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PubMed code 23287055

Compile data set for download or QSAR
Found 20 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50425557
PNG
(CHEMBL2313948)
Show SMILES C[C@@H](OC(=O)CCCc1ccccc1)[C@@H]1CN(C(=O)OCC=C)C1=O |r|
Show InChI InChI=1S/C19H23NO5/c1-3-12-24-19(23)20-13-16(18(20)22)14(2)25-17(21)11-7-10-15-8-5-4-6-9-15/h3-6,8-9,14,16H,1,7,10-13H2,2H3/t14-,16+/m1/s1
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n/an/a 3.70n/an/an/an/an/an/a



Universit£ catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FAAH-mediated [3H]AEA hydrolysis after 10 mins by liquid scintillation assay


Eur J Med Chem 60: 101-11 (2013)


Article DOI: 10.1016/j.ejmech.2012.11.035
BindingDB Entry DOI: 10.7270/Q28C9XJN
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50393236
PNG
(CHEMBL2151432)
Show SMILES C[C@@H](OC(=O)CCCc1ccccc1)[C@@H]1CN(C(=O)CCC=C)C1=O |r|
Show InChI InChI=1S/C20H25NO4/c1-3-4-12-18(22)21-14-17(20(21)24)15(2)25-19(23)13-8-11-16-9-6-5-7-10-16/h3,5-7,9-10,15,17H,1,4,8,11-14H2,2H3/t15-,17+/m1/s1
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n/an/a 5.30n/an/an/an/an/an/a



Universit£ catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FAAH-mediated [3H]AEA hydrolysis after 10 mins by liquid scintillation assay


Eur J Med Chem 60: 101-11 (2013)


Article DOI: 10.1016/j.ejmech.2012.11.035
BindingDB Entry DOI: 10.7270/Q28C9XJN
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50425556
PNG
(CHEMBL2313949)
Show SMILES C[C@@H](OC(=O)CCCc1ccccc1)[C@@H]1CN(C(=O)NCC=C)C1=O |r|
Show InChI InChI=1S/C19H24N2O4/c1-3-12-20-19(24)21-13-16(18(21)23)14(2)25-17(22)11-7-10-15-8-5-4-6-9-15/h3-6,8-9,14,16H,1,7,10-13H2,2H3,(H,20,24)/t14-,16+/m1/s1
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n/an/a 5.60n/an/an/an/an/an/a



Universit£ catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FAAH-mediated [3H]AEA hydrolysis after 10 mins by liquid scintillation assay


Eur J Med Chem 60: 101-11 (2013)


Article DOI: 10.1016/j.ejmech.2012.11.035
BindingDB Entry DOI: 10.7270/Q28C9XJN
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50425560
PNG
(CHEMBL2313951)
Show SMILES CCCSC(=O)N1C[C@@H]([C@@H](C)OC(=O)CCCc2ccccc2)C1=O |r|
Show InChI InChI=1S/C19H25NO4S/c1-3-12-25-19(23)20-13-16(18(20)22)14(2)24-17(21)11-7-10-15-8-5-4-6-9-15/h4-6,8-9,14,16H,3,7,10-13H2,1-2H3/t14-,16+/m1/s1
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n/an/a 12n/an/an/an/an/an/a



Universit£ catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FAAH-mediated [3H]AEA hydrolysis after 10 mins by liquid scintillation assay


Eur J Med Chem 60: 101-11 (2013)


Article DOI: 10.1016/j.ejmech.2012.11.035
BindingDB Entry DOI: 10.7270/Q28C9XJN
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50425564
PNG
(CHEMBL2313944)
Show SMILES C[C@@H](OC(=O)NCCc1ccccc1)[C@@H]1CN(C(=O)OCC=C)C1=O |r|
Show InChI InChI=1S/C18H22N2O5/c1-3-11-24-18(23)20-12-15(16(20)21)13(2)25-17(22)19-10-9-14-7-5-4-6-8-14/h3-8,13,15H,1,9-12H2,2H3,(H,19,22)/t13-,15+/m1/s1
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n/an/a 12n/an/an/an/an/an/a



Universit£ catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FAAH-mediated [3H]AEA hydrolysis after 10 mins by liquid scintillation assay


Eur J Med Chem 60: 101-11 (2013)


