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Compile Data Set for Download or QSAR

Found 426 hits with Last Name = 'hardouin' and Initial = 'c'   
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


(Rattus norvegicus (rat))
BDBM50163152
PNG
(1-Oxazolo[4,5-b]pyridin-2-yl-octadec-9-yn-1-one | ...)
Show SMILES CCCCCCCCC#CCCCCCCCC(=O)c1nc2ncccc2o1
Show InChI InChI=1S/C24H34N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21(27)24-26-23-22(28-24)19-17-20-25-23/h17,19-20H,2-8,11-16,18H2,1H3
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0.140n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibitory constant determined against recombinant Fatty-acid amide hydrolase from rat expressed in Escherichia coli


J Med Chem 48: 1849-56 (2005)


Article DOI: 10.1021/jm049614v
BindingDB Entry DOI: 10.7270/Q2Q52P54
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Mus musculus (mouse))
BDBM50161518
PNG
(1-(oxazolo[4,5-b]pyridin-2-yl)-6-phenylhexan-1-one...)
Show SMILES O=C(CCCCCc1ccccc1)c1nc2ncccc2o1
Show InChI InChI=1S/C18H18N2O2/c21-15(18-20-17-16(22-18)12-7-13-19-17)11-6-2-5-10-14-8-3-1-4-9-14/h1,3-4,7-9,12-13H,2,5-6,10-11H2
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0.200n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibitor affinity of the compound towards enzymes of class serine hydrolase was determined using biotin or fluorescent as radioligand (FP-biotin or ...


Bioorg Med Chem Lett 15: 1423-8 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.085
BindingDB Entry DOI: 10.7270/Q2PK0FNK
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50161518
PNG
(1-(oxazolo[4,5-b]pyridin-2-yl)-6-phenylhexan-1-one...)
Show SMILES O=C(CCCCCc1ccccc1)c1nc2ncccc2o1
Show InChI InChI=1S/C18H18N2O2/c21-15(18-20-17-16(22-18)12-7-13-19-17)11-6-2-5-10-14-8-3-1-4-9-14/h1,3-4,7-9,12-13H,2,5-6,10-11H2
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0.200n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibitory constant determined against recombinant Fatty-acid amide hydrolase from rat expressed in Escherichia coli


J Med Chem 48: 1849-56 (2005)


Article DOI: 10.1021/jm049614v
BindingDB Entry DOI: 10.7270/Q2Q52P54
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM23316
PNG
(7-phenyl-1-{pyrido[2,3-d][1,3]oxazol-2-yl}heptan-1...)
Show SMILES O=C(CCCCCCc1ccccc1)c1nc2ncccc2o1
Show InChI InChI=1S/C19H20N2O2/c22-16(19-21-18-17(23-19)13-8-14-20-18)12-7-2-1-4-9-15-10-5-3-6-11-15/h3,5-6,8,10-11,13-14H,1-2,4,7,9,12H2
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0.280n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibitory constant determined against recombinant Fatty-acid amide hydrolase from rat expressed in Escherichia coli


J Med Chem 48: 1849-56 (2005)


Article DOI: 10.1021/jm049614v
BindingDB Entry DOI: 10.7270/Q2Q52P54
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Mus musculus (mouse))
BDBM23316
PNG
(7-phenyl-1-{pyrido[2,3-d][1,3]oxazol-2-yl}heptan-1...)
Show SMILES O=C(CCCCCCc1ccccc1)c1nc2ncccc2o1
Show InChI InChI=1S/C19H20N2O2/c22-16(19-21-18-17(23-19)13-8-14-20-18)12-7-2-1-4-9-15-10-5-3-6-11-15/h3,5-6,8,10-11,13-14H,1-2,4,7,9,12H2
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0.280n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibitor affinity of the compound towards enzymes of class serine hydrolase was determined using biotin or fluorescent as radioligand (FP-biotin or ...


Bioorg Med Chem Lett 15: 1423-8 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.085
BindingDB Entry DOI: 10.7270/Q2PK0FNK
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Mus musculus (mouse))
BDBM50161528
PNG
(8-Phenyl-1-(5-pyridin-2-yl-[1,3,4]oxadiazol-2-yl)-...)
Show SMILES O=C(CCCCCCCc1ccccc1)c1nnc(o1)-c1ccco1
Show InChI InChI=1S/C20H22N2O3/c23-17(19-21-22-20(25-19)18-14-9-15-24-18)13-8-3-1-2-5-10-16-11-6-4-7-12-16/h4,6-7,9,11-12,14-15H,1-3,5,8,10,13H2
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0.290n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibitor affinity of the compound towards enzymes of class serine hydrolase was determined using biotin or fluorescent as radioligand (FP-biotin or ...


Bioorg Med Chem Lett 15: 1423-8 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.085
BindingDB Entry DOI: 10.7270/Q2PK0FNK
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Mus musculus (mouse))
BDBM50161512
PNG
(7-Phenyl-1-(5-(pyridin-2-yl)-1,3,4-oxadiazol-2-yl)...)
Show SMILES O=C(CCCCCCc1ccccc1)c1nnc(o1)-c1ccccn1
Show InChI InChI=1S/C20H21N3O2/c24-18(14-7-2-1-4-10-16-11-5-3-6-12-16)20-23-22-19(25-20)17-13-8-9-15-21-17/h3,5-6,8-9,11-13,15H,1-2,4,7,10,14H2
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0.290n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibitor affinity of the compound towards enzymes of class serine hydrolase was determined using biotin or fluorescent as radioligand (FP-biotin or ...


