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Compile Data Set for Download or QSAR

Found 202 hits with Last Name = 'clapper' and Initial = 'jr'   
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 [30-579]


(Rattus norvegicus (rat))
BDBM50419129
PNG
(CHEMBL1830441)
Show SMILES NC(=O)c1cccc(c1)-c1cccc(OC(=O)NCCCCc2ccccc2)c1
Show InChI InChI=1S/C24H24N2O3/c25-23(27)21-13-6-11-19(16-21)20-12-7-14-22(17-20)29-24(28)26-15-5-4-10-18-8-2-1-3-9-18/h1-3,6-9,11-14,16-17H,4-5,10,15H2,(H2,25,27)(H,26,28)
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n/an/a 0.331n/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Displacement of [3H]-anandamide from rat brain FAAH after 30 mins by scintillation counting


Eur J Med Chem 46: 4466-73 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.021
BindingDB Entry DOI: 10.7270/Q2FB546B
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM50271030
PNG
(3'-carbamoylbiphenyl-3-yl naphthalen-2-ylmethylcar...)
Show SMILES NC(=O)c1cccc(c1)-c1cccc(OC(=O)NCc2ccc3ccccc3c2)c1
Show InChI InChI=1S/C25H20N2O3/c26-24(28)22-9-3-7-20(14-22)21-8-4-10-23(15-21)30-25(29)27-16-17-11-12-18-5-1-2-6-19(18)13-17/h1-15H,16H2,(H2,26,28)(H,27,29)
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n/an/a 0.630n/an/an/an/an/an/a



Università degli Studi di Parma

Curated by ChEMBL


Assay Description
Inhibition of FAAH in rat brain membrane assessed as [3H]anandamide hydrolysis


J Med Chem 51: 3487-98 (2008)


Article DOI: 10.1021/jm701631z
BindingDB Entry DOI: 10.7270/Q2TM79W9
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM50271030
PNG
(3'-carbamoylbiphenyl-3-yl naphthalen-2-ylmethylcar...)
Show SMILES NC(=O)c1cccc(c1)-c1cccc(OC(=O)NCc2ccc3ccccc3c2)c1
Show InChI InChI=1S/C25H20N2O3/c26-24(28)22-9-3-7-20(14-22)21-8-4-10-23(15-21)30-25(29)27-16-17-11-12-18-5-1-2-6-19(18)13-17/h1-15H,16H2,(H2,26,28)(H,27,29)
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n/an/a 0.631n/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Displacement of [3H]-anandamide from rat brain FAAH after 30 mins by scintillation counting


Eur J Med Chem 46: 4466-73 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.021
BindingDB Entry DOI: 10.7270/Q2FB546B
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM50503340
PNG
(CHEMBL4468636)
Show SMILES FC(F)(F)C(OC(=O)N1CCN(Cc2ccc(cc2N2CC3COCC3C2)C(F)(F)F)CC1)C(F)(F)F
Show InChI InChI=1S/C22H24F9N3O3/c23-20(24,25)16-2-1-13(17(7-16)34-9-14-11-36-12-15(14)10-34)8-32-3-5-33(6-4-32)19(35)37-18(21(26,27)28)22(29,30)31/h1-2,7,14-15,18H,3-6,8-12H2
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Abide Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of MGLL derived from human PC3 cell lysates preincubated for 30 mins followed by JW912 addition after 30 mins by gel-based ABPP assay


J Med Chem 61: 9062-9084 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00951
BindingDB Entry DOI: 10.7270/Q2TH8QZH
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM50503331
PNG
(CHEMBL4522687)
Show SMILES O[C@H]1CCN(C1)c1cc(ccc1CN1CCN(CC1)C(=O)OC(C(F)(F)F)C(F)(F)F)C(F)(F)F |r|
Show InChI InChI=1S/C20H22F9N3O3/c21-18(22,23)13-2-1-12(15(9-13)32-4-3-14(33)11-32)10-30-5-7-31(8-6-30)17(34)35-16(19(24,25)26)20(27,28)29/h1-2,9,14,16,33H,3-8,10-11H2/t14-/m0/s1
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Abide Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of MGLL derived from human PC3 cell lysates preincubated for 30 mins followed by JW912 addition after 30 mins by gel-based ABPP assay


J Med Chem 61: 9062-9084 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00951
BindingDB Entry DOI: 10.7270/Q2TH8QZH
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM50503336
PNG
(CHEMBL4437377)
Show SMILES O[C@@H]1CCN(C1)c1cc(ccc1CN1CCN(CC1)C(=O)OC(C(F)(F)F)C(F)(F)F)C(F)(F)F |r|
Show InChI InChI=1S/C20H22F9N3O3/c21-18(22,23)13-2-1-12(15(9-13)32-4-3-14(33)11-32)10-30-5-7-31(8-6-30)17(34)35-16(19(24,25)26)20(27,28)29/h1-2,9,14,16,33H,3-8,10-11H2/t14-/m1/s1
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Abide Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of MGLL derived from human PC3 cell lysates preincubated for 30 mins followed by JW912 addition after 30 mins by gel-based ABPP assay