Article DOI: 10.1016/j.ejmech.2012.11.035
BindingDB Entry DOI: 10.7270/Q28C9XJN
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50425563
PNG
(CHEMBL2313945)
Show SMILES C[C@@H](OC(=O)NCCc1ccccc1)[C@@H]1CN(C(=O)NCC=C)C1=O |r|
Show InChI InChI=1S/C18H23N3O4/c1-3-10-19-17(23)21-12-15(16(21)22)13(2)25-18(24)20-11-9-14-7-5-4-6-8-14/h3-8,13,15H,1,9-12H2,2H3,(H,19,23)(H,20,24)/t13-,15+/m1/s1
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n/an/a 29n/an/an/an/an/an/a



Universit£ catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FAAH-mediated [3H]AEA hydrolysis after 10 mins by liquid scintillation assay


Eur J Med Chem 60: 101-11 (2013)


Article DOI: 10.1016/j.ejmech.2012.11.035
BindingDB Entry DOI: 10.7270/Q28C9XJN
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50425566
PNG
(CHEMBL2313940)
Show SMILES C[C@@H](OC(=O)COCc1ccccc1)[C@@H]1CN(C(=O)OCC=C)C1=O |r|
Show InChI InChI=1S/C18H21NO6/c1-3-9-24-18(22)19-10-15(17(19)21)13(2)25-16(20)12-23-11-14-7-5-4-6-8-14/h3-8,13,15H,1,9-12H2,2H3/t13-,15+/m1/s1
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n/an/a 30n/an/an/an/an/an/a



Universit£ catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FAAH-mediated [3H]AEA hydrolysis after 10 mins by liquid scintillation assay


Eur J Med Chem 60: 101-11 (2013)


Article DOI: 10.1016/j.ejmech.2012.11.035
BindingDB Entry DOI: 10.7270/Q28C9XJN
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50425567
PNG
(CHEMBL2313952)
Show SMILES C[C@@H](OC(=O)COCc1ccccc1)[C@@H]1CN(C(=O)CCC=C)C1=O |r|
Show InChI InChI=1S/C19H23NO5/c1-3-4-10-17(21)20-11-16(19(20)23)14(2)25-18(22)13-24-12-15-8-6-5-7-9-15/h3,5-9,14,16H,1,4,10-13H2,2H3/t14-,16+/m1/s1
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n/an/a 31n/an/an/an/an/an/a



Universit£ catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FAAH-mediated [3H]AEA hydrolysis after 10 mins by liquid scintillation assay


Eur J Med Chem 60: 101-11 (2013)


Article DOI: 10.1016/j.ejmech.2012.11.035
BindingDB Entry DOI: 10.7270/Q28C9XJN
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50425565
PNG
(CHEMBL2313943)
Show SMILES C[C@@H](OC(=O)NCCc1ccccc1)[C@@H]1CN(C(=O)CCC=C)C1=O |r|
Show InChI InChI=1S/C19H24N2O4/c1-3-4-10-17(22)21-13-16(18(21)23)14(2)25-19(24)20-12-11-15-8-6-5-7-9-15/h3,5-9,14,16H,1,4,10-13H2,2H3,(H,20,24)/t14-,16+/m1/s1
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n/an/a 33n/an/an/an/an/an/a



Universit£ catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FAAH-mediated [3H]AEA hydrolysis after 10 mins by liquid scintillation assay


Eur J Med Chem 60: 101-11 (2013)


Article DOI: 10.1016/j.ejmech.2012.11.035
BindingDB Entry DOI: 10.7270/Q28C9XJN
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50425559
PNG
(CHEMBL2313941)
Show SMILES C[C@@H](OC(=O)COCc1ccccc1)[C@@H]1CN(C(=O)NCC=C)C1=O |r|
Show InChI InChI=1S/C18H22N2O5/c1-3-9-19-18(23)20-10-15(17(20)22)13(2)25-16(21)12-24-11-14-7-5-4-6-8-14/h3-8,13,15H,1,9-12H2,2H3,(H,19,23)/t13-,15+/m1/s1
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n/an/a 71n/an/an/an/an/an/a



Universit£ catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FAAH-mediated [3H]AEA hydrolysis after 10 mins by liquid scintillation assay


Eur J Med Chem 60: 101-11 (2013)