Bioorg Med Chem Lett 15: 1423-8 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.085
BindingDB Entry DOI: 10.7270/Q2PK0FNK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Fatty Acid Amide Hydrolase


(Homo sapiens (Human))
BDBM23079
PNG
(3-[4-(benzyloxy)phenyl]-1-{pyrido[2,3-d][1,3]oxazo...)
Show SMILES O=C(CCc1ccc(OCc2ccccc2)cc1)c1nc2ncccc2o1
Show InChI InChI=1S/C22H18N2O3/c25-19(22-24-21-20(27-22)7-4-14-23-21)13-10-16-8-11-18(12-9-16)26-15-17-5-2-1-3-6-17/h1-9,11-12,14H,10,13,15H2
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0.380 -53.8 0.300n/an/an/an/an/a25



The Scripps Research Institute



Assay Description
The inhibition assays were performed by incubating enzyme, 14C-labeled oleamide in reaction buffer at room temperature in the presence of three diffe...


J Med Chem 50: 3359-68 (2007)


Article DOI: 10.1021/jm061414r
BindingDB Entry DOI: 10.7270/Q2DR2SSH
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Mus musculus (mouse))
BDBM50161520
PNG
(1-(oxazolo[4,5-b]pyridin-2-yl)-8-phenyloctan-1-one...)
Show SMILES O=C(CCCCCCCc1ccccc1)c1nc2ncccc2o1
Show InChI InChI=1S/C20H22N2O2/c23-17(20-22-19-18(24-20)14-9-15-21-19)13-8-3-1-2-5-10-16-11-6-4-7-12-16/h4,6-7,9,11-12,14-15H,1-3,5,8,10,13H2
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0.390n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibitor affinity of the compound towards enzymes of class serine hydrolase was determined using biotin or fluorescent as radioligand (FP-biotin or ...


Bioorg Med Chem Lett 15: 1423-8 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.085
BindingDB Entry DOI: 10.7270/Q2PK0FNK
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM23069
PNG
(3-[4-(benzyloxy)phenyl]-1-[5-(pyridin-2-yl)-1,3-ox...)
Show SMILES O=C(CCc1ccc(OCc2ccccc2)cc1)c1ncc(o1)-c1ccccn1
Show InChI InChI=1S/C24H20N2O3/c27-22(24-26-16-23(29-24)21-8-4-5-15-25-21)14-11-18-9-12-20(13-10-18)28-17-19-6-2-1-3-7-19/h1-10,12-13,15-16H,11,14,17H2
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0.450 -53.3n/an/an/an/an/an/a25



The Scripps Research Institute



Assay Description
The inhibition assays were performed by incubating enzyme, 14C-labeled oleamide in reaction buffer at room temperature in the presence of three diffe...


J Med Chem 50: 3359-68 (2007)


Article DOI: 10.1021/jm061414r
BindingDB Entry DOI: 10.7270/Q2DR2SSH
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Mus musculus (mouse))
BDBM50161525
PNG
(1-(oxazolo[4,5-b]pyridin-2-yl)-9-phenylnonan-1-one...)
Show SMILES O=C(CCCCCCCCc1ccccc1)c1nc2ncccc2o1
Show InChI InChI=1S/C21H24N2O2/c24-18(21-23-20-19(25-21)15-10-16-22-20)14-9-4-2-1-3-6-11-17-12-7-5-8-13-17/h5,7-8,10,12-13,15-16H,1-4,6,9,11,14H2
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0.520n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibitor affinity of the compound towards enzymes of class serine hydrolase was determined using biotin or fluorescent as radioligand (FP-biotin or ...


Bioorg Med Chem Lett 15: 1423-8 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.085
BindingDB Entry DOI: 10.7270/Q2PK0FNK
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Mus musculus (mouse))
BDBM50161511
PNG
(1-(5-(Furan-2-yl)-1,3,4-oxadiazol-2-yl)-heptan-1-o...)
Show SMILES O=C(CCCCCCc1ccccc1)c1nnc(o1)-c1ccco1
Show InChI InChI=1S/C19H20N2O3/c22-16(18-20-21-19(24-18)17-13-8-14-23-17)12-7-2-1-4-9-15-10-5-3-6-11-15/h3,5-6,8,10-11,13-14H,1-2,4,7,9,12H2
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0.560n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibitor affinity of the compound towards enzymes of class serine hydrolase was determined using biotin or fluorescent as radioligand (FP-biotin or ...


Bioorg Med Chem Lett 15: 1423-8 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.085
BindingDB Entry DOI: 10.7270/Q2PK0FNK
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM23079
PNG
(3-[4-(benzyloxy)phenyl]-1-{pyrido[2,3-d][1,3]oxazo...)
Show SMILES O=C(CCc1ccc(OCc2ccccc2)cc1)c1nc2ncccc2o1
Show InChI InChI=1S/C22H18N2O3/c25-19(22-24-21-20(27-22)7-4-14-23-21)13-10-16-8-11-18(12-9-16)26-15-17-5-2-1-3-6-17/h1-9,11-12,14H,10,13,15H2
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0.600 -52.6n/an/an/an/an/an/a25



The Scripps Research Institute



Assay Description
The inhibition assays were performed by incubating enzyme, 14C-labeled oleamide in reaction buffer at room temperature in the presence of three diffe...


J Med Chem 50: 3359-68 (2007)


Article DOI: 10.1021/jm061414r
BindingDB Entry DOI: 10.7270/Q2DR2SSH
More data for this
Ligand-Target Pair
Fatty Acid Amide Hydrolase


(Homo sapiens (Human))
BDBM23078
PNG
(3-(4-phenylphenyl)-1-[5-(pyridin-2-yl)-1,3-oxazol-...)
Show SMILES O=C(CCc1ccc(cc1)-c1ccccc1)c1ncc(o1)-c1ccccn1
Show InChI InChI=1S/C23H18N2O2/c26-21(23-25-16-22(27-23)20-8-4-5-15-24-20)14-11-17-9-12-19(13-10-17)18-6-2-1-3-7-18/h1-10,12-13,15-16H,11,14H2
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0.75 -52.1 0.700n/an/an/an/an/a25



The Scripps Research Institute



Assay Description
The inhibition assays were performed by incubating enzyme, 14C-labeled oleamide in reaction buffer at room temperature in the presence of three diffe...


