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PubMed code 26888301

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)


(Rattus norvegicus (Rat))
BDBM50160284
PNG
(CHEMBL3785379)
Show SMILES Fc1ccc(cc1)[C@@H]1[C@H](N(C2CCN(CC2)C(=O)n2cncn2)C1=O)c1ccc2OCOc2c1 |r|
Show InChI InChI=1/C24H22FN5O4/c25-17-4-1-15(2-5-17)21-22(16-3-6-19-20(11-16)34-14-33-19)30(23(21)31)18-7-9-28(10-8-18)24(32)29-13-26-12-27-29/h1-6,11-13,18,21-22H,7-10,14H2/t21-,22-/s2
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n/an/a 0.25n/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Inhibition of rat MAGL


J Med Chem 59: 2612-32 (2016)

More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM50160282
PNG
(CHEMBL3785760)
Show SMILES [O-][N+](=O)c1ccc(OC(=O)N2CCC(CC2)N2[C@@H]([C@H](C2=O)c2ccc(F)cc2)c2ccc3OCOc3c2)cc1 |r|
Show InChI InChI=1/C28H24FN3O7/c29-19-4-1-17(2-5-19)25-26(18-3-10-23-24(15-18)38-16-37-23)31(27(25)33)20-11-13-30(14-12-20)28(34)39-22-8-6-21(7-9-22)32(35)36/h1-10,15,20,25-26H,11-14,16H2/t25-,26-/s2
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n/an/a 1.40n/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Inhibition of recombinant C-terminal His6-tagged human MAGL expressed in Escherichia coli using 2-arachidonoyl-[3H]-glycerol as substrate incubated f...


J Med Chem 59: 2612-32 (2016)

More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM50160284
PNG
(CHEMBL3785379)
Show SMILES Fc1ccc(cc1)[C@@H]1[C@H](N(C2CCN(CC2)C(=O)n2cncn2)C1=O)c1ccc2OCOc2c1 |r|
Show InChI InChI=1/C24H22FN5O4/c25-17-4-1-15(2-5-17)21-22(16-3-6-19-20(11-16)34-14-33-19)30(23(21)31)18-7-9-28(10-8-18)24(32)29-13-26-12-27-29/h1-6,11-13,18,21-22H,7-10,14H2/t21-,22-/s2
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n/an/a 4.60n/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Inhibition of recombinant C-terminal His6-tagged human MAGL expressed in Escherichia coli using 2-arachidonoyl-[3H]-glycerol as substrate incubated f...


J Med Chem 59: 2612-32 (2016)

More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM50160284
PNG
(CHEMBL3785379)
Show SMILES Fc1ccc(cc1)[C@@H]1[C@H](N(C2CCN(CC2)C(=O)n2cncn2)C1=O)c1ccc2OCOc2c1 |r|
Show InChI InChI=1/C24H22FN5O4/c25-17-4-1-15(2-5-17)21-22(16-3-6-19-20(11-16)34-14-33-19)30(23(21)31)18-7-9-28(10-8-18)24(32)29-13-26-12-27-29/h1-6,11-13,18,21-22H,7-10,14H2/t21-,22-/s2
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n/an/a 7.40n/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Inhibition of recombinant C-terminal His6-tagged human MAGL expressed in Escherichia coli using 2-arachidonoyl-[3H]-glycerol as substrate incubated f...


J Med Chem 59: 2612-32 (2016)

More data for this
Ligand-Target Pair
Monoglyceride lipase (MGL)


(Rattus norvegicus (Rat))
BDBM50160284
PNG
(CHEMBL3785379)
Show SMILES Fc1ccc(cc1)[C@@H]1[C@H](N(C2CCN(CC2)C(=O)n2cncn2)C1=O)c1ccc2OCOc2c1 |r|
Show InChI InChI=1/C24H22FN5O4/c25-17-4-1-15(2-5-17)21-22(16-3-6-19-20(11-16)34-14-33-19)30(23(21)31)18-7-9-28(10-8-18)24(32)29-13-26-12-27-29/h1-6,11-13,18,21-22H,7-10,14H2/t21-,22-/s2
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n/an/a 10n/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Inhibition of MAGL in rat brain membranes preincubated for 20 mins followed by fluorophosphonate-rhodamine addition measured after 30 mins by competi...