J Med Chem 61: 9062-9084 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00951
BindingDB Entry DOI: 10.7270/Q2TH8QZH
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM180052
PNG
(US9133148, 9aq)
Show SMILES FC(F)(F)C(OC(=O)N1CCN(Cc2ccc(cc2N2CCCC2)C(F)(F)F)CC1)C(F)(F)F
Show InChI InChI=1S/C20H22F9N3O2/c21-18(22,23)14-4-3-13(15(11-14)31-5-1-2-6-31)12-30-7-9-32(10-8-30)17(33)34-16(19(24,25)26)20(27,28)29/h3-4,11,16H,1-2,5-10,12H2
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n/an/a 2.20n/an/an/an/an/an/a



Abide Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of MGLL in human intact PC3 cells preincubated for 30 mins followed by JW912 addition after 30 mins by gel-based ABPP assay


J Med Chem 61: 9062-9084 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00951
BindingDB Entry DOI: 10.7270/Q2TH8QZH
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM179948
PNG
(US9133148, 2l)
Show SMILES FC(F)(F)C(OC(=O)N1CCN(CC1)C(c1cccnc1)c1cccnc1)C(F)(F)F
Show InChI InChI=1S/C19H18F6N4O2/c20-18(21,22)16(19(23,24)25)31-17(30)29-9-7-28(8-10-29)15(13-3-1-5-26-11-13)14-4-2-6-27-12-14/h1-6,11-12,15-16H,7-10H2
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Abide Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of MGLL derived from human PC3 cell lysates preincubated for 30 mins followed by JW912 addition after 30 mins by gel-based ABPP assay


J Med Chem 61: 9062-9084 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00951
BindingDB Entry DOI: 10.7270/Q2TH8QZH
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM180039
PNG
(US9133148, 9ad)
Show SMILES FC(F)(F)C(OC(=O)N1CCN(Cc2cccc(Cl)c2N2CCOCC2)CC1)C(F)(F)F
Show InChI InChI=1S/C19H22ClF6N3O3/c20-14-3-1-2-13(15(14)28-8-10-31-11-9-28)12-27-4-6-29(7-5-27)17(30)32-16(18(21,22)23)19(24,25)26/h1-3,16H,4-12H2
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Abide Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of MGLL derived from human PC3 cell lysates preincubated for 30 mins followed by JW912 addition after 30 mins by gel-based ABPP assay


J Med Chem 61: 9062-9084 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00951
BindingDB Entry DOI: 10.7270/Q2TH8QZH
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM50503334
PNG
(CHEMBL4468639)
Show SMILES FCCN1CCN(CC1)c1cc(Cl)ccc1CN1CCN(CC1)C(=O)OC(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C21H26ClF7N4O2/c22-16-2-1-15(17(13-16)32-9-5-30(4-3-23)6-10-32)14-31-7-11-33(12-8-31)19(34)35-18(20(24,25)26)21(27,28)29/h1-2,13,18H,3-12,14H2
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Abide Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of MGLL derived from human PC3 cell lysates preincubated for 30 mins followed by JW912 addition after 30 mins by gel-based ABPP assay


J Med Chem 61: 9062-9084 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00951
BindingDB Entry DOI: 10.7270/Q2TH8QZH
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM50503335
PNG
(CHEMBL4450649)
Show SMILES FC(F)(F)C(OC(=O)N1CCN(Cc2ccc(cc2N2CCC3(C2)CCOCC3)C(F)(F)F)CC1)C(F)(F)F
Show InChI InChI=1S/C24H28F9N3O3/c25-22(26,27)17-2-1-16(18(13-17)36-6-3-21(15-36)4-11-38-12-5-21)14-34-7-9-35(10-8-34)20(37)39-19(23(28,29)30)24(31,32)33/h1-2,13,19H,3-12,14-15H2
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Abide Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of MGLL derived from human PC3 cell lysates preincubated for 30 mins followed by JW912 addition after 30 mins by gel-based ABPP assay


J Med Chem 61: 9062-9084 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00951
BindingDB Entry DOI: 10.7270/Q2TH8QZH
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM26739
PNG
(3-(3-carbamoylphenyl)phenyl N-cyclohexylcarbamate ...)
Show SMILES NC(=O)c1cccc(c1)-c1cccc(OC(=O)NC2CCCCC2)c1
Show InChI InChI=1S/C20H22N2O3/c21-19(23)16-8-4-6-14(12-16)15-7-5-11-18(13-15)25-20(24)22-17-9-2-1-3-10-17/h4-8,11-13,17H,1-3,9-10H2,(H2,21,23)(H,22,24)
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n/an/a 4.57n/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Displacement of [3H]-anandamide from rat brain FAAH after 30 mins by scintillation counting


Eur J Med Chem 46: 4466-73 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.021
BindingDB Entry DOI: 10.7270/Q2FB546B
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM26739
PNG
(3-(3-carbamoylphenyl)phenyl N-cyclohexylcarbamate ...)
Show SMILES NC(=O)c1cccc(c1)-c1cccc(OC(=O)NC2CCCCC2)c1
Show InChI InChI=1S/C20H22N2O3/c21-19(23)16-8-4-6-14(12-16)15-7-5-11-18(13-15)25-20(24)22-17-9-2-1-3-10-17/h4-8,11-13,17H,1-3,9-10H2,(H2,21,23)(H,22,24)
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Università degli Studi di Parma

Curated by ChEMBL


Assay Description
Inhibition of FAAH in rat brain membrane assessed as [3H]anandamide hydrolysis