J Med Chem 50: 3359-68 (2007)


Article DOI: 10.1021/jm061414r
BindingDB Entry DOI: 10.7270/Q2DR2SSH
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Mus musculus (mouse))
BDBM50161515
PNG
(8-phenyl-1-(5-(pyridin-2-yl)-1,3,4-oxadiazol-2-yl)...)
Show SMILES O=C(CCCCCCCc1ccccc1)c1nnc(o1)-c1ccccn1
Show InChI InChI=1S/C21H23N3O2/c25-19(21-24-23-20(26-21)18-14-9-10-16-22-18)15-8-3-1-2-5-11-17-12-6-4-7-13-17/h4,6-7,9-10,12-14,16H,1-3,5,8,11,15H2
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0.770n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibitor affinity of the compound towards enzymes of class serine hydrolase was determined using biotin or fluorescent as radioligand (FP-biotin or ...


Bioorg Med Chem Lett 15: 1423-8 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.085
BindingDB Entry DOI: 10.7270/Q2PK0FNK
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Mus musculus (mouse))
BDBM50161513
PNG
(7-Phenyl-1-(5-pyridin-2-yl-[1,3,4]oxadiazol-2-yl)-...)
Show SMILES O=C(CCCCCCCCc1ccccc1)c1nnc(o1)-c1ccccn1
Show InChI InChI=1S/C22H25N3O2/c26-20(22-25-24-21(27-22)19-15-10-11-17-23-19)16-9-4-2-1-3-6-12-18-13-7-5-8-14-18/h5,7-8,10-11,13-15,17H,1-4,6,9,12,16H2
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0.830n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibitor affinity of the compound towards enzymes of class serine hydrolase was determined using biotin or fluorescent as radioligand (FP-biotin or ...


Bioorg Med Chem Lett 15: 1423-8 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.085
BindingDB Entry DOI: 10.7270/Q2PK0FNK
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Mus musculus (mouse))
BDBM50161522
PNG
(6-Phenyl-1-(5-pyridin-2-yl-[1,3,4]oxadiazol-2-yl)-...)
Show SMILES O=C(CCCCCc1ccccc1)c1nnc(o1)-c1ccccn1
Show InChI InChI=1S/C19H19N3O2/c23-17(13-6-2-5-11-15-9-3-1-4-10-15)19-22-21-18(24-19)16-12-7-8-14-20-16/h1,3-4,7-10,12,14H,2,5-6,11,13H2
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0.850n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibitor affinity of the compound towards enzymes of class serine hydrolase was determined using biotin or fluorescent as radioligand (FP-biotin or ...


Bioorg Med Chem Lett 15: 1423-8 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.085
BindingDB Entry DOI: 10.7270/Q2PK0FNK
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Mus musculus (mouse))
BDBM50161513
PNG
(7-Phenyl-1-(5-pyridin-2-yl-[1,3,4]oxadiazol-2-yl)-...)
Show SMILES O=C(CCCCCCCCc1ccccc1)c1nnc(o1)-c1ccccn1
Show InChI InChI=1S/C22H25N3O2/c26-20(22-25-24-21(27-22)19-15-10-11-17-23-19)16-9-4-2-1-3-6-12-18-13-7-5-8-14-18/h5,7-8,10-11,13-15,17H,1-4,6,9,12,16H2
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0.850n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibitor affinity of the compound towards enzymes of class serine hydrolase was determined using biotin or fluorescent as radioligand (FP-biotin or ...


Bioorg Med Chem Lett 15: 1423-8 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.085
BindingDB Entry DOI: 10.7270/Q2PK0FNK
More data for this
Ligand-Target Pair
Fatty Acid Amide Hydrolase


(Homo sapiens (Human))
BDBM23061
PNG
(7-(3-chlorophenyl)-1-[5-(pyridin-2-yl)-1,3-oxazol-...)
Show SMILES Clc1cccc(CCCCCCC(=O)c2ncc(o2)-c2ccccn2)c1
Show InChI InChI=1S/C21H21ClN2O2/c22-17-10-7-9-16(14-17)8-3-1-2-4-12-19(25)21-24-15-20(26-21)18-11-5-6-13-23-18/h5-7,9-11,13-15H,1-4,8,12H2
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0.900 -51.6 2n/an/an/an/an/a25



The Scripps Research Institute



Assay Description
The inhibition assays were performed by incubating enzyme, 14C-labeled oleamide in reaction buffer at room temperature in the presence of three diffe...


J Med Chem 50: 3359-68 (2007)


Article DOI: 10.1021/jm061414r
BindingDB Entry DOI: 10.7270/Q2DR2SSH
More data for this
Ligand-Target Pair
Fatty Acid Amide Hydrolase


(Homo sapiens (Human))
BDBM23063
PNG
(7-(2,3-dichlorophenyl)-1-[5-(pyridin-2-yl)-1,3-oxa...)
Show SMILES Clc1cccc(CCCCCCC(=O)c2ncc(o2)-c2ccccn2)c1Cl
Show InChI InChI=1S/C21H20Cl2N2O2/c22-16-10-7-9-15(20(16)23)8-3-1-2-4-12-18(26)21-25-14-19(27-21)17-11-5-6-13-24-17/h5-7,9-11,13-14H,1-4,8,12H2
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0.900 -51.6 7n/an/an/an/an/a25



The Scripps Research Institute



Assay Description
The inhibition assays were performed by incubating enzyme, 14C-labeled oleamide in reaction buffer at room temperature in the presence of three diffe...