J Med Chem 59: 2612-32 (2016)

More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM50160280
PNG
(CHEMBL3787340)
Show SMILES COc1ccc(cc1)[C@@H]1[C@H](N(C2CCN(CC2)C(=O)n2cncn2)C1=O)c1ccc2OCOc2c1 |r|
Show InChI InChI=1/C25H25N5O5/c1-33-19-5-2-16(3-6-19)22-23(17-4-7-20-21(12-17)35-15-34-20)30(24(22)31)18-8-10-28(11-9-18)25(32)29-14-26-13-27-29/h2-7,12-14,18,22-23H,8-11,15H2,1H3/t22-,23-/s2
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n/an/a 13n/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Inhibition of recombinant C-terminal His6-tagged human MAGL expressed in Escherichia coli using 2-arachidonoyl-[3H]-glycerol as substrate incubated f...


J Med Chem 59: 2612-32 (2016)

More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM50160277
PNG
(CHEMBL3785536)
Show SMILES COc1ccc(cc1)[C@@H]1[C@H](C(=O)N1C1CCN(CC1)C(=O)n1cncn1)c1ccc(OC)cc1 |r|
Show InChI InChI=1/C25H27N5O4/c1-33-20-7-3-17(4-8-20)22-23(18-5-9-21(34-2)10-6-18)30(24(22)31)19-11-13-28(14-12-19)25(32)29-16-26-15-27-29/h3-10,15-16,19,22-23H,11-14H2,1-2H3/t22-,23-/s2
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n/an/a 23n/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Inhibition of recombinant C-terminal His6-tagged human MAGL expressed in Escherichia coli using 2-arachidonoyl-[3H]-glycerol as substrate incubated f...


J Med Chem 59: 2612-32 (2016)

More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM50160283
PNG
(CHEMBL3787346)
Show SMILES Fc1ccc(cc1)[C@H]1[C@@H](N(C2CCN(CC2)C(=O)n2cncn2)C1=O)c1ccc2OCOc2c1 |r|
Show InChI InChI=1/C24H22FN5O4/c25-17-4-1-15(2-5-17)21-22(16-3-6-19-20(11-16)34-14-33-19)30(23(21)31)18-7-9-28(10-8-18)24(32)29-13-26-12-27-29/h1-6,11-13,18,21-22H,7-10,14H2/t21-,22-/s2
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University of Siena

Curated by ChEMBL


Assay Description
Inhibition of recombinant C-terminal His6-tagged human MAGL expressed in Escherichia coli using 2-arachidonoyl-[3H]-glycerol as substrate incubated f...


J Med Chem 59: 2612-32 (2016)

More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM50160279
PNG
(CHEMBL3787224)
Show SMILES COc1ccc(cc1)[C@@H]1[C@H](N(C2CCN(CC2)C(=O)n2cncn2)C1=O)c1ccc(OC)c(OC)c1 |r|
Show InChI InChI=1/C26H29N5O5/c1-34-20-7-4-17(5-8-20)23-24(18-6-9-21(35-2)22(14-18)36-3)31(25(23)32)19-10-12-29(13-11-19)26(33)30-16-27-15-28-30/h4-9,14-16,19,23-24H,10-13H2,1-3H3/t23-,24-/s2
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n/an/a 61n/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Inhibition of recombinant C-terminal His6-tagged human MAGL expressed in Escherichia coli using 2-arachidonoyl-[3H]-glycerol as substrate incubated f...


J Med Chem 59: 2612-32 (2016)

More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM50160281
PNG
(CHEMBL3787592)
Show SMILES Fc1ccc(cc1)[C@@H]1[C@H](N(C2CCN(CC2)C(=O)OC(C(F)(F)F)C(F)(F)F)C1=O)c1ccc2OCOc2c1 |r|
Show InChI InChI=1/C25H21F7N2O5/c26-15-4-1-13(2-5-15)19-20(14-3-6-17-18(11-14)38-12-37-17)34(21(19)35)16-7-9-33(10-8-16)23(36)39-22(24(27,28)29)25(30,31)32/h1-6,11,16,19-20,22H,7-10,12H2/t19-,20-/s2
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n/an/a 98n/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Inhibition of human MAGL expressed in African green monkey COS cells using 2-arachidonoyl-[3H]-glycerol as substrate incubated for 20 mins by scintil...