J Med Chem 51: 3487-98 (2008)


Article DOI: 10.1021/jm701631z
BindingDB Entry DOI: 10.7270/Q2TM79W9
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM180078
PNG
(US9133148, 10g)
Show SMILES Cn1cc(CN2CCN(CC2)C(=O)OC(C(F)(F)F)C(F)(F)F)c(n1)-c1ccccc1Cl
Show InChI InChI=1S/C19H19ClF6N4O2/c1-28-10-12(15(27-28)13-4-2-3-5-14(13)20)11-29-6-8-30(9-7-29)17(31)32-16(18(21,22)23)19(24,25)26/h2-5,10,16H,6-9,11H2,1H3
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Abide Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of MGLL derived from human PC3 cell lysates preincubated for 30 mins followed by JW912 addition after 30 mins by gel-based ABPP assay


J Med Chem 61: 9062-9084 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00951
BindingDB Entry DOI: 10.7270/Q2TH8QZH
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM50271029
PNG
(CHEMBL520890 | Naphthalen-2-ylmethylcarbamic Acid ...)
Show SMILES CC(=O)c1cccc(c1)-c1cccc(OC(=O)NCc2ccc3ccccc3c2)c1
Show InChI InChI=1S/C26H21NO3/c1-18(28)21-8-4-9-23(15-21)24-10-5-11-25(16-24)30-26(29)27-17-19-12-13-20-6-2-3-7-22(20)14-19/h2-16H,17H2,1H3,(H,27,29)
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Università degli Studi di Parma

Curated by ChEMBL


Assay Description
Inhibition of FAAH in rat brain membrane assessed as [3H]anandamide hydrolysis


J Med Chem 51: 3487-98 (2008)


Article DOI: 10.1021/jm701631z
BindingDB Entry DOI: 10.7270/Q2TM79W9
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM50270860
PNG
(CHEMBL521228 | Naphthalen-2-ylmethylcarbamic Acid ...)
Show SMILES O=C(NCc1ccc2ccccc2c1)Oc1cccc(c1)-c1ccccc1
Show InChI InChI=1S/C24H19NO2/c26-24(25-17-18-13-14-20-9-4-5-10-21(20)15-18)27-23-12-6-11-22(16-23)19-7-2-1-3-8-19/h1-16H,17H2,(H,25,26)
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Università degli Studi di Parma

Curated by ChEMBL


Assay Description
Inhibition of FAAH in rat brain membrane assessed as [3H]anandamide hydrolysis


J Med Chem 51: 3487-98 (2008)


Article DOI: 10.1021/jm701631z
BindingDB Entry DOI: 10.7270/Q2TM79W9
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM50270860
PNG
(CHEMBL521228 | Naphthalen-2-ylmethylcarbamic Acid ...)
Show SMILES O=C(NCc1ccc2ccccc2c1)Oc1cccc(c1)-c1ccccc1
Show InChI InChI=1S/C24H19NO2/c26-24(25-17-18-13-14-20-9-4-5-10-21(20)15-18)27-23-12-6-11-22(16-23)19-7-2-1-3-8-19/h1-16H,17H2,(H,25,26)
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Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Displacement of [3H]-anandamide from rat brain FAAH after 30 mins by scintillation counting


Eur J Med Chem 46: 4466-73 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.021
BindingDB Entry DOI: 10.7270/Q2FB546B
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM50270864
PNG
(8-Phenyloctylcarbamic Acid Biphenyl-3-yl Ester | C...)
Show SMILES O=C(NCCCCCCCCc1ccccc1)Oc1cccc(c1)-c1ccccc1
Show InChI InChI=1S/C27H31NO2/c29-27(30-26-20-13-19-25(22-26)24-17-10-6-11-18-24)28-21-12-4-2-1-3-7-14-23-15-8-5-9-16-23/h5-6,8-11,13,15-20,22H,1-4,7,12,14,21H2,(H,28,29)
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Università degli Studi di Parma

Curated by ChEMBL


Assay Description
Inhibition of FAAH in rat brain membrane assessed as [3H]anandamide hydrolysis


J Med Chem 51: 3487-98 (2008)


Article DOI: 10.1021/jm701631z
BindingDB Entry DOI: 10.7270/Q2TM79W9
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM50503339
PNG
(CHEMBL4469632)
Show SMILES Cn1ncc2cc(ccc12)C(N1CCN(CC1)C(=O)OC(C(F)(F)F)C(F)(F)F)c1ccc2n(C)ncc2c1
Show InChI InChI=1S/C25H24F6N6O2/c1-34-19-5-3-15(11-17(19)13-32-34)21(16-4-6-20-18(12-16)14-33-35(20)2)36-7-9-37(10-8-36)23(38)39-22(24(26,27)28)25(29,30)31/h3-6,11-14,21-22H,7-10H2,1-2H3
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Abide Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of MGLL derived from human PC3 cell lysates preincubated for 30 mins followed by JW912 addition after 30 mins by gel-based ABPP assay


J Med Chem 61: 9062-9084 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00951
BindingDB Entry DOI: 10.7270/Q2TH8QZH
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM26739
PNG
(3-(3-carbamoylphenyl)phenyl N-cyclohexylcarbamate ...)
Show SMILES NC(=O)c1cccc(c1)-c1cccc(OC(=O)NC2CCCCC2)c1
Show InChI InChI=1S/C20H22N2O3/c21-19(23)16-8-4-6-14(12-16)15-7-5-11-18(13-15)25-20(24)22-17-9-2-1-3-10-17/h4-8,11-13,17H,1-3,9-10H2,(H2,21,23)(H,22,24)
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US Patent
n/an/a 7.70n/an/an/an/an/an/a



The Regents of the University of California; Universita Degli Studi Di Parma; Universita Degli Studi Di Urbino

US Patent


Assay Description
The assays for compounds described herein are amenable to high throughput screening. Preferred assays thus detect binding of the inhibitor to FAAH or...