J Med Chem 50: 3359-68 (2007)


Article DOI: 10.1021/jm061414r
BindingDB Entry DOI: 10.7270/Q2DR2SSH
More data for this
Ligand-Target Pair
Fatty Acid Amide Hydrolase


(Homo sapiens (Human))
BDBM23055
PNG
(alpha-ketooxazole, 5aa | methyl 2-{7-oxo-7-[5-(pyr...)
Show SMILES COC(=O)c1ccccc1CCCCCCC(=O)c1ncc(o1)-c1ccccn1
Show InChI InChI=1S/C23H24N2O4/c1-28-23(27)18-12-7-6-11-17(18)10-4-2-3-5-14-20(26)22-25-16-21(29-22)19-13-8-9-15-24-19/h6-9,11-13,15-16H,2-5,10,14H2,1H3
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1 -50.9 0.400n/an/an/an/a9.022



The Scripps Research Institute



Assay Description
The inhibition assays were performed by incubating enzyme, 14C-labeled oleamide in reaction buffer at room temperature in the presence of three diffe...


J Med Chem 50: 3359-68 (2007)


Article DOI: 10.1021/jm061414r
BindingDB Entry DOI: 10.7270/Q2DR2SSH
More data for this
Ligand-Target Pair
Fatty Acid Amide Hydrolase


(Homo sapiens (Human))
BDBM23073
PNG
(3-[4-(phenoxymethyl)phenyl]-1-[5-(pyridin-2-yl)-1,...)
Show SMILES O=C(CCc1ccc(COc2ccccc2)cc1)c1ncc(o1)-c1ccccn1
Show InChI InChI=1S/C24H20N2O3/c27-22(24-26-16-23(29-24)21-8-4-5-15-25-21)14-13-18-9-11-19(12-10-18)17-28-20-6-2-1-3-7-20/h1-12,15-16H,13-14,17H2
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1 -51.4 2n/an/an/an/an/a25



The Scripps Research Institute



Assay Description
The inhibition assays were performed by incubating enzyme, 14C-labeled oleamide in reaction buffer at room temperature in the presence of three diffe...


J Med Chem 50: 3359-68 (2007)


Article DOI: 10.1021/jm061414r
BindingDB Entry DOI: 10.7270/Q2DR2SSH
More data for this
Ligand-Target Pair
Fatty Acid Amide Hydrolase


(Homo sapiens (Human))
BDBM23053
PNG
(1-[5-(pyridin-2-yl)-1,3-oxazol-2-yl]-7-[3-(trifluo...)
Show SMILES FC(F)(F)c1cccc(CCCCCCC(=O)c2ncc(o2)-c2ccccn2)c1
Show InChI InChI=1S/C22H21F3N2O2/c23-22(24,25)17-10-7-9-16(14-17)8-3-1-2-4-12-19(28)21-27-15-20(29-21)18-11-5-6-13-26-18/h5-7,9-11,13-15H,1-4,8,12H2
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1 -50.9 20n/an/an/an/a9.022



The Scripps Research Institute



Assay Description
The inhibition assays were performed by incubating enzyme, 14C-labeled oleamide in reaction buffer at room temperature in the presence of three diffe...


J Med Chem 50: 3359-68 (2007)


Article DOI: 10.1021/jm061414r
BindingDB Entry DOI: 10.7270/Q2DR2SSH
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Mus musculus (mouse))
BDBM50161524
PNG
(7-Phenyl-1-(5-pyridin-3-yl-[1,3,4]oxadiazol-2-yl)-...)
Show SMILES O=C(CCCCCCc1ccccc1)c1nnc(o1)-c1cccnc1
Show InChI InChI=1S/C20H21N3O2/c24-18(13-7-2-1-4-9-16-10-5-3-6-11-16)20-23-22-19(25-20)17-12-8-14-21-15-17/h3,5-6,8,10-12,14-15H,1-2,4,7,9,13H2
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1n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibitor affinity of the compound towards enzymes of class serine hydrolase was determined using biotin or fluorescent as radioligand (FP-biotin or ...


Bioorg Med Chem Lett 15: 1423-8 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.085
BindingDB Entry DOI: 10.7270/Q2PK0FNK
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Mus musculus (mouse))
BDBM50161514
PNG
(7-Phenyl-1-(5-pyridin-4-yl-[1,3,4]oxadiazol-2-yl)-...)
Show SMILES O=C(CCCCCCc1ccccc1)c1nnc(o1)-c1ccncc1
Show InChI InChI=1S/C20H21N3O2/c24-18(11-7-2-1-4-8-16-9-5-3-6-10-16)20-23-22-19(25-20)17-12-14-21-15-13-17/h3,5-6,9-10,12-15H,1-2,4,7-8,11H2
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1n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibitor affinity of the compound towards enzymes of class serine hydrolase was determined using biotin or fluorescent as radioligand (FP-biotin or ...


Bioorg Med Chem Lett 15: 1423-8 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.085
BindingDB Entry DOI: 10.7270/Q2PK0FNK
More data for this
Ligand-Target Pair
Fatty Acid Amide Hydrolase


(Homo sapiens (Human))
BDBM23069
PNG
(3-[4-(benzyloxy)phenyl]-1-[5-(pyridin-2-yl)-1,3-ox...)
Show SMILES O=C(CCc1ccc(OCc2ccccc2)cc1)c1ncc(o1)-c1ccccn1
Show InChI InChI=1S/C24H20N2O3/c27-22(24-26-16-23(29-24)21-8-4-5-15-25-21)14-11-18-9-12-20(13-10-18)28-17-19-6-2-1-3-7-19/h1-10,12-13,15-16H,11,14,17H2
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1.30 -50.7 1n/an/an/an/an/a25



The Scripps Research Institute



Assay Description
The inhibition assays were performed by incubating enzyme, 14C-labeled oleamide in reaction buffer at room temperature in the presence of three diffe...