J Med Chem 59: 2612-32 (2016)

More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM50160284
PNG
(CHEMBL3785379)
Show SMILES Fc1ccc(cc1)[C@@H]1[C@H](N(C2CCN(CC2)C(=O)n2cncn2)C1=O)c1ccc2OCOc2c1 |r|
Show InChI InChI=1/C24H22FN5O4/c25-17-4-1-15(2-5-17)21-22(16-3-6-19-20(11-16)34-14-33-19)30(23(21)31)18-7-9-28(10-8-18)24(32)29-13-26-12-27-29/h1-6,11-13,18,21-22H,7-10,14H2/t21-,22-/s2
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University of Siena

Curated by ChEMBL


Assay Description
Inhibition of recombinant C-terminal His6-tagged human MAGL expressed in Escherichia coli using 2-arachidonoyl-[3H]-glycerol as substrate preincubate...


J Med Chem 59: 2612-32 (2016)

More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM50160284
PNG
(CHEMBL3785379)
Show SMILES Fc1ccc(cc1)[C@@H]1[C@H](N(C2CCN(CC2)C(=O)n2cncn2)C1=O)c1ccc2OCOc2c1 |r|
Show InChI InChI=1/C24H22FN5O4/c25-17-4-1-15(2-5-17)21-22(16-3-6-19-20(11-16)34-14-33-19)30(23(21)31)18-7-9-28(10-8-18)24(32)29-13-26-12-27-29/h1-6,11-13,18,21-22H,7-10,14H2/t21-,22-/s2
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University of Siena

Curated by ChEMBL


Assay Description
Inhibition of recombinant C-terminal His6-tagged human MAGL expressed in Escherichia coli using 2-arachidonoyl-[3H]-glycerol as substrate preincubate...


J Med Chem 59: 2612-32 (2016)

More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM50160278
PNG
(CHEMBL3786142)
Show SMILES COc1ccc(cc1OC)[C@@H]1[C@H](C(=O)N1C1CCN(CC1)C(=O)n1cncn1)c1ccc(OC)c(OC)c1 |r|
Show InChI InChI=1/C27H31N5O6/c1-35-20-7-5-17(13-22(20)37-3)24-25(18-6-8-21(36-2)23(14-18)38-4)32(26(24)33)19-9-11-30(12-10-19)27(34)31-16-28-15-29-31/h5-8,13-16,19,24-25H,9-12H2,1-4H3/t24-,25-/s2
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University of Siena

Curated by ChEMBL


Assay Description
Inhibition of recombinant C-terminal His6-tagged human MAGL expressed in Escherichia coli using 2-arachidonoyl-[3H]-glycerol as substrate incubated f...


J Med Chem 59: 2612-32 (2016)

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 285n/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Inhibition of recombinant C-terminal His6-tagged human MAGL expressed in Escherichia coli using 2-arachidonoyl-[3H]-glycerol as substrate incubated f...


J Med Chem 59: 2612-32 (2016)

More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM50160287
PNG
(CHEMBL3787453)
Show SMILES Fc1ccc(cc1)[C@H]1CN([C@@H]1c1ccc2OCOc2c1)C1CCN(CC1)C(=O)n1cncn1 |r|
Show InChI InChI=1/C24H24FN5O3/c25-18-4-1-16(2-5-18)20-12-29(23(20)17-3-6-21-22(11-17)33-15-32-21)19-7-9-28(10-8-19)24(31)30-14-26-13-27-30/h1-6,11,13-14,19-20,23H,7-10,12,15H2/t20-,23-/s2
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University of Siena

Curated by ChEMBL


Assay Description
Inhibition of recombinant C-terminal His6-tagged human MAGL expressed in Escherichia coli using 2-arachidonoyl-[3H]-glycerol as substrate incubated f...


J Med Chem 59: 2612-32 (2016)

More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50160279
PNG
(CHEMBL3787224)
Show SMILES COc1ccc(cc1)[C@@H]1[C@H](N(C2CCN(CC2)C(=O)n2cncn2)C1=O)c1ccc(OC)c(OC)c1 |r|
Show InChI InChI=1/C26H29N5O5/c1-34-20-7-4-17(5-8-20)23-24(18-6-9-21(35-2)22(14-18)36-3)31(25(23)32)19-10-12-29(13-11-19)26(33)30-16-27-15-28-30/h4-9,14-16,19,23-24H,10-13H2,1-3H3/t23-,24-/s2
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n/an/a 725n/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Inhibition of FAAH in rat brain membranes using using N-arachidonoyl-[14C]-ethanolamine as substrate assessed as reduction in [14C]ethanolamine produ...


