits with Last Name = 'adibekian' and Initial = 'a'   
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
Anandamide amidohydrolase


(Mus musculus (mouse))
BDBM50307081
PNG
(4-Nitrophenyl 4-((5-(2-(Trifluoromethoxy)phenyl)fu...)
Show SMILES [O-][N+](=O)c1ccc(OC(=O)N2CCN(Cc3ccc(o3)-c3ccccc3OC(F)(F)F)CC2)cc1
Show InChI InChI=1S/C23H20F3N3O6/c24-23(25,26)35-21-4-2-1-3-19(21)20-10-9-18(33-20)15-27-11-13-28(14-12-27)22(30)34-17-7-5-16(6-8-17)29(31)32/h1-10H,11-15H2
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n/an/a 5n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of FAAH in mouse brain membrane


J Med Chem 53: 1830-42 (2010)


Article DOI: 10.1021/jm9016976
BindingDB Entry DOI: 10.7270/Q2KH0NFR
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Mus musculus (mouse))
BDBM50307082
PNG
(4-Nitrophenyl 4-(3-(3-(Trifluoromethyl)phenoxy)ben...)
Show SMILES [O-][N+](=O)c1ccc(OC(=O)N2CCN(Cc3cccc(Oc4cccc(c4)C(F)(F)F)c3)CC2)cc1
Show InChI InChI=1S/C25H22F3N3O5/c26-25(27,28)19-4-2-6-23(16-19)35-22-5-1-3-18(15-22)17-29-11-13-30(14-12-29)24(32)36-21-9-7-20(8-10-21)31(33)34/h1-10,15-16H,11-14,17H2
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n/an/a 5n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of FAAH in mouse brain membrane


J Med Chem 53: 1830-42 (2010)


Article DOI: 10.1021/jm9016976
BindingDB Entry DOI: 10.7270/Q2KH0NFR
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 10n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of MAGL in mouse brain membrane


J Med Chem 53: 1830-42 (2010)


Article DOI: 10.1021/jm9016976
BindingDB Entry DOI: 10.7270/Q2KH0NFR
More data for this
Ligand-Target Pair
Monoglyceride Lipase (MGL)


(Mus musculus (mouse))
BDBM50307065
PNG
(4-Nitrophenyl 4-((4-Phenylthiophen-2-yl)methyl)pip...)
Show SMILES [O-][N+](=O)c1ccc(OC(=O)N2CCN(Cc3cc(cs3)-c3ccccc3)CC2)cc1
Show InChI InChI=1S/C22H21N3O4S/c26-22(29-20-8-6-19(7-9-20)25(27)28)24-12-10-23(11-13-24)15-21-14-18(16-30-21)17-4-2-1-3-5-17/h1-9,14,16H,10-13,15H2
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The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of MAGL in mouse brain membrane


J Med Chem 53: 1830-42 (2010)


Article DOI: 10.1021/jm9016976
BindingDB Entry DOI: 10.7270/Q2KH0NFR
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Mus musculus (mouse))
BDBM50307083
PNG
(4-nitrophenyl 4-(3-phenoxybenzyl)piperazine-1-carb...)
Show SMILES [O-][N+](=O)c1ccc(OC(=O)N2CCN(Cc3cccc(Oc4ccccc4)c3)CC2)cc1
Show InChI InChI=1S/C24H23N3O5/c28-24(32-22-11-9-20(10-12-22)27(29)30)26-15-13-25(14-16-26)18-19-5-4-8-23(17-19)31-21-6-2-1-3-7-21/h1-12,17H,13-16,18H2
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The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of FAAH in mouse brain membrane


J Med Chem 53: 1830-42 (2010)


Article DOI: 10.1021/jm9016976
BindingDB Entry DOI: 10.7270/Q2KH0NFR
More data for this
Ligand-Target Pair
Monoglyceride Lipase (MGL)


(Mus musculus (mouse))
BDBM50307072
PNG
(4-Nitrophenyl 4-(Biphenyl-4-ylmethyl)piperazine-1-...)
Show SMILES [O-][N+](=O)c1ccc(OC(=O)N2CCN(Cc3ccc(cc3)-c3ccccc3)CC2)cc1
Show InChI InChI=1S/C24H23N3O4/c28-24(31-23-12-10-22(11-13-23)27(29)30)26-16-14-25(15-17-26)18-19-6-8-21(9-7-19)20-4-2-1-3-5-20/h1-13H,14-18H2
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The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of MAGL in mouse brain membrane


J Med Chem 53: 1830-42 (2010)


Article DOI: 10.1021/jm9016976
BindingDB Entry DOI: 10.7270/Q2KH0NFR
More data for this
Ligand-Target Pair
Monoglyceride Lipase (MGL)


(Mus musculus (mouse))
BDBM50307083
PNG
(4-nitrophenyl 4-(3-phenoxybenzyl)piperazine-1-carb...)
Show SMILES [O-][N+](=O)c1ccc(OC(=O)N2CCN(Cc3cccc(Oc4ccccc4)c3)CC2)cc1
Show InChI InChI=1S/C24H23N3O5/c28-24(32-22-11-9-20(10-12-22)27(29)30)26-15-13-25(14-16-26)18-19-5-4-8-23(17-19)31-21-6-2-1-3-7-21/h1-12,17H,13-16,18H2
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The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of MAGL in mouse brain membrane


J Med Chem 53: 1830-42 (2010)