Article DOI: 10.1016/j.ejmech.2012.11.035
BindingDB Entry DOI: 10.7270/Q28C9XJN
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50425568
PNG
(CHEMBL2313950)
Show SMILES C[C@@H](OC(=O)CCCc1ccccc1)[C@@H]1CN(C(=S)NCC=C)C1=O |r|
Show InChI InChI=1S/C19H24N2O3S/c1-3-12-20-19(25)21-13-16(18(21)23)14(2)24-17(22)11-7-10-15-8-5-4-6-9-15/h3-6,8-9,14,16H,1,7,10-13H2,2H3,(H,20,25)/t14-,16+/m1/s1
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n/an/a 146n/an/an/an/an/an/a



Universit£ catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FAAH-mediated [3H]AEA hydrolysis after 10 mins by liquid scintillation assay


Eur J Med Chem 60: 101-11 (2013)


Article DOI: 10.1016/j.ejmech.2012.11.035
BindingDB Entry DOI: 10.7270/Q28C9XJN
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50425561
PNG
(CHEMBL2313947)
Show SMILES C[C@@H](OC(=O)CCCc1ccncc1)[C@@H]1CN(C(=O)CCC=C)C1=O |r|
Show InChI InChI=1S/C19H24N2O4/c1-3-4-7-17(22)21-13-16(19(21)24)14(2)25-18(23)8-5-6-15-9-11-20-12-10-15/h3,9-12,14,16H,1,4-8,13H2,2H3/t14-,16+/m1/s1
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n/an/a 310n/an/an/an/an/an/a



Universit£ catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FAAH-mediated [3H]AEA hydrolysis after 10 mins by liquid scintillation assay


Eur J Med Chem 60: 101-11 (2013)


Article DOI: 10.1016/j.ejmech.2012.11.035
BindingDB Entry DOI: 10.7270/Q28C9XJN
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50425562
PNG
(CHEMBL2313946)
Show SMILES C[C@@H](OC(=O)NCCc1ccccc1)[C@@H]1CN(C(=S)NCC=C)C1=O |r|
Show InChI InChI=1S/C18H23N3O3S/c1-3-10-19-17(25)21-12-15(16(21)22)13(2)24-18(23)20-11-9-14-7-5-4-6-8-14/h3-8,13,15H,1,9-12H2,2H3,(H,19,25)(H,20,23)/t13-,15+/m1/s1
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n/an/a 959n/an/an/an/an/an/a



Universit£ catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FAAH-mediated [3H]AEA hydrolysis after 10 mins by liquid scintillation assay


Eur J Med Chem 60: 101-11 (2013)


Article DOI: 10.1016/j.ejmech.2012.11.035
BindingDB Entry DOI: 10.7270/Q28C9XJN
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50425558
PNG
(CHEMBL2313942)
Show SMILES C[C@@H](OC(=O)COCc1ccccc1)[C@@H]1CN(C(=S)NCC=C)C1=O |r|
Show InChI InChI=1S/C18H22N2O4S/c1-3-9-19-18(25)20-10-15(17(20)22)13(2)24-16(21)12-23-11-14-7-5-4-6-8-14/h3-8,13,15H,1,9-12H2,2H3,(H,19,25)/t13-,15+/m1/s1
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n/an/a 1.04E+3n/an/an/an/an/an/a



Universit£ catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FAAH-mediated [3H]AEA hydrolysis after 10 mins by liquid scintillation assay


Eur J Med Chem 60: 101-11 (2013)


Article DOI: 10.1016/j.ejmech.2012.11.035
BindingDB Entry DOI: 10.7270/Q28C9XJN
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM50393236
PNG
(CHEMBL2151432)
Show SMILES C[C@@H](OC(=O)CCCc1ccccc1)[C@@H]1CN(C(=O)CCC=C)C1=O |r|
Show InChI InChI=1S/C20H25NO4/c1-3-4-12-18(22)21-14-17(20(21)24)15(2)25-19(23)13-8-11-16-9-6-5-7-10-16/h3,5-7,9-10,15,17H,1,4,8,11-14H2,2H3/t15-,17+/m1/s1
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n/an/a 4.06E+3n/an/an/an/an/a25



Universit£ catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAGL using [3H]-2-OG as substrate incubated for 30 mins at room temperature followed by incubation at 37 degC for 10 ...