J Med Chem 59: 2612-32 (2016)

More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM50160283
PNG
(CHEMBL3787346)
Show SMILES Fc1ccc(cc1)[C@H]1[C@@H](N(C2CCN(CC2)C(=O)n2cncn2)C1=O)c1ccc2OCOc2c1 |r|
Show InChI InChI=1/C24H22FN5O4/c25-17-4-1-15(2-5-17)21-22(16-3-6-19-20(11-16)34-14-33-19)30(23(21)31)18-7-9-28(10-8-18)24(32)29-13-26-12-27-29/h1-6,11-13,18,21-22H,7-10,14H2/t21-,22-/s2
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University of Siena

Curated by ChEMBL


Assay Description
Inhibition of recombinant C-terminal His6-tagged human MAGL expressed in Escherichia coli using 2-arachidonoyl-[3H]-glycerol as substrate preincubate...


J Med Chem 59: 2612-32 (2016)

More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50160280
PNG
(CHEMBL3787340)
Show SMILES COc1ccc(cc1)[C@@H]1[C@H](N(C2CCN(CC2)C(=O)n2cncn2)C1=O)c1ccc2OCOc2c1 |r|
Show InChI InChI=1/C25H25N5O5/c1-33-19-5-2-16(3-6-19)22-23(17-4-7-20-21(12-17)35-15-34-20)30(24(22)31)18-8-10-28(11-9-18)25(32)29-14-26-13-27-29/h2-7,12-14,18,22-23H,8-11,15H2,1H3/t22-,23-/s2
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n/an/a 2.59E+3n/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Inhibition of FAAH in rat brain membranes using using N-arachidonoyl-[14C]-ethanolamine as substrate assessed as reduction in [14C]ethanolamine produ...


J Med Chem 59: 2612-32 (2016)

More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50160284
PNG
(CHEMBL3785379)
Show SMILES Fc1ccc(cc1)[C@@H]1[C@H](N(C2CCN(CC2)C(=O)n2cncn2)C1=O)c1ccc2OCOc2c1 |r|
Show InChI InChI=1/C24H22FN5O4/c25-17-4-1-15(2-5-17)21-22(16-3-6-19-20(11-16)34-14-33-19)30(23(21)31)18-7-9-28(10-8-18)24(32)29-13-26-12-27-29/h1-6,11-13,18,21-22H,7-10,14H2/t21-,22-/s2
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n/an/a 2.88E+3n/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Inhibition of recombinant C-terminal His-tagged human FAAH expressed in sf21 cells using N-arachidonoyl-[14C]-ethanolamine as substrate assessed as r...


J Med Chem 59: 2612-32 (2016)

More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50160277
PNG
(CHEMBL3785536)
Show SMILES COc1ccc(cc1)[C@@H]1[C@H](C(=O)N1C1CCN(CC1)C(=O)n1cncn1)c1ccc(OC)cc1 |r|
Show InChI InChI=1/C25H27N5O4/c1-33-20-7-3-17(4-8-20)22-23(18-5-9-21(34-2)10-6-18)30(24(22)31)19-11-13-28(14-12-19)25(32)29-16-26-15-27-29/h3-10,15-16,19,22-23H,11-14H2,1-2H3/t22-,23-/s2
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n/an/a 3.68E+3n/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Inhibition of FAAH in rat brain membranes using using N-arachidonoyl-[14C]-ethanolamine as substrate assessed as reduction in [14C]ethanolamine produ...


J Med Chem 59: 2612-32 (2016)

More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50160284
PNG
(CHEMBL3785379)
Show SMILES Fc1ccc(cc1)[C@@H]1[C@H](N(C2CCN(CC2)C(=O)n2cncn2)C1=O)c1ccc2OCOc2c1 |r|
Show InChI InChI=1/C24H22FN5O4/c25-17-4-1-15(2-5-17)21-22(16-3-6-19-20(11-16)34-14-33-19)30(23(21)31)18-7-9-28(10-8-18)24(32)29-13-26-12-27-29/h1-6,11-13,18,21-22H,7-10,14H2/t21-,22-/s2
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n/an/a 4.05E+3n/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Inhibition of recombinant C-terminal His-tagged human FAAH expressed in sf21 cells using N-arachidonoyl-[14C]-ethanolamine as substrate assessed as r...


J Med Chem 59: 2612-32 (2016)

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 4.44E+3n/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Inhibition of recombinant C-terminal His6-tagged human MAGL expressed in Escherichia coli using 2-arachidonoyl-[3H]-glycerol as substrate preincubate...