Article DOI: 10.1021/jm9016976
BindingDB Entry DOI: 10.7270/Q2KH0NFR
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Mus musculus (mouse))
BDBM50307084
PNG
(4-Nitrophenyl 4-((5-Phenylfuran-2-yl)methyl)pipera...)
Show SMILES [O-][N+](=O)c1ccc(OC(=O)N2CCN(Cc3ccc(o3)-c3ccccc3)CC2)cc1
Show InChI InChI=1S/C22H21N3O5/c26-22(30-19-8-6-18(7-9-19)25(27)28)24-14-12-23(13-15-24)16-20-10-11-21(29-20)17-4-2-1-3-5-17/h1-11H,12-16H2
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The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of FAAH in mouse brain membrane


J Med Chem 53: 1830-42 (2010)


Article DOI: 10.1021/jm9016976
BindingDB Entry DOI: 10.7270/Q2KH0NFR
More data for this
Ligand-Target Pair
Monoglyceride Lipase (MGL)


(Mus musculus (mouse))
BDBM50307073
PNG
(4-nitrophenyl 4-(hydroxybis(4-methoxyphenyl)methyl...)
Show SMILES COc1ccc(cc1)C(O)(C1CCN(CC1)C(=O)Oc1ccc(cc1)[N+]([O-])=O)c1ccc(OC)cc1
Show InChI InChI=1S/C27H28N2O7/c1-34-23-9-3-19(4-10-23)27(31,20-5-11-24(35-2)12-6-20)21-15-17-28(18-16-21)26(30)36-25-13-7-22(8-14-25)29(32)33/h3-14,21,31H,15-18H2,1-2H3
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The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of MAGL in mouse brain membrane


J Med Chem 53: 1830-42 (2010)


Article DOI: 10.1021/jm9016976
BindingDB Entry DOI: 10.7270/Q2KH0NFR
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Mus musculus (mouse))
BDBM50307086
PNG
(4-Nitrophenyl 4-(3-(Pyridin-2-yloxy)benzyl)piperaz...)
Show SMILES [O-][N+](=O)c1ccc(OC(=O)N2CCN(Cc3cccc(Oc4ccccn4)c3)CC2)cc1
Show InChI InChI=1S/C23H22N4O5/c28-23(32-20-9-7-19(8-10-20)27(29)30)26-14-12-25(13-15-26)17-18-4-3-5-21(16-18)31-22-6-1-2-11-24-22/h1-11,16H,12-15,17H2
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The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of FAAH in mouse brain membrane


J Med Chem 53: 1830-42 (2010)


Article DOI: 10.1021/jm9016976
BindingDB Entry DOI: 10.7270/Q2KH0NFR
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Mus musculus (mouse))
BDBM50307085
PNG
(4-Nitrophenyl 4-((5-Phenylthiophen-2-yl)methyl)pip...)
Show SMILES [O-][N+](=O)c1ccc(OC(=O)N2CCN(Cc3ccc(s3)-c3ccccc3)CC2)cc1
Show InChI InChI=1S/C22H21N3O4S/c26-22(29-19-8-6-18(7-9-19)25(27)28)24-14-12-23(13-15-24)16-20-10-11-21(30-20)17-4-2-1-3-5-17/h1-11H,12-16H2
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The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of FAAH in mouse brain membrane


J Med Chem 53: 1830-42 (2010)


Article DOI: 10.1021/jm9016976
BindingDB Entry DOI: 10.7270/Q2KH0NFR
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Mus musculus (mouse))
BDBM50307069
PNG
(4-Nitrophenyl 4-(3-(p-Tolyloxy)benzyl)piperazine-1...)
Show SMILES Cc1ccc(Oc2cccc(CN3CCN(CC3)C(=O)Oc3ccc(cc3)[N+]([O-])=O)c2)cc1
Show InChI InChI=1S/C25H25N3O5/c1-19-5-9-22(10-6-19)32-24-4-2-3-20(17-24)18-26-13-15-27(16-14-26)25(29)33-23-11-7-21(8-12-23)28(30)31/h2-12,17H,13-16,18H2,1H3
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The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of FAAH in mouse brain membrane


J Med Chem 53: 1830-42 (2010)


Article DOI: 10.1021/jm9016976
BindingDB Entry DOI: 10.7270/Q2KH0NFR
More data for this
Ligand-Target Pair
Abhydrolase Domain-Containing Protein 6


(Mus musculus (mouse))
BDBM50307083
PNG
(4-nitrophenyl 4-(3-phenoxybenzyl)piperazine-1-carb...)
Show SMILES [O-][N+](=O)c1ccc(OC(=O)N2CCN(Cc3cccc(Oc4ccccc4)c3)CC2)cc1
Show InChI InChI=1S/C24H23N3O5/c28-24(32-22-11-9-20(10-12-22)27(29)30)26-15-13-25(14-16-26)18-19-5-4-8-23(17-19)31-21-6-2-1-3-7-21/h1-12,17H,13-16,18H2
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The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ABHD6 in mouse brain membrane


J Med Chem 53: 1830-42 (2010)


Article DOI: 10.1021/jm9016976
BindingDB Entry DOI: 10.7270/Q2KH0NFR
More data for this
Ligand-Target Pair
Monoglyceride Lipase (MGL)