J Med Chem 50: 3359-68 (2007)


Article DOI: 10.1021/jm061414r
BindingDB Entry DOI: 10.7270/Q2DR2SSH
More data for this
Ligand-Target Pair
Fatty Acid Amide Hydrolase


(Homo sapiens (Human))
BDBM23065
PNG
(7-(3-methanesulfonylphenyl)-1-[5-(pyridin-2-yl)-1,...)
Show SMILES CS(=O)(=O)c1cccc(CCCCCCC(=O)c2ncc(o2)-c2ccccn2)c1
Show InChI InChI=1S/C22H24N2O4S/c1-29(26,27)18-11-8-10-17(15-18)9-4-2-3-5-13-20(25)22-24-16-21(28-22)19-12-6-7-14-23-19/h6-8,10-12,14-16H,2-5,9,13H2,1H3
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1.30 -50.7 4n/an/an/an/an/a25



The Scripps Research Institute



Assay Description
The inhibition assays were performed by incubating enzyme, 14C-labeled oleamide in reaction buffer at room temperature in the presence of three diffe...


J Med Chem 50: 3359-68 (2007)


Article DOI: 10.1021/jm061414r
BindingDB Entry DOI: 10.7270/Q2DR2SSH
More data for this
Ligand-Target Pair
Fatty Acid Amide Hydrolase


(Homo sapiens (Human))
BDBM23057
PNG
(alpha-ketooxazole, 5cc | methyl 4-{7-oxo-7-[5-(pyr...)
Show SMILES COC(=O)c1ccc(CCCCCCC(=O)c2ncc(o2)-c2ccccn2)cc1
Show InChI InChI=1S/C23H24N2O4/c1-28-23(27)18-13-11-17(12-14-18)8-4-2-3-5-10-20(26)22-25-16-21(29-22)19-9-6-7-15-24-19/h6-7,9,11-16H,2-5,8,10H2,1H3
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1.5 -49.9 0.240n/an/an/an/a9.022



The Scripps Research Institute



Assay Description
The inhibition assays were performed by incubating enzyme, 14C-labeled oleamide in reaction buffer at room temperature in the presence of three diffe...


J Med Chem 50: 3359-68 (2007)


Article DOI: 10.1021/jm061414r
BindingDB Entry DOI: 10.7270/Q2DR2SSH
More data for this
Ligand-Target Pair
Fatty Acid Amide Hydrolase


(Homo sapiens (Human))
BDBM23045
PNG
(7-(2-fluorophenyl)-1-[5-(pyridin-2-yl)-1,3-oxazol-...)
Show SMILES Fc1ccccc1CCCCCCC(=O)c1ncc(o1)-c1ccccn1
Show InChI InChI=1S/C21H21FN2O2/c22-17-11-6-5-10-16(17)9-3-1-2-4-13-19(25)21-24-15-20(26-21)18-12-7-8-14-23-18/h5-8,10-12,14-15H,1-4,9,13H2
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1.70 -49.6 30n/an/an/an/a9.022



The Scripps Research Institute



Assay Description
The inhibition assays were performed by incubating enzyme, 14C-labeled oleamide in reaction buffer at room temperature in the presence of three diffe...


J Med Chem 50: 3359-68 (2007)


Article DOI: 10.1021/jm061414r
BindingDB Entry DOI: 10.7270/Q2DR2SSH
More data for this
Ligand-Target Pair
Fatty Acid Amide Hydrolase


(Homo sapiens (Human))
BDBM23056
PNG
(alpha-ketooxazole, 5bb | methyl 3-{7-oxo-7-[5-(pyr...)
Show SMILES COC(=O)c1cccc(CCCCCCC(=O)c2ncc(o2)-c2ccccn2)c1
Show InChI InChI=1S/C23H24N2O4/c1-28-23(27)18-11-8-10-17(15-18)9-4-2-3-5-13-20(26)22-25-16-21(29-22)19-12-6-7-14-24-19/h6-8,10-12,14-16H,2-5,9,13H2,1H3
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1.90 -49.3 0.400n/an/an/an/a9.022



The Scripps Research Institute



Assay Description
The inhibition assays were performed by incubating enzyme, 14C-labeled oleamide in reaction buffer at room temperature in the presence of three diffe...


J Med Chem 50: 3359-68 (2007)


Article DOI: 10.1021/jm061414r
BindingDB Entry DOI: 10.7270/Q2DR2SSH
More data for this
Ligand-Target Pair
Fatty Acid Amide Hydrolase


(Homo sapiens (Human))
BDBM23060
PNG
(7-(2-chlorophenyl)-1-[5-(pyridin-2-yl)-1,3-oxazol-...)
Show SMILES Clc1ccccc1CCCCCCC(=O)c1ncc(o1)-c1ccccn1
Show InChI InChI=1S/C21H21ClN2O2/c22-17-11-6-5-10-16(17)9-3-1-2-4-13-19(25)21-24-15-20(26-21)18-12-7-8-14-23-18/h5-8,10-12,14-15H,1-4,9,13H2
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1.90 -49.8 20n/an/an/an/an/a25



The Scripps Research Institute



Assay Description
The inhibition assays were performed by incubating enzyme, 14C-labeled oleamide in reaction buffer at room temperature in the presence of three diffe...


J Med Chem 50: 3359-68 (2007)


Article DOI: 10.1021/jm061414r
BindingDB Entry DOI: 10.7270/Q2DR2SSH
More data for this
Ligand-Target Pair
Fatty Acid Amide Hydrolase


(Homo sapiens (Human))
BDBM23075
PNG
(3-[4-(phenylamino)phenyl]-1-[5-(pyridin-2-yl)-1,3-...)
Show SMILES O=C(CCc1ccc(Nc2ccccc2)cc1)c1ncc(o1)-c1ccccn1
Show InChI InChI=1S/C23H19N3O2/c27-21(23-25-16-22(28-23)20-8-4-5-15-24-20)14-11-17-9-12-19(13-10-17)26-18-6-2-1-3-7-18/h1-10,12-13,15-16,26H,11,14H2
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2 -49.7 5n/an/an/an/an/a25



The Scripps Research Institute



Assay Description
The inhibition assays were performed by incubating enzyme, 14C-labeled oleamide in reaction buffer at room temperature in the presence of three diffe...