US Patent US9187413 (2015)


BindingDB Entry DOI: 10.7270/Q2FQ9VD1
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM50271026
PNG
(4'-Phenyl-4-phenylbutylcarbamic Acid Biphenyl-3-yl...)
Show SMILES O=C(NCCCCc1ccc(cc1)-c1ccccc1)Oc1cccc(c1)-c1ccccc1
Show InChI InChI=1S/C29H27NO2/c31-29(32-28-16-9-15-27(22-28)25-13-5-2-6-14-25)30-21-8-7-10-23-17-19-26(20-18-23)24-11-3-1-4-12-24/h1-6,9,11-20,22H,7-8,10,21H2,(H,30,31)
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n/an/a 7.80n/an/an/an/an/an/a



Università degli Studi di Parma

Curated by ChEMBL


Assay Description
Inhibition of FAAH in rat brain membrane assessed as [3H]anandamide hydrolysis


J Med Chem 51: 3487-98 (2008)


Article DOI: 10.1021/jm701631z
BindingDB Entry DOI: 10.7270/Q2TM79W9
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Mus musculus (mouse))
BDBM50503336
PNG
(CHEMBL4437377)
Show SMILES O[C@@H]1CCN(C1)c1cc(ccc1CN1CCN(CC1)C(=O)OC(C(F)(F)F)C(F)(F)F)C(F)(F)F |r|
Show InChI InChI=1S/C20H22F9N3O3/c21-18(22,23)13-2-1-12(15(9-13)32-4-3-14(33)11-32)10-30-5-7-31(8-6-30)17(34)35-16(19(24,25)26)20(27,28)29/h1-2,9,14,16,33H,3-8,10-11H2/t14-/m1/s1
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Abide Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of MGLL derived from mouse brain homogenates preincubated for 30 mins followed by JW912 addition after 30 mins by gel-based ABPP assay


J Med Chem 61: 9062-9084 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00951
BindingDB Entry DOI: 10.7270/Q2TH8QZH
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM50503333
PNG
(CHEMBL4539731)
Show SMILES [H][C@]12CC[C@]([H])(CN(C1)c1cc(ccc1CN1CCN(CC1)C(=O)OC(C(F)(F)F)C(F)(F)F)C(F)(F)F)O2 |r|
Show InChI InChI=1S/C22H24F9N3O3/c23-20(24,25)14-2-1-13(17(9-14)34-11-15-3-4-16(12-34)36-15)10-32-5-7-33(8-6-32)19(35)37-18(21(26,27)28)22(29,30)31/h1-2,9,15-16,18H,3-8,10-12H2/t15-,16+
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n/an/a 9n/an/an/an/an/an/a



Abide Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of MGLL derived from human PC3 cell lysates preincubated for 30 mins followed by JW912 addition after 30 mins by gel-based ABPP assay


J Med Chem 61: 9062-9084 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00951
BindingDB Entry DOI: 10.7270/Q2TH8QZH
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM50270861
PNG
(4-Phenylbutylcarbamic Acid Biphenyl-3-yl Ester | C...)
Show SMILES O=C(NCCCCc1ccccc1)Oc1cccc(c1)-c1ccccc1
Show InChI InChI=1S/C23H23NO2/c25-23(24-17-8-7-12-19-10-3-1-4-11-19)26-22-16-9-15-21(18-22)20-13-5-2-6-14-20/h1-6,9-11,13-16,18H,7-8,12,17H2,(H,24,25)
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n/an/a 9.33n/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Displacement of [3H]-anandamide from rat brain FAAH after 30 mins by scintillation counting


Eur J Med Chem 46: 4466-73 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.021
BindingDB Entry DOI: 10.7270/Q2FB546B
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM50270861
PNG
(4-Phenylbutylcarbamic Acid Biphenyl-3-yl Ester | C...)
Show SMILES O=C(NCCCCc1ccccc1)Oc1cccc(c1)-c1ccccc1
Show InChI InChI=1S/C23H23NO2/c25-23(24-17-8-7-12-19-10-3-1-4-11-19)26-22-16-9-15-21(18-22)20-13-5-2-6-14-20/h1-6,9-11,13-16,18H,7-8,12,17H2,(H,24,25)
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n/an/a 9.40n/an/an/an/an/an/a



Università degli Studi di Parma

Curated by ChEMBL


Assay Description
Inhibition of FAAH in rat brain membrane assessed as [3H]anandamide hydrolysis


J Med Chem 51: 3487-98 (2008)