(Mus musculus (mouse))
BDBM50307086
PNG
(4-Nitrophenyl 4-(3-(Pyridin-2-yloxy)benzyl)piperaz...)
Show SMILES [O-][N+](=O)c1ccc(OC(=O)N2CCN(Cc3cccc(Oc4ccccn4)c3)CC2)cc1
Show InChI InChI=1S/C23H22N4O5/c28-23(32-20-9-7-19(8-10-20)27(29)30)26-14-12-25(13-15-26)17-18-4-3-5-21(16-18)31-22-6-1-2-11-24-22/h1-11,16H,12-15,17H2
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The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of MAGL in mouse brain membrane


J Med Chem 53: 1830-42 (2010)


Article DOI: 10.1021/jm9016976
BindingDB Entry DOI: 10.7270/Q2KH0NFR
More data for this
Ligand-Target Pair
Monoglyceride Lipase (MGL)


(Mus musculus (mouse))
BDBM50307085
PNG
(4-Nitrophenyl 4-((5-Phenylthiophen-2-yl)methyl)pip...)
Show SMILES [O-][N+](=O)c1ccc(OC(=O)N2CCN(Cc3ccc(s3)-c3ccccc3)CC2)cc1
Show InChI InChI=1S/C22H21N3O4S/c26-22(29-19-8-6-18(7-9-19)25(27)28)24-14-12-23(13-15-24)16-20-10-11-21(30-20)17-4-2-1-3-5-17/h1-11H,12-16H2
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The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of MAGL in mouse brain membrane


J Med Chem 53: 1830-42 (2010)


Article DOI: 10.1021/jm9016976
BindingDB Entry DOI: 10.7270/Q2KH0NFR
More data for this
Ligand-Target Pair
Abhydrolase Domain-Containing Protein 6


(Mus musculus (mouse))
BDBM50307086
PNG
(4-Nitrophenyl 4-(3-(Pyridin-2-yloxy)benzyl)piperaz...)
Show SMILES [O-][N+](=O)c1ccc(OC(=O)N2CCN(Cc3cccc(Oc4ccccn4)c3)CC2)cc1
Show InChI InChI=1S/C23H22N4O5/c28-23(32-20-9-7-19(8-10-20)27(29)30)26-14-12-25(13-15-26)17-18-4-3-5-21(16-18)31-22-6-1-2-11-24-22/h1-11,16H,12-15,17H2
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The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ABHD6 in mouse brain membrane


J Med Chem 53: 1830-42 (2010)


Article DOI: 10.1021/jm9016976
BindingDB Entry DOI: 10.7270/Q2KH0NFR
More data for this
Ligand-Target Pair
Monoglyceride Lipase (MGL)


(Mus musculus (mouse))
BDBM50307087
PNG
(4-Nitrophenyl 4-(Naphthalen-2-ylmethyl)piperazine-...)
Show SMILES [O-][N+](=O)c1ccc(OC(=O)N2CCN(Cc3ccc4ccccc4c3)CC2)cc1
Show InChI InChI=1S/C22H21N3O4/c26-22(29-21-9-7-20(8-10-21)25(27)28)24-13-11-23(12-14-24)16-17-5-6-18-3-1-2-4-19(18)15-17/h1-10,15H,11-14,16H2
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The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of MAGL in mouse brain membrane


J Med Chem 53: 1830-42 (2010)


Article DOI: 10.1021/jm9016976
BindingDB Entry DOI: 10.7270/Q2KH0NFR
More data for this
Ligand-Target Pair
Monoglyceride Lipase (MGL)


(Mus musculus (mouse))
BDBM50307081
PNG
(4-Nitrophenyl 4-((5-(2-(Trifluoromethoxy)phenyl)fu...)
Show SMILES [O-][N+](=O)c1ccc(OC(=O)N2CCN(Cc3ccc(o3)-c3ccccc3OC(F)(F)F)CC2)cc1
Show InChI InChI=1S/C23H20F3N3O6/c24-23(25,26)35-21-4-2-1-3-19(21)20-10-9-18(33-20)15-27-11-13-28(14-12-27)22(30)34-17-7-5-16(6-8-17)29(31)32/h1-10H,11-15H2
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The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of MAGL in mouse brain membrane


J Med Chem 53: 1830-42 (2010)


Article DOI: 10.1021/jm9016976
BindingDB Entry DOI: 10.7270/Q2KH0NFR
More data for this
Ligand-Target Pair
Monoglyceride Lipase (MGL)


(Mus musculus (mouse))
BDBM50307061
PNG
(4-Nitrophenyl 4-(Hydroxybis(4-methoxyphenyl)methyl...)
Show SMILES COc1ccc(cc1)C(C1CCN(CC1)C(=O)Oc1ccc(cc1)[N+]([O-])=O)c1ccc(OC)cc1
Show InChI InChI=1S/C27H28N2O6/c1-33-23-9-3-19(4-10-23)26(20-5-11-24(34-2)12-6-20)21-15-17-28(18-16-21)27(30)35-25-13-7-22(8-14-25)29(31)32/h3-14,21,26H,15-18H2,1-2H3
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n/an/a 73n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of MAGL in mouse brain membrane


J Med Chem 53: 1830-42 (2010)


Article DOI: 10.1021/jm9016976
BindingDB Entry DOI: 10.7270/Q2KH0NFR
More data for this
Ligand-Target Pair
Monoglyceride Lipase (MGL)