J Med Chem 50: 3359-68 (2007)


Article DOI: 10.1021/jm061414r
BindingDB Entry DOI: 10.7270/Q2DR2SSH
More data for this
Ligand-Target Pair
Fatty Acid Amide Hydrolase


(Homo sapiens (Human))
BDBM23077
PNG
(3-[4-(phenylsulfanyl)phenyl]-1-[5-(pyridin-2-yl)-1...)
Show SMILES O=C(CCc1ccc(Sc2ccccc2)cc1)c1ncc(o1)-c1ccccn1
Show InChI InChI=1S/C23H18N2O2S/c26-21(23-25-16-22(27-23)20-8-4-5-15-24-20)14-11-17-9-12-19(13-10-17)28-18-6-2-1-3-7-18/h1-10,12-13,15-16H,11,14H2
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PubMed
2.20 -49.4 2n/an/an/an/an/a25



The Scripps Research Institute



Assay Description
The inhibition assays were performed by incubating enzyme, 14C-labeled oleamide in reaction buffer at room temperature in the presence of three diffe...


J Med Chem 50: 3359-68 (2007)


Article DOI: 10.1021/jm061414r
BindingDB Entry DOI: 10.7270/Q2DR2SSH
More data for this
Ligand-Target Pair
Fatty Acid Amide Hydrolase


(Homo sapiens (Human))
BDBM23046
PNG
(7-(3-fluorophenyl)-1-[5-(pyridin-2-yl)-1,3-oxazol-...)
Show SMILES Fc1cccc(CCCCCCC(=O)c2ncc(o2)-c2ccccn2)c1
Show InChI InChI=1S/C21H21FN2O2/c22-17-10-7-9-16(14-17)8-3-1-2-4-12-19(25)21-24-15-20(26-21)18-11-5-6-13-23-18/h5-7,9-11,13-15H,1-4,8,12H2
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2.20 -48.9 10n/an/an/an/a9.022



The Scripps Research Institute



Assay Description
The inhibition assays were performed by incubating enzyme, 14C-labeled oleamide in reaction buffer at room temperature in the presence of three diffe...


J Med Chem 50: 3359-68 (2007)


Article DOI: 10.1021/jm061414r
BindingDB Entry DOI: 10.7270/Q2DR2SSH
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50163165
PNG
(1-(5-(pyridin-2-yl)oxazol-2-yl)dodecan-1-one | 1-(...)
Show SMILES CCCCCCCCCCCC(=O)c1ncc(o1)-c1ccccn1
Show InChI InChI=1S/C20H28N2O2/c1-2-3-4-5-6-7-8-9-10-14-18(23)20-22-16-19(24-20)17-13-11-12-15-21-17/h11-13,15-16H,2-10,14H2,1H3
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2.20n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibitory constant determined against recombinant Fatty-acid amide hydrolase from rat expressed in Escherichia coli


J Med Chem 48: 1849-56 (2005)


Article DOI: 10.1021/jm049614v
BindingDB Entry DOI: 10.7270/Q2Q52P54
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Mus musculus (mouse))
BDBM50100865
PNG
((Z)-1-(oxazolo[4,5-b]pyridin-2-yl)octadec-9-en-1-o...)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)c1nc2ncccc2o1
Show InChI InChI=1S/C24H36N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21(27)24-26-23-22(28-24)19-17-20-25-23/h9-10,17,19-20H,2-8,11-16,18H2,1H3/b10-9-
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2.30n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibitor affinity of the compound towards enzymes of class serine hydrolase was determined using biotin or fluorescent as radioligand (FP-biotin or ...


Bioorg Med Chem Lett 15: 1423-8 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.085
BindingDB Entry DOI: 10.7270/Q2PK0FNK
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50163177
PNG
(7-Phenyl-1-(5-pyrimidin-4-yl-oxazol-2-yl)-heptan-1...)
Show SMILES O=C(CCCCCCc1ccccc1)c1ncc(o1)-c1ccncn1
Show InChI InChI=1S/C20H21N3O2/c24-18(11-7-2-1-4-8-16-9-5-3-6-10-16)20-22-14-19(25-20)17-12-13-21-15-23-17/h3,5-6,9-10,12-15H,1-2,4,7-8,11H2
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2.30n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibitory constant determined against recombinant Fatty-acid amide hydrolase from rat expressed in Escherichia coli


J Med Chem 48: 1849-56 (2005)


Article DOI: 10.1021/jm049614v
BindingDB Entry DOI: 10.7270/Q2Q52P54
More data for this
Ligand-Target Pair
Fatty Acid Amide Hydrolase


(Homo sapiens (Human))
BDBM23043
PNG
(alpha-ketooxazole, 5o | tert-butyl N-(3-{7-oxo-7-[...)
Show SMILES CC(C)(C)OC(=O)Nc1cccc(CCCCCCC(=O)c2ncc(o2)-c2ccccn2)c1
Show InChI InChI=1S/C26H31N3O4/c1-26(2,3)33-25(31)29-20-13-10-12-19(17-20)11-6-4-5-7-15-22(30)24-28-18-23(32-24)21-14-8-9-16-27-21/h8-10,12-14,16-18H,4-7,11,15H2,1-3H3,(H,29,31)
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2.40 -48.7n/an/an/an/an/a9.022



The Scripps Research Institute



Assay Description
The inhibition assays were performed by incubating enzyme, 14C-labeled oleamide in reaction buffer at room temperature in the presence of three diffe...