J Med Chem 59: 2612-32 (2016)

More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50160283
PNG
(CHEMBL3787346)
Show SMILES Fc1ccc(cc1)[C@H]1[C@@H](N(C2CCN(CC2)C(=O)n2cncn2)C1=O)c1ccc2OCOc2c1 |r|
Show InChI InChI=1/C24H22FN5O4/c25-17-4-1-15(2-5-17)21-22(16-3-6-19-20(11-16)34-14-33-19)30(23(21)31)18-7-9-28(10-8-18)24(32)29-13-26-12-27-29/h1-6,11-13,18,21-22H,7-10,14H2/t21-,22-/s2
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n/an/a 7.74E+3n/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Inhibition of recombinant C-terminal His-tagged human FAAH expressed in sf21 cells using N-arachidonoyl-[14C]-ethanolamine as substrate assessed as r...


J Med Chem 59: 2612-32 (2016)

More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM50160285
PNG
(CHEMBL3786786)
Show SMILES O=C(N1CCCCC1)n1cncn1
Show InChI InChI=1S/C8H12N4O/c13-8(12-7-9-6-10-12)11-4-2-1-3-5-11/h6-7H,1-5H2
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Inhibition of recombinant C-terminal His6-tagged human MAGL expressed in Escherichia coli using 2-arachidonoyl-[3H]-glycerol as substrate incubated f...


J Med Chem 59: 2612-32 (2016)

More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM50160290
PNG
(CHEMBL3786806)
Show SMILES Fc1ccc(cc1)[C@@H]1[C@H](N(C2CCN(CC2)C(=O)n2ccnc2)C1=O)c1ccc2OCOc2c1 |r|
Show InChI InChI=1/C25H23FN4O4/c26-18-4-1-16(2-5-18)22-23(17-3-6-20-21(13-17)34-15-33-20)30(24(22)31)19-7-10-28(11-8-19)25(32)29-12-9-27-14-29/h1-6,9,12-14,19,22-23H,7-8,10-11,15H2/t22-,23-/s2
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University of Siena

Curated by ChEMBL


Assay Description
Inhibition of recombinant C-terminal His6-tagged human MAGL expressed in Escherichia coli using 2-arachidonoyl-[3H]-glycerol as substrate incubated f...


J Med Chem 59: 2612-32 (2016)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50160284
PNG
(CHEMBL3785379)
Show SMILES Fc1ccc(cc1)[C@@H]1[C@H](N(C2CCN(CC2)C(=O)n2cncn2)C1=O)c1ccc2OCOc2c1 |r|
Show InChI InChI=1/C24H22FN5O4/c25-17-4-1-15(2-5-17)21-22(16-3-6-19-20(11-16)34-14-33-19)30(23(21)31)18-7-9-28(10-8-18)24(32)29-13-26-12-27-29/h1-6,11-13,18,21-22H,7-10,14H2/t21-,22-/s2
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55940 from human recombinant CB2 receptor expressed in HEK293 cells after 90 mins


J Med Chem 59: 2612-32 (2016)

More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50160282
PNG
(CHEMBL3785760)
Show SMILES [O-][N+](=O)c1ccc(OC(=O)N2CCC(CC2)N2[C@@H]([C@H](C2=O)c2ccc(F)cc2)c2ccc3OCOc3c2)cc1 |r|
Show InChI InChI=1/C28H24FN3O7/c29-19-4-1-17(2-5-19)25-26(18-3-10-23-24(15-18)38-16-37-23)31(27(25)33)20-11-13-30(14-12-20)28(34)39-22-8-6-21(7-9-22)32(35)36/h1-10,15,20,25-26H,11-14,16H2/t25-,26-/s2
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Inhibition of recombinant C-terminal His-tagged human FAAH expressed in sf21 cells using N-arachidonoyl-[14C]-ethanolamine as substrate assessed as r...


J Med Chem 59: 2612-32 (2016)

More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM50160286
PNG
(CHEMBL3787456)
Show SMILES Fc1ccc(cc1)[C@@H]1[C@H](NC1=O)c1ccc2OCOc2c1 |r|
Show InChI InChI=1/C16H12FNO3/c17-11-4-1-9(2-5-11)14-15(18-16(14)19)10-3-6-12-13(7-10)21-8-20-12/h1-7,14-15H,8H2,(H,18,19)/t14-,15-/s2
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n/an/a 1.00E+4n/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Inhibition of recombinant C-terminal His6-tagged human MAGL expressed in Escherichia coli using 2-arachidonoyl-[3H]-glycerol as substrate incubated f...