(Mus musculus (mouse))
BDBM50307060
PNG
(4-Nitrophenyl 4-(Quinolin-2-ylmethyl)piperazine-1-...)
Show SMILES [O-][N+](=O)c1ccc(OC(=O)N2CCN(Cc3ccc4ccccc4n3)CC2)cc1
Show InChI InChI=1S/C21H20N4O4/c26-21(29-19-9-7-18(8-10-19)25(27)28)24-13-11-23(12-14-24)15-17-6-5-16-3-1-2-4-20(16)22-17/h1-10H,11-15H2
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The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of MAGL in mouse brain membrane


J Med Chem 53: 1830-42 (2010)


Article DOI: 10.1021/jm9016976
BindingDB Entry DOI: 10.7270/Q2KH0NFR
More data for this
Ligand-Target Pair
Monoglyceride Lipase (MGL)


(Mus musculus (mouse))
BDBM50307089
PNG
(4-Nitrophenyl 4-(4-(Benzyloxy)-2-methoxybenzyl)pip...)
Show SMILES COc1cc(OCc2ccccc2)ccc1CN1CCN(CC1)C(=O)Oc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C26H27N3O6/c1-33-25-17-24(34-19-20-5-3-2-4-6-20)10-7-21(25)18-27-13-15-28(16-14-27)26(30)35-23-11-8-22(9-12-23)29(31)32/h2-12,17H,13-16,18-19H2,1H3
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n/an/a 90n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of MAGL in mouse brain membrane


J Med Chem 53: 1830-42 (2010)


Article DOI: 10.1021/jm9016976
BindingDB Entry DOI: 10.7270/Q2KH0NFR
More data for this
Ligand-Target Pair
Monoglyceride Lipase (MGL)


(Mus musculus (mouse))
BDBM50307084
PNG
(4-Nitrophenyl 4-((5-Phenylfuran-2-yl)methyl)pipera...)
Show SMILES [O-][N+](=O)c1ccc(OC(=O)N2CCN(Cc3ccc(o3)-c3ccccc3)CC2)cc1
Show InChI InChI=1S/C22H21N3O5/c26-22(30-19-8-6-18(7-9-19)25(27)28)24-14-12-23(13-15-24)16-20-10-11-21(29-20)17-4-2-1-3-5-17/h1-11H,12-16H2
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n/an/a 90n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of MAGL in mouse brain membrane


J Med Chem 53: 1830-42 (2010)


Article DOI: 10.1021/jm9016976
BindingDB Entry DOI: 10.7270/Q2KH0NFR
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Mus musculus (mouse))
BDBM50307059
PNG
(4-Nitrophenyl 4-(3-(4-Methoxyphenoxy)benzyl)pipera...)
Show SMILES COc1ccc(Oc2cccc(CN3CCN(CC3)C(=O)Oc3ccc(cc3)[N+]([O-])=O)c2)cc1
Show InChI InChI=1S/C25H25N3O6/c1-32-21-9-11-22(12-10-21)33-24-4-2-3-19(17-24)18-26-13-15-27(16-14-26)25(29)34-23-7-5-20(6-8-23)28(30)31/h2-12,17H,13-16,18H2,1H3
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n/an/a 90n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of FAAH in mouse brain membrane


J Med Chem 53: 1830-42 (2010)


Article DOI: 10.1021/jm9016976
BindingDB Entry DOI: 10.7270/Q2KH0NFR
More data for this
Ligand-Target Pair
Monoglyceride Lipase (MGL)


(Mus musculus (mouse))
BDBM50307088
PNG
(4-Nitrophenyl 4-(5-Bromo-2-hydroxybenzyl)piperazin...)
Show SMILES Oc1ccc(Br)cc1CN1CCN(CC1)C(=O)Oc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C18H18BrN3O5/c19-14-1-6-17(23)13(11-14)12-20-7-9-21(10-8-20)18(24)27-16-4-2-15(3-5-16)22(25)26/h1-6,11,23H,7-10,12H2
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n/an/a 90n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of MAGL in mouse brain membrane


J Med Chem 53: 1830-42 (2010)


Article DOI: 10.1021/jm9016976
BindingDB Entry DOI: 10.7270/Q2KH0NFR
More data for this
Ligand-Target Pair
Monoglyceride Lipase (MGL)


(Mus musculus (mouse))
BDBM50307059
PNG
(4-Nitrophenyl 4-(3-(4-Methoxyphenoxy)benzyl)pipera...)
Show SMILES COc1ccc(Oc2cccc(CN3CCN(CC3)C(=O)Oc3ccc(cc3)[N+]([O-])=O)c2)cc1
Show InChI InChI=1S/C25H25N3O6/c1-32-21-9-11-22(12-10-21)33-24-4-2-3-19(17-24)18-26-13-15-27(16-14-26)25(29)34-23-7-5-20(6-8-23)28(30)31/h2-12,17H,13-16,18H2,1H3
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n/an/a 130n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of MAGL in mouse brain membrane


J Med Chem 53: 1830-42 (2010)


Article DOI: 10.1021/jm9016976
BindingDB Entry DOI: 10.7270/Q2KH0NFR
More data for this
Ligand-Target Pair
Abhydrolase Domain-Containing Protein 6


(Mus musculus (mouse))
BDBM50307088
PNG
(4-Nitrophenyl 4-(5-Bromo-2-hydroxybenzyl)piperazin...)
Show SMILES Oc1ccc(Br)cc1CN1CCN(CC1)C(=O)Oc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C18H18BrN3O5/c19-14-1-6-17(23)13(11-14)12-20-7-9-21(10-8-20)18(24)27-16-4-2-15(3-5-16)22(25)26/h1-6,11,23H,7-10,12H2
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n/an/a 130n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ABHD6 in mouse brain membrane