Article DOI: 10.1021/jm701631z
BindingDB Entry DOI: 10.7270/Q2TM79W9
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM50503327
PNG
(CHEMBL4435014)
Show SMILES [H][C@]12CCCN1CN(CC2)c1cc(Cl)ccc1CN1CCN(CC1)C(=O)OC(C(F)(F)F)C(F)(F)F |r|
Show InChI InChI=1S/C22H27ClF6N4O2/c23-16-4-3-15(18(12-16)33-7-5-17-2-1-6-32(17)14-33)13-30-8-10-31(11-9-30)20(34)35-19(21(24,25)26)22(27,28)29/h3-4,12,17,19H,1-2,5-11,13-14H2/t17-/m1/s1
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Abide Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of MGLL derived from human PC3 cell lysates preincubated for 30 mins followed by JW912 addition after 30 mins by gel-based ABPP assay


J Med Chem 61: 9062-9084 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00951
BindingDB Entry DOI: 10.7270/Q2TH8QZH
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM50503342
PNG
(CHEMBL4436074)
Show SMILES CS(=O)(=O)c1ccc(CN2CCN(CC2)C(=O)OC(C(F)(F)F)C(F)(F)F)c(c1)N1CCCC1
Show InChI InChI=1S/C20H25F6N3O4S/c1-34(31,32)15-5-4-14(16(12-15)28-6-2-3-7-28)13-27-8-10-29(11-9-27)18(30)33-17(19(21,22)23)20(24,25)26/h4-5,12,17H,2-3,6-11,13H2,1H3
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n/an/a 11n/an/an/an/an/an/a



Abide Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of MGLL derived from human PC3 cell lysates preincubated for 30 mins followed by JW912 addition after 30 mins by gel-based ABPP assay


J Med Chem 61: 9062-9084 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00951
BindingDB Entry DOI: 10.7270/Q2TH8QZH
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM179938
PNG
(US9133148, 2b)
Show SMILES FC(F)(F)C(OC(=O)N1CCN(CC1)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1)C(F)(F)F
Show InChI InChI=1S/C21H18Cl2F6N2O2/c22-15-5-1-13(2-6-15)17(14-3-7-16(23)8-4-14)30-9-11-31(12-10-30)19(32)33-18(20(24,25)26)21(27,28)29/h1-8,17-18H,9-12H2
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n/an/a 12n/an/an/an/an/an/a



Abide Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of MGLL derived from human PC3 cell lysates preincubated for 30 mins followed by JW912 addition after 30 mins by gel-based ABPP assay


J Med Chem 61: 9062-9084 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00951
BindingDB Entry DOI: 10.7270/Q2TH8QZH
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM50503344
PNG
(CHEMBL4439400)
Show SMILES [H][C@]12CC[C@]([H])(COC1)N2c1cc(ccc1CN1CCN(CC1)C(=O)OC(C(F)(F)F)C(F)(F)F)C(F)(F)F |r|
Show InChI InChI=1S/C22H24F9N3O3/c23-20(24,25)14-2-1-13(17(9-14)34-15-3-4-16(34)12-36-11-15)10-32-5-7-33(8-6-32)19(35)37-18(21(26,27)28)22(29,30)31/h1-2,9,15-16,18H,3-8,10-12H2/t15-,16+
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n/an/a 12n/an/an/an/an/an/a



Abide Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of MGLL derived from human PC3 cell lysates preincubated for 30 mins followed by JW912 addition after 30 mins by gel-based ABPP assay


J Med Chem 61: 9062-9084 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00951
BindingDB Entry DOI: 10.7270/Q2TH8QZH
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM50270862
PNG
(6-Phenylhexylcarbamic Acid Biphenyl-3-yl Ester | C...)
Show SMILES O=C(NCCCCCCc1ccccc1)Oc1cccc(c1)-c1ccccc1
Show InChI InChI=1S/C25H27NO2/c27-25(26-19-10-2-1-5-12-21-13-6-3-7-14-21)28-24-18-11-17-23(20-24)22-15-8-4-9-16-22/h3-4,6-9,11,13-18,20H,1-2,5,10,12,19H2,(H,26,27)
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n/an/a 12.9n/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Displacement of [3H]-anandamide from rat brain FAAH after 30 mins by scintillation counting


Eur J Med Chem 46: 4466-73 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.021
BindingDB Entry DOI: 10.7270/Q2FB546B
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM50270862
PNG
(6-Phenylhexylcarbamic Acid Biphenyl-3-yl Ester | C...)
Show SMILES O=C(NCCCCCCc1ccccc1)Oc1cccc(c1)-c1ccccc1
Show InChI InChI=1S/C25H27NO2/c27-25(26-19-10-2-1-5-12-21-13-6-3-7-14-21)28-24-18-11-17-23(20-24)22-15-8-4-9-16-22/h3-4,6-9,11,13-18,20H,1-2,5,10,12,19H2,(H,26,27)
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n/an/a 13n/an/an/an/an/an/a



Università degli Studi di Parma

Curated by ChEMBL


Assay Description
Inhibition of FAAH in rat brain membrane assessed as [3H]anandamide hydrolysis


J Med Chem 51: 3487-98 (2008)