J Med Chem 59: 2612-32 (2016)

More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM50160288
PNG
(CHEMBL3787437)
Show SMILES Fc1ccc(cc1)[C@@H]1[C@H](N(C2CCNCC2)C1=O)c1ccc2OCOc2c1 |r|
Show InChI InChI=1/C21H21FN2O3/c22-15-4-1-13(2-5-15)19-20(14-3-6-17-18(11-14)27-12-26-17)24(21(19)25)16-7-9-23-10-8-16/h1-6,11,16,19-20,23H,7-10,12H2/t19-,20-/s2
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Inhibition of recombinant C-terminal His6-tagged human MAGL expressed in Escherichia coli using 2-arachidonoyl-[3H]-glycerol as substrate incubated f...


J Med Chem 59: 2612-32 (2016)

More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM50160289
PNG
(CHEMBL3785148)
Show SMILES Fc1ccc(cc1)[C@@H]1[C@H](N(C2CCN(Cc3ccccc3)CC2)C1=O)c1ccc2OCOc2c1 |r|
Show InChI InChI=1/C28H27FN2O3/c29-22-9-6-20(7-10-22)26-27(21-8-11-24-25(16-21)34-18-33-24)31(28(26)32)23-12-14-30(15-13-23)17-19-4-2-1-3-5-19/h1-11,16,23,26-27H,12-15,17-18H2/t26-,27-/s2
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University of Siena

Curated by ChEMBL


Assay Description
Inhibition of recombinant C-terminal His6-tagged human MAGL expressed in Escherichia coli using 2-arachidonoyl-[3H]-glycerol as substrate incubated f...


J Med Chem 59: 2612-32 (2016)

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>1.00E+4n/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Inhibition of FAAH in mouse brain membrane using [13C]oleamide as substrate by LC-MS analysis


J Med Chem 59: 2612-32 (2016)

More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50160278
PNG
(CHEMBL3786142)
Show SMILES COc1ccc(cc1OC)[C@@H]1[C@H](C(=O)N1C1CCN(CC1)C(=O)n1cncn1)c1ccc(OC)c(OC)c1 |r|
Show InChI InChI=1/C27H31N5O6/c1-35-20-7-5-17(13-22(20)37-3)24-25(18-6-8-21(36-2)23(14-18)38-4)32(26(24)33)19-9-11-30(12-10-19)27(34)31-16-28-15-29-31/h5-8,13-16,19,24-25H,9-12H2,1-4H3/t24-,25-/s2
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University of Siena

Curated by ChEMBL


Assay Description
Inhibition of FAAH in rat brain membranes using using N-arachidonoyl-[14C]-ethanolamine as substrate assessed as reduction in [14C]ethanolamine produ...


J Med Chem 59: 2612-32 (2016)

More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50160284
PNG
(CHEMBL3785379)
Show SMILES Fc1ccc(cc1)[C@@H]1[C@H](N(C2CCN(CC2)C(=O)n2cncn2)C1=O)c1ccc2OCOc2c1 |r|
Show InChI InChI=1/C24H22FN5O4/c25-17-4-1-15(2-5-17)21-22(16-3-6-19-20(11-16)34-14-33-19)30(23(21)31)18-7-9-28(10-8-18)24(32)29-13-26-12-27-29/h1-6,11-13,18,21-22H,7-10,14H2/t21-,22-/s2
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University of Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55940 from human recombinant CB1 receptor expressed in HEK293 cells after 90 mins


J Med Chem 59: 2612-32 (2016)

More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50160281
PNG
(CHEMBL3787592)
Show SMILES Fc1ccc(cc1)[C@@H]1[C@H](N(C2CCN(CC2)C(=O)OC(C(F)(F)F)C(F)(F)F)C1=O)c1ccc2OCOc2c1 |r|
Show InChI InChI=1/C25H21F7N2O5/c26-15-4-1-13(2-5-15)19-20(14-3-6-17-18(11-14)38-12-37-17)34(21(19)35)16-7-9-33(10-8-16)23(36)39-22(24(27,28)29)25(30,31)32/h1-6,11,16,19-20,22H,7-10,12H2/t19-,20-/s2
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Inhibition of FAAH in rat brain membranes using using N-arachidonoyl-[14C]-ethanolamine as substrate assessed as reduction in [14C]ethanolamine produ...


J Med Chem 59: 2612-32 (2016)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%