J Med Chem 53: 1830-42 (2010)


Article DOI: 10.1021/jm9016976
BindingDB Entry DOI: 10.7270/Q2KH0NFR
More data for this
Ligand-Target Pair
Abhydrolase Domain-Containing Protein 6


(Mus musculus (mouse))
BDBM50307087
PNG
(4-Nitrophenyl 4-(Naphthalen-2-ylmethyl)piperazine-...)
Show SMILES [O-][N+](=O)c1ccc(OC(=O)N2CCN(Cc3ccc4ccccc4c3)CC2)cc1
Show InChI InChI=1S/C22H21N3O4/c26-22(29-21-9-7-20(8-10-21)25(27)28)24-13-11-23(12-14-24)16-17-5-6-18-3-1-2-4-19(18)15-17/h1-10,15H,11-14,16H2
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n/an/a 150n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ABHD6 in mouse brain membrane


J Med Chem 53: 1830-42 (2010)


Article DOI: 10.1021/jm9016976
BindingDB Entry DOI: 10.7270/Q2KH0NFR
More data for this
Ligand-Target Pair
Abhydrolase Domain-Containing Protein 6


(Mus musculus (mouse))
BDBM50307090
PNG
(4-Nitrophenyl 4-(Bis(4-chlorophenyl)(hydroxy)methy...)
Show SMILES OC(C1CCN(CC1)C(=O)Oc1ccc(cc1)[N+]([O-])=O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C25H22Cl2N2O5/c26-20-5-1-17(2-6-20)25(31,18-3-7-21(27)8-4-18)19-13-15-28(16-14-19)24(30)34-23-11-9-22(10-12-23)29(32)33/h1-12,19,31H,13-16H2
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n/an/a 180n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ABHD6 in mouse brain membrane


J Med Chem 53: 1830-42 (2010)


Article DOI: 10.1021/jm9016976
BindingDB Entry DOI: 10.7270/Q2KH0NFR
More data for this
Ligand-Target Pair
Abhydrolase Domain-Containing Protein 6


(Mus musculus (mouse))
BDBM50307081
PNG
(4-Nitrophenyl 4-((5-(2-(Trifluoromethoxy)phenyl)fu...)
Show SMILES [O-][N+](=O)c1ccc(OC(=O)N2CCN(Cc3ccc(o3)-c3ccccc3OC(F)(F)F)CC2)cc1
Show InChI InChI=1S/C23H20F3N3O6/c24-23(25,26)35-21-4-2-1-3-19(21)20-10-9-18(33-20)15-27-11-13-28(14-12-27)22(30)34-17-7-5-16(6-8-17)29(31)32/h1-10H,11-15H2
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n/an/a 180n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ABHD6 in mouse brain membrane


J Med Chem 53: 1830-42 (2010)


Article DOI: 10.1021/jm9016976
BindingDB Entry DOI: 10.7270/Q2KH0NFR
More data for this
Ligand-Target Pair
Monoglyceride Lipase (MGL)


(Mus musculus (mouse))
BDBM50307091
PNG
(4-Nitrophenyl 2,2-Diphenyl-1-oxa-6-azaspiro[2.5]oc...)
Show SMILES [O-][N+](=O)c1ccc(OC(=O)N2CCC3(CC2)OC3(c2ccccc2)c2ccccc2)cc1
Show InChI InChI=1S/C25H22N2O5/c28-23(31-22-13-11-21(12-14-22)27(29)30)26-17-15-24(16-18-26)25(32-24,19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-14H,15-18H2
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n/an/a 200n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of MAGL in mouse brain membrane


J Med Chem 53: 1830-42 (2010)


Article DOI: 10.1021/jm9016976
BindingDB Entry DOI: 10.7270/Q2KH0NFR
More data for this
Ligand-Target Pair
Monoglyceride Lipase (MGL)


(Mus musculus (mouse))
BDBM50307064
PNG
(4-nitrophenyl 4-(bis(4-fluorophenyl)methyl)piperaz...)
Show SMILES [O-][N+](=O)c1ccc(OC(=O)N2CCN(CC2)C(c2ccc(F)cc2)c2ccc(F)cc2)cc1
Show InChI InChI=1S/C24H21F2N3O4/c25-19-5-1-17(2-6-19)23(18-3-7-20(26)8-4-18)27-13-15-28(16-14-27)24(30)33-22-11-9-21(10-12-22)29(31)32/h1-12,23H,13-16H2
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n/an/a 200n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of MAGL in mouse brain membrane


J Med Chem 53: 1830-42 (2010)


Article DOI: 10.1021/jm9016976
BindingDB Entry DOI: 10.7270/Q2KH0NFR
More data for this
Ligand-Target Pair
Abhydrolase Domain-Containing Protein 6


(Mus musculus (mouse))
BDBM50307084
PNG
(4-Nitrophenyl 4-((5-Phenylfuran-2-yl)methyl)pipera...)
Show SMILES [O-][N+](=O)c1ccc(OC(=O)N2CCN(Cc3ccc(o3)-c3ccccc3)CC2)cc1
Show InChI InChI=1S/C22H21N3O5/c26-22(30-19-8-6-18(7-9-19)25(27)28)24-14-12-23(13-15-24)16-20-10-11-21(29-20)17-4-2-1-3-5-17/h1-11H,12-16H2
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n/an/a 220n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ABHD6 in mouse brain membrane