Article DOI: 10.1021/jm701631z
BindingDB Entry DOI: 10.7270/Q2TM79W9
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Mus musculus (mouse))
BDBM50503333
PNG
(CHEMBL4539731)
Show SMILES [H][C@]12CC[C@]([H])(CN(C1)c1cc(ccc1CN1CCN(CC1)C(=O)OC(C(F)(F)F)C(F)(F)F)C(F)(F)F)O2 |r|
Show InChI InChI=1S/C22H24F9N3O3/c23-20(24,25)14-2-1-13(17(9-14)34-11-15-3-4-16(12-34)36-15)10-32-5-7-33(8-6-32)19(35)37-18(21(26,27)28)22(29,30)31/h1-2,9,15-16,18H,3-8,10-12H2/t15-,16+
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Abide Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of MGLL derived from mouse brain homogenates preincubated for 30 mins followed by JW912 addition after 30 mins by gel-based ABPP assay


J Med Chem 61: 9062-9084 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00951
BindingDB Entry DOI: 10.7270/Q2TH8QZH
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM180052
PNG
(US9133148, 9aq)
Show SMILES FC(F)(F)C(OC(=O)N1CCN(Cc2ccc(cc2N2CCCC2)C(F)(F)F)CC1)C(F)(F)F
Show InChI InChI=1S/C20H22F9N3O2/c21-18(22,23)14-4-3-13(15(11-14)31-5-1-2-6-31)12-30-7-9-32(10-8-30)17(33)34-16(19(24,25)26)20(27,28)29/h3-4,11,16H,1-2,5-10,12H2
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n/an/a 14n/an/an/an/an/an/a



Abide Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of MGLL derived from human PC3 cell lysates preincubated for 30 mins followed by JW912 addition after 30 mins by gel-based ABPP assay


J Med Chem 61: 9062-9084 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00951
BindingDB Entry DOI: 10.7270/Q2TH8QZH
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Mus musculus (mouse))
BDBM50503331
PNG
(CHEMBL4522687)
Show SMILES O[C@H]1CCN(C1)c1cc(ccc1CN1CCN(CC1)C(=O)OC(C(F)(F)F)C(F)(F)F)C(F)(F)F |r|
Show InChI InChI=1S/C20H22F9N3O3/c21-18(22,23)13-2-1-12(15(9-13)32-4-3-14(33)11-32)10-30-5-7-31(8-6-30)17(34)35-16(19(24,25)26)20(27,28)29/h1-2,9,14,16,33H,3-8,10-11H2/t14-/m0/s1
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n/an/a 15n/an/an/an/an/an/a



Abide Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of MGLL derived from mouse brain homogenates preincubated for 30 mins followed by JW912 addition after 30 mins by gel-based ABPP assay


J Med Chem 61: 9062-9084 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00951
BindingDB Entry DOI: 10.7270/Q2TH8QZH
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM50503337
PNG
(CHEMBL4517565)
Show SMILES FC(F)(F)C(OC(=O)N1CCN(Cc2ccc(Cl)cc2N2CC3CCC(C2)O3)CC1)C(F)(F)F
Show InChI InChI=1S/C21H24ClF6N3O3/c22-14-2-1-13(17(9-14)31-11-15-3-4-16(12-31)33-15)10-29-5-7-30(8-6-29)19(32)34-18(20(23,24)25)21(26,27)28/h1-2,9,15-16,18H,3-8,10-12H2
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n/an/a 15n/an/an/an/an/an/a



Abide Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of MGLL derived from human PC3 cell lysates preincubated for 30 mins followed by JW912 addition after 30 mins by gel-based ABPP assay


J Med Chem 61: 9062-9084 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00951
BindingDB Entry DOI: 10.7270/Q2TH8QZH
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Mus musculus (mouse))
BDBM50503334
PNG
(CHEMBL4468639)
Show SMILES FCCN1CCN(CC1)c1cc(Cl)ccc1CN1CCN(CC1)C(=O)OC(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C21H26ClF7N4O2/c22-16-2-1-15(17(13-16)32-9-5-30(4-3-23)6-10-32)14-31-7-11-33(12-8-31)19(34)35-18(20(24,25)26)21(27,28)29/h1-2,13,18H,3-12,14H2
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Abide Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of MGLL derived from mouse brain homogenates preincubated for 30 mins followed by JW912 addition after 30 mins by gel-based ABPP assay


J Med Chem 61: 9062-9084 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00951
BindingDB Entry DOI: 10.7270/Q2TH8QZH
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM50503345
PNG
(CHEMBL4550205)
Show SMILES FC(F)(F)C(OC(=O)N1CCN(Cc2ccc(cc2N2CCCCC2)C(F)(F)F)CC1)C(F)(F)F
Show InChI InChI=1S/C21H24F9N3O2/c22-19(23,24)15-5-4-14(16(12-15)32-6-2-1-3-7-32)13-31-8-10-33(11-9-31)18(34)35-17(20(25,26)27)21(28,29)30/h4-5,12,17H,1-3,6-11,13H2
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Abide Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of MGLL derived from human PC3 cell lysates preincubated for 30 mins followed by JW912 addition after 30 mins by gel-based ABPP assay


J Med Chem 61: 9062-9084 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00951
BindingDB Entry DOI: 10.7270/Q2TH8QZH
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM180033
PNG
(US9133148, 9x)
Show SMILES FC(F)(F)C(OC(=O)N1CCN(Cc2ccc(Br)cc2N2CCCC2)CC1)C(F)(F)F
Show InChI InChI=1S/C19H22BrF6N3O2/c20-14-4-3-13(15(11-14)28-5-1-2-6-28)12-27-7-9-29(10-8-27)17(30)31-16(18(21,22)23)19(24,25)26/h3-4,11,16H,1-2,5-10,12H2
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Abide Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of MGLL derived from human PC3 cell lysates preincubated for 30 mins followed by JW912 addition after 30 mins by gel-based ABPP assay