J Med Chem 50: 3359-68 (2007)


Article DOI: 10.1021/jm061414r
BindingDB Entry DOI: 10.7270/Q2DR2SSH
More data for this
Ligand-Target Pair
Fatty Acid Amide Hydrolase


(Homo sapiens (Human))
BDBM23039
PNG
(7-(3-methoxyphenyl)-1-[5-(pyridin-2-yl)-1,3-oxazol...)
Show SMILES COc1cccc(CCCCCCC(=O)c2ncc(o2)-c2ccccn2)c1
Show InChI InChI=1S/C22H24N2O3/c1-26-18-11-8-10-17(15-18)9-4-2-3-5-13-20(25)22-24-16-21(27-22)19-12-6-7-14-23-19/h6-8,10-12,14-16H,2-5,9,13H2,1H3
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2.5 -48.6 20n/an/an/an/a9.022



The Scripps Research Institute



Assay Description
The inhibition assays were performed by incubating enzyme, 14C-labeled oleamide in reaction buffer at room temperature in the presence of three diffe...


J Med Chem 50: 3359-68 (2007)


Article DOI: 10.1021/jm061414r
BindingDB Entry DOI: 10.7270/Q2DR2SSH
More data for this
Ligand-Target Pair
Fatty Acid Amide Hydrolase


(Homo sapiens (Human))
BDBM23050
PNG
(7-[4-(methylsulfanyl)phenyl]-1-[5-(pyridin-2-yl)-1...)
Show SMILES CSc1ccc(CCCCCCC(=O)c2ncc(o2)-c2ccccn2)cc1
Show InChI InChI=1S/C22H24N2O2S/c1-27-18-13-11-17(12-14-18)8-4-2-3-5-10-20(25)22-24-16-21(26-22)19-9-6-7-15-23-19/h6-7,9,11-16H,2-5,8,10H2,1H3
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2.5 -48.6 20n/an/an/an/a9.022



The Scripps Research Institute



Assay Description
The inhibition assays were performed by incubating enzyme, 14C-labeled oleamide in reaction buffer at room temperature in the presence of three diffe...


J Med Chem 50: 3359-68 (2007)


Article DOI: 10.1021/jm061414r
BindingDB Entry DOI: 10.7270/Q2DR2SSH
More data for this
Ligand-Target Pair
Fatty Acid Amide Hydrolase


(Homo sapiens (Human))
BDBM23030
PNG
(7-(naphthalen-1-yl)-1-[5-(pyridin-2-yl)-1,3-oxazol...)
Show SMILES O=C(CCCCCCc1cccc2ccccc12)c1ncc(o1)-c1ccccn1
Show InChI InChI=1S/C25H24N2O2/c28-23(25-27-18-24(29-25)22-15-7-8-17-26-22)16-4-2-1-3-10-19-12-9-13-20-11-5-6-14-21(19)20/h5-9,11-15,17-18H,1-4,10,16H2
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2.60 -48.5 10n/an/an/an/a9.022



The Scripps Research Institute



Assay Description
The inhibition assays were performed by incubating enzyme, 14C-labeled oleamide in reaction buffer at room temperature in the presence of three diffe...


J Med Chem 50: 3359-68 (2007)


Article DOI: 10.1021/jm061414r
BindingDB Entry DOI: 10.7270/Q2DR2SSH
More data for this
Ligand-Target Pair
Fatty Acid Amide Hydrolase


(Homo sapiens (Human))
BDBM23062
PNG
(7-(4-chlorophenyl)-1-[5-(pyridin-2-yl)-1,3-oxazol-...)
Show SMILES Clc1ccc(CCCCCCC(=O)c2ncc(o2)-c2ccccn2)cc1
Show InChI InChI=1S/C21H21ClN2O2/c22-17-12-10-16(11-13-17)7-3-1-2-4-9-19(25)21-24-15-20(26-21)18-8-5-6-14-23-18/h5-6,8,10-15H,1-4,7,9H2
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2.70 -48.9 30n/an/an/an/an/a25



The Scripps Research Institute



Assay Description
The inhibition assays were performed by incubating enzyme, 14C-labeled oleamide in reaction buffer at room temperature in the presence of three diffe...


J Med Chem 50: 3359-68 (2007)


Article DOI: 10.1021/jm061414r
BindingDB Entry DOI: 10.7270/Q2DR2SSH
More data for this
Ligand-Target Pair
Fatty Acid Amide Hydrolase


(Homo sapiens (Human))
BDBM23037
PNG
(7-(4-methylphenyl)-1-[5-(pyridin-2-yl)-1,3-oxazol-...)
Show SMILES Cc1ccc(CCCCCCC(=O)c2ncc(o2)-c2ccccn2)cc1
Show InChI InChI=1S/C22H24N2O2/c1-17-11-13-18(14-12-17)8-4-2-3-5-10-20(25)22-24-16-21(26-22)19-9-6-7-15-23-19/h6-7,9,11-16H,2-5,8,10H2,1H3
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2.80 -48.3 40n/an/an/an/a9.022



The Scripps Research Institute



Assay Description
The inhibition assays were performed by incubating enzyme, 14C-labeled oleamide in reaction buffer at room temperature in the presence of three diffe...


J Med Chem 50: 3359-68 (2007)


Article DOI: 10.1021/jm061414r
BindingDB Entry DOI: 10.7270/Q2DR2SSH
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM23078
PNG
(3-(4-phenylphenyl)-1-[5-(pyridin-2-yl)-1,3-oxazol-...)
Show SMILES O=C(CCc1ccc(cc1)-c1ccccc1)c1ncc(o1)-c1ccccn1
Show InChI InChI=1S/C23H18N2O2/c26-21(23-25-16-22(27-23)20-8-4-5-15-24-20)14-11-17-9-12-19(13-10-17)18-6-2-1-3-7-18/h1-10,12-13,15-16H,11,14H2
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2.90 -48.7n/an/an/an/an/an/a25



The Scripps Research Institute



Assay Description
The inhibition assays were performed by incubating enzyme, 14C-labeled oleamide in reaction buffer at room temperature in the presence of three diffe...