Eur J Med Chem 60: 101-11 (2013)


Article DOI: 10.1016/j.ejmech.2012.11.035
BindingDB Entry DOI: 10.7270/Q28C9XJN
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM50425557
PNG
(CHEMBL2313948)
Show SMILES C[C@@H](OC(=O)CCCc1ccccc1)[C@@H]1CN(C(=O)OCC=C)C1=O |r|
Show InChI InChI=1S/C19H23NO5/c1-3-12-24-19(23)20-13-16(18(20)22)14(2)25-17(21)11-7-10-15-8-5-4-6-9-15/h3-6,8-9,14,16H,1,7,10-13H2,2H3/t14-,16+/m1/s1
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n/an/a 1.03E+4n/an/an/an/an/a25



Universit£ catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAGL using [3H]-2-OG as substrate incubated for 30 mins at room temperature followed by incubation at 37 degC for 10 ...


Eur J Med Chem 60: 101-11 (2013)


Article DOI: 10.1016/j.ejmech.2012.11.035
BindingDB Entry DOI: 10.7270/Q28C9XJN
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM50425560
PNG
(CHEMBL2313951)
Show SMILES CCCSC(=O)N1C[C@@H]([C@@H](C)OC(=O)CCCc2ccccc2)C1=O |r|
Show InChI InChI=1S/C19H25NO4S/c1-3-12-25-19(23)20-13-16(18(20)22)14(2)24-17(21)11-7-10-15-8-5-4-6-9-15/h4-6,8-9,14,16H,3,7,10-13H2,1-2H3/t14-,16+/m1/s1
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n/an/a 1.90E+4n/an/an/an/an/a25



Universit£ catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAGL using [3H]-2-OG as substrate incubated for 30 mins at room temperature followed by incubation at 37 degC for 10 ...


Eur J Med Chem 60: 101-11 (2013)


Article DOI: 10.1016/j.ejmech.2012.11.035
BindingDB Entry DOI: 10.7270/Q28C9XJN
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM50425559
PNG
(CHEMBL2313941)
Show SMILES C[C@@H](OC(=O)COCc1ccccc1)[C@@H]1CN(C(=O)NCC=C)C1=O |r|
Show InChI InChI=1S/C18H22N2O5/c1-3-9-19-18(23)20-10-15(17(20)22)13(2)25-16(21)12-24-11-14-7-5-4-6-8-14/h3-8,13,15H,1,9-12H2,2H3,(H,19,23)/t13-,15+/m1/s1
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n/an/a 5.69E+4n/an/an/an/an/a25



Universit£ catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAGL using [3H]-2-OG as substrate incubated for 30 mins at room temperature followed by incubation at 37 degC for 10 ...


Eur J Med Chem 60: 101-11 (2013)


Article DOI: 10.1016/j.ejmech.2012.11.035
BindingDB Entry DOI: 10.7270/Q28C9XJN
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM50425556
PNG
(CHEMBL2313949)
Show SMILES C[C@@H](OC(=O)CCCc1ccccc1)[C@@H]1CN(C(=O)NCC=C)C1=O |r|
Show InChI InChI=1S/C19H24N2O4/c1-3-12-20-19(24)21-13-16(18(21)23)14(2)25-17(22)11-7-10-15-8-5-4-6-9-15/h3-6,8-9,14,16H,1,7,10-13H2,2H3,(H,20,24)/t14-,16+/m1/s1
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n/an/a 9.84E+4n/an/an/an/an/a25



Universit£ catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAGL using [3H]-2-OG as substrate incubated for 30 mins at room temperature followed by incubation at 37 degC for 10 ...


Eur J Med Chem 60: 101-11 (2013)


Article DOI: 10.1016/j.ejmech.2012.11.035
BindingDB Entry DOI: 10.7270/Q28C9XJN
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM50425558
PNG
(CHEMBL2313942)
Show SMILES C[C@@H](OC(=O)COCc1ccccc1)[C@@H]1CN(C(=S)NCC=C)C1=O |r|
Show InChI InChI=1S/C18H22N2O4S/c1-3-9-19-18(25)20-10-15(17(20)22)13(2)24-16(21)12-23-11-14-7-5-4-6-8-14/h3-8,13,15H,1,9-12H2,2H3,(H,19,25)/t13-,15+/m1/s1
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n/an/a 1.22E+5n/an/an/an/an/a25



Universit£ catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAGL using [3H]-2-OG as substrate incubated for 30 mins at room temperature followed by incubation at 37 degC for 10 ...


Eur J Med Chem 60: 101-11 (2013)


Article DOI: 10.1016/j.ejmech.2012.11.035
BindingDB Entry DOI: 10.7270/Q28C9XJN
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%