J Med Chem 61: 9062-9084 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00951
BindingDB Entry DOI: 10.7270/Q2TH8QZH
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Mus musculus (mouse))
BDBM50503340
PNG
(CHEMBL4468636)
Show SMILES FC(F)(F)C(OC(=O)N1CCN(Cc2ccc(cc2N2CC3COCC3C2)C(F)(F)F)CC1)C(F)(F)F
Show InChI InChI=1S/C22H24F9N3O3/c23-20(24,25)16-2-1-13(17(7-16)34-9-14-11-36-12-15(14)10-34)8-32-3-5-33(6-4-32)19(35)37-18(21(26,27)28)22(29,30)31/h1-2,7,14-15,18H,3-6,8-12H2
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Abide Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of MGLL derived from mouse brain homogenates preincubated for 30 mins followed by JW912 addition after 30 mins by gel-based ABPP assay


J Med Chem 61: 9062-9084 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00951
BindingDB Entry DOI: 10.7270/Q2TH8QZH
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM180029
PNG
(US9133148, 9t)
Show SMILES FC(F)(F)C(OC(=O)N1CCN(Cc2ccc(Cl)cc2N2CCOCC2)CC1)C(F)(F)F
Show InChI InChI=1S/C19H22ClF6N3O3/c20-14-2-1-13(15(11-14)28-7-9-31-10-8-28)12-27-3-5-29(6-4-27)17(30)32-16(18(21,22)23)19(24,25)26/h1-2,11,16H,3-10,12H2
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n/an/a 18n/an/an/an/an/an/a



Abide Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of MGLL derived from human PC3 cell lysates preincubated for 30 mins followed by JW912 addition after 30 mins by gel-based ABPP assay


J Med Chem 61: 9062-9084 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00951
BindingDB Entry DOI: 10.7270/Q2TH8QZH
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM180076
PNG
(US9133148, 10e)
Show SMILES Cn1cc(CN2CCN(CC2)C(=O)OC(C(F)(F)F)C(F)(F)F)c(n1)-c1ccccc1
Show InChI InChI=1S/C19H20F6N4O2/c1-27-11-14(15(26-27)13-5-3-2-4-6-13)12-28-7-9-29(10-8-28)17(30)31-16(18(20,21)22)19(23,24)25/h2-6,11,16H,7-10,12H2,1H3
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n/an/a 20n/an/an/an/an/an/a



Abide Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of MGLL derived from human PC3 cell lysates preincubated for 30 mins followed by JW912 addition after 30 mins by gel-based ABPP assay


J Med Chem 61: 9062-9084 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00951
BindingDB Entry DOI: 10.7270/Q2TH8QZH
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM108250
PNG
(3‐(3‐carbamoylphenyl)‐4‐me...)
Show SMILES Cc1ccc(OC(=O)NC2CCCCC2)cc1-c1cccc(c1)C(N)=O
Show InChI InChI=1S/C21H24N2O3/c1-14-10-11-18(26-21(25)23-17-8-3-2-4-9-17)13-19(14)15-6-5-7-16(12-15)20(22)24/h5-7,10-13,17H,2-4,8-9H2,1H3,(H2,22,24)(H,23,25)
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n/an/a 20.5n/an/an/an/an/an/a



The Regents of the University of California; Universita Degli Studi Di Parma; Universita Degli Studi Di Urbino

US Patent


Assay Description
The assays for compounds described herein are amenable to high throughput screening. Preferred assays thus detect binding of the inhibitor to FAAH or...


US Patent US9187413 (2015)


BindingDB Entry DOI: 10.7270/Q2FQ9VD1
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Mus musculus (mouse))
BDBM50503335
PNG
(CHEMBL4450649)
Show SMILES FC(F)(F)C(OC(=O)N1CCN(Cc2ccc(cc2N2CCC3(C2)CCOCC3)C(F)(F)F)CC1)C(F)(F)F
Show InChI InChI=1S/C24H28F9N3O3/c25-22(26,27)17-2-1-16(18(13-17)36-6-3-21(15-36)4-11-38-12-5-21)14-34-7-9-35(10-8-34)20(37)39-19(23(28,29)30)24(31,32)33/h1-2,13,19H,3-12,14-15H2
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Abide Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of MGLL derived from mouse brain homogenates preincubated for 30 mins followed by JW912 addition after 30 mins by gel-based ABPP assay


J Med Chem 61: 9062-9084 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00951
BindingDB Entry DOI: 10.7270/Q2TH8QZH
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM50503338
PNG
(CHEMBL4584757)
Show SMILES FC(F)(F)C(OC(=O)N1CCN(Cc2ccc(Cl)cc2)CC1)C(F)(F)F
Show InChI InChI=1S/C15H15ClF6N2O2/c16-11-3-1-10(2-4-11)9-23-5-7-24(8-6-23)13(25)26-12(14(17,18)19)15(20,21)22/h1-4,12H,5-9H2
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Abide Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of MGLL derived from human PC3 cell lysates preincubated for 30 mins followed by JW912 addition after 30 mins by gel-based ABPP assay