J Med Chem 53: 1830-42 (2010)


Article DOI: 10.1021/jm9016976
BindingDB Entry DOI: 10.7270/Q2KH0NFR
More data for this
Ligand-Target Pair
Abhydrolase Domain-Containing Protein 6


(Mus musculus (mouse))
BDBM50307085
PNG
(4-Nitrophenyl 4-((5-Phenylthiophen-2-yl)methyl)pip...)
Show SMILES [O-][N+](=O)c1ccc(OC(=O)N2CCN(Cc3ccc(s3)-c3ccccc3)CC2)cc1
Show InChI InChI=1S/C22H21N3O4S/c26-22(29-19-8-6-18(7-9-19)25(27)28)24-14-12-23(13-15-24)16-20-10-11-21(30-20)17-4-2-1-3-5-17/h1-11H,12-16H2
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n/an/a 220n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ABHD6 in mouse brain membrane


J Med Chem 53: 1830-42 (2010)


Article DOI: 10.1021/jm9016976
BindingDB Entry DOI: 10.7270/Q2KH0NFR
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Mus musculus (mouse))
BDBM50307065
PNG
(4-Nitrophenyl 4-((4-Phenylthiophen-2-yl)methyl)pip...)
Show SMILES [O-][N+](=O)c1ccc(OC(=O)N2CCN(Cc3cc(cs3)-c3ccccc3)CC2)cc1
Show InChI InChI=1S/C22H21N3O4S/c26-22(29-20-8-6-19(7-9-20)25(27)28)24-12-10-23(11-13-24)15-21-14-18(16-30-21)17-4-2-1-3-5-17/h1-9,14,16H,10-13,15H2
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n/an/a 280n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of FAAH in mouse brain membrane


J Med Chem 53: 1830-42 (2010)


Article DOI: 10.1021/jm9016976
BindingDB Entry DOI: 10.7270/Q2KH0NFR
More data for this
Ligand-Target Pair
Monoglyceride Lipase (MGL)


(Mus musculus (mouse))
BDBM50307082
PNG
(4-Nitrophenyl 4-(3-(3-(Trifluoromethyl)phenoxy)ben...)
Show SMILES [O-][N+](=O)c1ccc(OC(=O)N2CCN(Cc3cccc(Oc4cccc(c4)C(F)(F)F)c3)CC2)cc1
Show InChI InChI=1S/C25H22F3N3O5/c26-25(27,28)19-4-2-6-23(16-19)35-22-5-1-3-18(15-22)17-29-11-13-30(14-12-29)24(32)36-21-9-7-20(8-10-21)31(33)34/h1-10,15-16H,11-14,17H2
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n/an/a 300n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of MAGL in mouse brain membrane


J Med Chem 53: 1830-42 (2010)


Article DOI: 10.1021/jm9016976
BindingDB Entry DOI: 10.7270/Q2KH0NFR
More data for this
Ligand-Target Pair
Abhydrolase Domain-Containing Protein 6


(Mus musculus (mouse))
BDBM50307089
PNG
(4-Nitrophenyl 4-(4-(Benzyloxy)-2-methoxybenzyl)pip...)
Show SMILES COc1cc(OCc2ccccc2)ccc1CN1CCN(CC1)C(=O)Oc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C26H27N3O6/c1-33-25-17-24(34-19-20-5-3-2-4-6-20)10-7-21(25)18-27-13-15-28(16-14-27)26(30)35-23-11-8-22(9-12-23)29(31)32/h2-12,17H,13-16,18-19H2,1H3
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n/an/a 310n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ABHD6 in mouse brain membrane


J Med Chem 53: 1830-42 (2010)


Article DOI: 10.1021/jm9016976
BindingDB Entry DOI: 10.7270/Q2KH0NFR
More data for this
Ligand-Target Pair
Abhydrolase Domain-Containing Protein 6


(Mus musculus (mouse))
BDBM50307082
PNG
(4-Nitrophenyl 4-(3-(3-(Trifluoromethyl)phenoxy)ben...)
Show SMILES [O-][N+](=O)c1ccc(OC(=O)N2CCN(Cc3cccc(Oc4cccc(c4)C(F)(F)F)c3)CC2)cc1
Show InChI InChI=1S/C25H22F3N3O5/c26-25(27,28)19-4-2-6-23(16-19)35-22-5-1-3-18(15-22)17-29-11-13-30(14-12-29)24(32)36-21-9-7-20(8-10-21)31(33)34/h1-10,15-16H,11-14,17H2
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n/an/a 320n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ABHD6 in mouse brain membrane


J Med Chem 53: 1830-42 (2010)


Article DOI: 10.1021/jm9016976
BindingDB Entry DOI: 10.7270/Q2KH0NFR
More data for this
Ligand-Target Pair
Abhydrolase Domain-Containing Protein 6


(Mus musculus (mouse))
BDBM50307091
PNG
(4-Nitrophenyl 2,2-Diphenyl-1-oxa-6-azaspiro[2.5]oc...)
Show SMILES [O-][N+](=O)c1ccc(OC(=O)N2CCC3(CC2)OC3(c2ccccc2)c2ccccc2)cc1
Show InChI InChI=1S/C25H22N2O5/c28-23(31-22-13-11-21(12-14-22)27(29)30)26-17-15-24(16-18-26)25(32-24,19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-14H,15-18H2
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n/an/a 380n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ABHD6 in mouse brain membrane