J Med Chem 50: 3359-68 (2007)


Article DOI: 10.1021/jm061414r
BindingDB Entry DOI: 10.7270/Q2DR2SSH
More data for this
Ligand-Target Pair
Fatty Acid Amide Hydrolase


(Homo sapiens (Human))
BDBM23042
PNG
(7-(4-aminophenyl)-1-[5-(pyridin-2-yl)-1,3-oxazol-2...)
Show SMILES Nc1ccc(CCCCCCC(=O)c2ncc(o2)-c2ccccn2)cc1
Show InChI InChI=1S/C21H23N3O2/c22-17-12-10-16(11-13-17)7-3-1-2-4-9-19(25)21-24-15-20(26-21)18-8-5-6-14-23-18/h5-6,8,10-15H,1-4,7,9,22H2
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3 -48.2 4n/an/an/an/a9.022



The Scripps Research Institute



Assay Description
The inhibition assays were performed by incubating enzyme, 14C-labeled oleamide in reaction buffer at room temperature in the presence of three diffe...


J Med Chem 50: 3359-68 (2007)


Article DOI: 10.1021/jm061414r
BindingDB Entry DOI: 10.7270/Q2DR2SSH
More data for this
Ligand-Target Pair
Fatty Acid Amide Hydrolase


(Homo sapiens (Human))
BDBM23034
PNG
(7-(2-methylphenyl)-1-[5-(pyridin-2-yl)-1,3-oxazol-...)
Show SMILES Cc1ccccc1CCCCCCC(=O)c1ncc(o1)-c1ccccn1
Show InChI InChI=1S/C22H24N2O2/c1-17-10-6-7-12-18(17)11-4-2-3-5-14-20(25)22-24-16-21(26-22)19-13-8-9-15-23-19/h6-10,12-13,15-16H,2-5,11,14H2,1H3
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3 -48.2 30n/an/an/an/a9.022



The Scripps Research Institute



Assay Description
The inhibition assays were performed by incubating enzyme, 14C-labeled oleamide in reaction buffer at room temperature in the presence of three diffe...


J Med Chem 50: 3359-68 (2007)


Article DOI: 10.1021/jm061414r
BindingDB Entry DOI: 10.7270/Q2DR2SSH
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Mus musculus (mouse))
BDBM50157120
PNG
((9Z)-1-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)octade...)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)c1nnc(o1)-c1ccccn1
Show InChI InChI=1S/C25H37N3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23(29)25-28-27-24(30-25)22-19-17-18-21-26-22/h9-10,17-19,21H,2-8,11-16,20H2,1H3/b10-9-
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3n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibitor affinity of the compound towards enzymes of class serine hydrolase was determined using biotin or fluorescent as radioligand (FP-biotin or ...


Bioorg Med Chem Lett 15: 1423-8 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.085
BindingDB Entry DOI: 10.7270/Q2PK0FNK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Fatty Acid Amide Hydrolase


(Homo sapiens (Human))
BDBM23117
PNG
(6-(phenylsulfanyl)-1-[5-(pyridin-2-yl)-1,3-oxazol-...)
Show SMILES O=C(CCCCCSc1ccccc1)c1ncc(o1)-c1ccccn1
Show InChI InChI=1S/C20H20N2O2S/c23-18(12-5-2-8-14-25-16-9-3-1-4-10-16)20-22-15-19(24-20)17-11-6-7-13-21-17/h1,3-4,6-7,9-11,13,15H,2,5,8,12,14H2
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3 -48.6n/an/an/an/an/an/a25



The Scripps Research Institute



Assay Description
The inhibition assays were performed by incubating enzyme, 14C-labeled oleamide in reaction buffer at room temperature in the presence of three diffe...


J Med Chem 50: 3359-68 (2007)


Article DOI: 10.1021/jm061414r
BindingDB Entry DOI: 10.7270/Q2DR2SSH
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50157120
PNG
((9Z)-1-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)octade...)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)c1nnc(o1)-c1ccccn1
Show InChI InChI=1S/C25H37N3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23(29)25-28-27-24(30-25)22-19-17-18-21-26-22/h9-10,17-19,21H,2-8,11-16,20H2,1H3/b10-9-
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3n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against purified rat Fatty-acid amide hydrolase (FAAH) expressed in Escherichia coli


Bioorg Med Chem Lett 15: 103-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.025
BindingDB Entry DOI: 10.7270/Q2MC8ZGW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Fatty Acid Amide Hydrolase


(Homo sapiens (Human))
BDBM23076
PNG
(3-(4-benzylphenyl)-1-[5-(pyridin-2-yl)-1,3-oxazol-...)
Show SMILES O=C(CCc1ccc(Cc2ccccc2)cc1)c1ncc(o1)-c1ccccn1
Show InChI InChI=1S/C24H20N2O2/c27-22(24-26-17-23(28-24)21-8-4-5-15-25-21)14-13-18-9-11-20(12-10-18)16-19-6-2-1-3-7-19/h1-12,15,17H,13-14,16H2
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3.20 -48.5 3n/an/an/an/an/a25



The Scripps Research Institute



Assay Description
The inhibition assays were performed by incubating enzyme, 14C-labeled oleamide in reaction buffer at room temperature in the presence of three diffe...


J Med Chem 50: 3359-68 (2007)


Article DOI: 10.1021/jm061414r
BindingDB Entry DOI: 10.7270/Q2DR2SSH
More data for this
Ligand-Target Pair
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