J Med Chem 61: 9062-9084 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00951
BindingDB Entry DOI: 10.7270/Q2TH8QZH
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Mus musculus (mouse))
BDBM180012
PNG
(US9133148, 9c)
Show SMILES FC(F)(F)C(OC(=O)N1CCN(Cc2ccc(cc2N2CCOCC2)C(F)(F)F)CC1)C(F)(F)F
Show InChI InChI=1S/C20H22F9N3O3/c21-18(22,23)14-2-1-13(15(11-14)31-7-9-34-10-8-31)12-30-3-5-32(6-4-30)17(33)35-16(19(24,25)26)20(27,28)29/h1-2,11,16H,3-10,12H2
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Abide Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of MGLL derived from mouse brain homogenates preincubated for 30 mins followed by JW912 addition after 30 mins by gel-based ABPP assay


J Med Chem 61: 9062-9084 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00951
BindingDB Entry DOI: 10.7270/Q2TH8QZH
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM50503329
PNG
(CHEMBL4546592)
Show SMILES CN1CC2CN(CC2C1)c1cc(ccc1CN1CCN(CC1)C(=O)OC(C(F)(F)F)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C23H27F9N4O2/c1-33-9-15-12-36(13-16(15)10-33)18-8-17(21(24,25)26)3-2-14(18)11-34-4-6-35(7-5-34)20(37)38-19(22(27,28)29)23(30,31)32/h2-3,8,15-16,19H,4-7,9-13H2,1H3
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Abide Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of MGLL derived from human PC3 cell lysates preincubated for 30 mins followed by JW912 addition after 30 mins by gel-based ABPP assay


J Med Chem 61: 9062-9084 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00951
BindingDB Entry DOI: 10.7270/Q2TH8QZH
More data for this
Ligand-Target Pair
Platelet-activating factor acetylhydrolase


(Homo sapiens (Human))
BDBM179948
PNG
(US9133148, 2l)
Show SMILES FC(F)(F)C(OC(=O)N1CCN(CC1)C(c1cccnc1)c1cccnc1)C(F)(F)F
Show InChI InChI=1S/C19H18F6N4O2/c20-18(21,22)16(19(23,24)25)31-17(30)29-9-7-28(8-10-29)15(13-3-1-5-26-11-13)14-4-2-6-27-12-14/h1-6,11-12,15-16H,7-10H2
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n/an/a 26n/an/an/an/an/an/a



Abide Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of PLA2G7 derived from human PC3 cell lysates preincubated for 30 mins followed by JW912 addition after 30 mins by gel-based ABPP assay


J Med Chem 61: 9062-9084 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00951
BindingDB Entry DOI: 10.7270/Q2TH8QZH
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM50437227
PNG
(CHEMBL2402927 | US9187413, 1b (URB937))
Show SMILES NC(=O)c1cccc(c1)-c1cc(OC(=O)NC2CCCCC2)ccc1O
Show InChI InChI=1S/C20H22N2O4/c21-19(24)14-6-4-5-13(11-14)17-12-16(9-10-18(17)23)26-20(25)22-15-7-2-1-3-8-15/h4-6,9-12,15,23H,1-3,7-8H2,(H2,21,24)(H,22,25)
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n/an/a 26.8n/an/an/an/an/an/a



The Regents of the University of California; Universita Degli Studi Di Parma; Universita Degli Studi Di Urbino

US Patent


Assay Description
The assays for compounds described herein are amenable to high throughput screening. Preferred assays thus detect binding of the inhibitor to FAAH or...


US Patent US9187413 (2015)


BindingDB Entry DOI: 10.7270/Q2FQ9VD1
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Mus musculus (mouse))
BDBM180035
PNG
(US9133148, 9z)
Show SMILES FC(F)(F)C(OC(=O)N1CCN(Cc2ccc(Cl)cc2N2CCCC2)CC1)C(F)(F)F
Show InChI InChI=1S/C19H22ClF6N3O2/c20-14-4-3-13(15(11-14)28-5-1-2-6-28)12-27-7-9-29(10-8-27)17(30)31-16(18(21,22)23)19(24,25)26/h3-4,11,16H,1-2,5-10,12H2
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Abide Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of MGLL derived from mouse brain homogenates preincubated for 30 mins followed by JW912 addition after 30 mins by gel-based ABPP assay


J Med Chem 61: 9062-9084 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00951
BindingDB Entry DOI: 10.7270/Q2TH8QZH
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Mus musculus (mouse))
BDBM180052
PNG
(US9133148, 9aq)
Show SMILES FC(F)(F)C(OC(=O)N1CCN(Cc2ccc(cc2N2CCCC2)C(F)(F)F)CC1)C(F)(F)F
Show InChI InChI=1S/C20H22F9N3O2/c21-18(22,23)14-4-3-13(15(11-14)31-5-1-2-6-31)12-30-7-9-32(10-8-30)17(33)34-16(19(24,25)26)20(27,28)29/h3-4,11,16H,1-2,5-10,12H2
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Abide Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of MGLL derived from mouse brain homogenates preincubated for 30 mins followed by JW912 addition after 30 mins by gel-based ABPP assay


J Med Chem 61: 9062-9084 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00951
BindingDB Entry DOI: 10.7270/Q2TH8QZH
More data for this
Ligand-Target Pair
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