J Med Chem 53: 1830-42 (2010)


Article DOI: 10.1021/jm9016976
BindingDB Entry DOI: 10.7270/Q2KH0NFR
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Mus musculus (mouse))
BDBM50307087
PNG
(4-Nitrophenyl 4-(Naphthalen-2-ylmethyl)piperazine-...)
Show SMILES [O-][N+](=O)c1ccc(OC(=O)N2CCN(Cc3ccc4ccccc4c3)CC2)cc1
Show InChI InChI=1S/C22H21N3O4/c26-22(29-21-9-7-20(8-10-21)25(27)28)24-13-11-23(12-14-24)16-17-5-6-18-3-1-2-4-19(18)15-17/h1-10,15H,11-14,16H2
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n/an/a 380n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of FAAH in mouse brain membrane


J Med Chem 53: 1830-42 (2010)


Article DOI: 10.1021/jm9016976
BindingDB Entry DOI: 10.7270/Q2KH0NFR
More data for this
Ligand-Target Pair
Abhydrolase Domain-Containing Protein 6


(Mus musculus (mouse))
BDBM50307058
PNG
(4-Nitrophenyl 4-(Hydroxybis(3-methoxyphenyl)methyl...)
Show SMILES COc1cccc(c1)C(O)(C1CCN(CC1)C(=O)Oc1ccc(cc1)[N+]([O-])=O)c1cccc(OC)c1
Show InChI InChI=1S/C27H28N2O7/c1-34-24-7-3-5-20(17-24)27(31,21-6-4-8-25(18-21)35-2)19-13-15-28(16-14-19)26(30)36-23-11-9-22(10-12-23)29(32)33/h3-12,17-19,31H,13-16H2,1-2H3
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n/an/a 460n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ABHD6 in mouse brain membrane


J Med Chem 53: 1830-42 (2010)


Article DOI: 10.1021/jm9016976
BindingDB Entry DOI: 10.7270/Q2KH0NFR
More data for this
Ligand-Target Pair
Abhydrolase Domain-Containing Protein 6


(Mus musculus (mouse))
BDBM50307059
PNG
(4-Nitrophenyl 4-(3-(4-Methoxyphenoxy)benzyl)pipera...)
Show SMILES COc1ccc(Oc2cccc(CN3CCN(CC3)C(=O)Oc3ccc(cc3)[N+]([O-])=O)c2)cc1
Show InChI InChI=1S/C25H25N3O6/c1-32-21-9-11-22(12-10-21)33-24-4-2-3-19(17-24)18-26-13-15-27(16-14-26)25(29)34-23-7-5-20(6-8-23)28(30)31/h2-12,17H,13-16,18H2,1H3
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n/an/a 460n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ABHD6 in mouse brain membrane


J Med Chem 53: 1830-42 (2010)


Article DOI: 10.1021/jm9016976
BindingDB Entry DOI: 10.7270/Q2KH0NFR
More data for this
Ligand-Target Pair
Abhydrolase Domain-Containing Protein 6


(Mus musculus (mouse))
BDBM50307060
PNG
(4-Nitrophenyl 4-(Quinolin-2-ylmethyl)piperazine-1-...)
Show SMILES [O-][N+](=O)c1ccc(OC(=O)N2CCN(Cc3ccc4ccccc4n3)CC2)cc1
Show InChI InChI=1S/C21H20N4O4/c26-21(29-19-9-7-18(8-10-19)25(27)28)24-13-11-23(12-14-24)15-17-6-5-16-3-1-2-4-20(16)22-17/h1-10H,11-15H2
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n/an/a 490n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ABHD6 in mouse brain membrane


J Med Chem 53: 1830-42 (2010)


Article DOI: 10.1021/jm9016976
BindingDB Entry DOI: 10.7270/Q2KH0NFR
More data for this
Ligand-Target Pair
Monoglyceride Lipase (MGL)


(Mus musculus (mouse))
BDBM50307069
PNG
(4-Nitrophenyl 4-(3-(p-Tolyloxy)benzyl)piperazine-1...)
Show SMILES Cc1ccc(Oc2cccc(CN3CCN(CC3)C(=O)Oc3ccc(cc3)[N+]([O-])=O)c2)cc1
Show InChI InChI=1S/C25H25N3O5/c1-19-5-9-22(10-6-19)32-24-4-2-3-20(17-24)18-26-13-15-27(16-14-26)25(29)33-23-11-7-21(8-12-23)28(30)31/h2-12,17H,13-16,18H2,1H3
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n/an/a 500n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of MAGL in mouse brain membrane


J Med Chem 53: 1830-42 (2010)


Article DOI: 10.1021/jm9016976
BindingDB Entry DOI: 10.7270/Q2KH0NFR
More data for this
Ligand-Target Pair
Monoglyceride Lipase (MGL)


(Mus musculus (mouse))
BDBM50307068
PNG
(4-Nitrophenyl 4-(Hydroxybis(2-methoxyphenyl)methyl...)
Show SMILES COc1ccccc1C(O)(C1CCN(CC1)C(=O)Oc1ccc(cc1)[N+]([O-])=O)c1ccccc1OC
Show InChI InChI=1S/C27H28N2O7/c1-34-24-9-5-3-7-22(24)27(31,23-8-4-6-10-25(23)35-2)19-15-17-28(18-16-19)26(30)36-21-13-11-20(12-14-21)29(32)33/h3-14,19,31H,15-18H2,1-2H3
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n/an/a 510n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of MAGL in mouse brain membrane


J Med Chem 53: 1830-42 (2010)


Article DOI: 10.1021/jm9016976
BindingDB Entry DOI: 10.7270/Q2KH0NFR
More data for this
Ligand-Target Pair
Abhydrolase Domain-Containing Protein 6


(Mus musculus (mouse))
BDBM50307061
PNG
(4-Nitrophenyl 4-(Hydroxybis(4-methoxyphenyl)methyl...)
Show SMILES COc1ccc(cc1)C(C1CCN(CC1)C(=O)Oc1ccc(cc1)[N+]([O-])=O)c1ccc(OC)cc1
Show InChI InChI=1S/C27H28N2O6/c1-33-23-9-3-19(4-10-23)26(20-5-11-24(34-2)12-6-20)21-15-17-28(18-16-21)27(30)35-25-13-7-22(8-14-25)29(31)32/h3-14,21,26H,15-18H2,1-2H3
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n/an/a 550n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ABHD6 in mouse brain membrane


J Med Chem 53: 1830-42 (2010)


Article DOI: 10.1021/jm9016976
BindingDB Entry DOI: 10.7270/Q2KH0NFR
More data for this
Ligand-Target Pair
Monoglyceride Lipase (MGL)


(Mus musculus (mouse))
BDBM50307058
PNG
(4-Nitrophenyl 4-(Hydroxybis(3-methoxyphenyl)methyl...)
Show SMILES COc1cccc(c1)C(O)(C1CCN(CC1)C(=O)Oc1ccc(cc1)[N+]([O-])=O)c1cccc(OC)c1
Show InChI InChI=1S/C27H28N2O7/c1-34-24-7-3-5-20(17-24)27(31,21-6-4-8-25(18-21)35-2)19-13-15-28(16-14-19)26(30)36-23-11-9-22(10-12-23)29(32)33/h3-12,17-19,31H,13-16H2,1-2H3
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n/an/a 560n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of MAGL in mouse brain membrane


J Med Chem 53: 1830-42 (2010)


Article DOI: 10.1021/jm9016976
BindingDB Entry DOI: 10.7270/Q2KH0NFR
More data for this
Ligand-Target Pair
Monoglyceride Lipase (MGL)


(Mus musculus (mouse))
BDBM50307075
PNG
(4-Nitrophenyl 4-(Biphenyl-2-ylmethyl)piperazine-1-...)
Show SMILES [O-][N+](=O)c1ccc(OC(=O)N2CCN(Cc3ccccc3-c3ccccc3)CC2)cc1
Show InChI InChI=1S/C24H23N3O4/c28-24(31-22-12-10-21(11-13-22)27(29)30)26-16-14-25(15-17-26)18-20-8-4-5-9-23(20)19-6-2-1-3-7-19/h1-13H,14-18H2
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n/an/a 670n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of MAGL in mouse brain membrane


J Med Chem 53: 1830-42 (2010)


Article DOI: 10.1021/jm9016976
BindingDB Entry DOI: 10.7270/Q2KH0NFR
More data for this
Ligand-Target Pair
Monoglyceride Lipase (MGL)


(Mus musculus (mouse))
BDBM50307067
PNG
(4-Nitrophenyl 4-(Hydroxydiphenylmethyl)piperidine-...)
Show SMILES OC(C1CCN(CC1)C(=O)Oc1ccc(cc1)[N+]([O-])=O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C25H24N2O5/c28-24(32-23-13-11-22(12-14-23)27(30)31)26-17-15-21(16-18-26)25(29,19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-14,21,29H,15-18H2
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n/an/a 690n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of MAGL in mouse brain membrane


J Med Chem 53: 1830-42 (2010)


Article DOI: 10.1021/jm9016976
BindingDB Entry DOI: 10.7270/Q2KH0NFR
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Mus musculus (mouse))
BDBM50307088
PNG
(4-Nitrophenyl 4-(5-Bromo-2-hydroxybenzyl)piperazin...)
Show SMILES Oc1ccc(Br)cc1CN1CCN(CC1)C(=O)Oc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C18H18BrN3O5/c19-14-1-6-17(23)13(11-14)12-20-7-9-21(10-8-20)18(24)27-16-4-2-15(3-5-16)22(25)26/h1-6,11,23H,7-10,12H2
PDB
MMDB

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n/an/a 720n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of FAAH in mouse brain membrane


J Med Chem 53: 1830-42 (2010)


Article DOI: 10.1021/jm9016976
BindingDB Entry DOI: 10.7270/Q2KH0NFR
More data for this
Ligand-Target Pair
Abhydrolase Domain-Containing Protein 6


(Mus musculus (mouse))
BDBM50307062
PNG
(4-Nitrophenyl 4-Benzylpiperazine-1-carboxylate | C...)
Show SMILES [O-][N+](=O)c1ccc(OC(=O)N2CCN(Cc3ccccc3)CC2)cc1
Show InChI InChI=1S/C18H19N3O4/c22-18(25-17-8-6-16(7-9-17)21(23)24)20-12-10-19(11-13-20)14-15-4-2-1-3-5-15/h1-9H,10-14H2
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n/an/a 740n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ABHD6 in mouse brain membrane


J Med Chem 53: 1830-42 (2010)


Article DOI: 10.1021/jm9016976
BindingDB Entry DOI: 10.7270/Q2KH0NFR
More data for this
Ligand-Target Pair
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