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Compile Data Set for Download or QSAR

Found 762 hits with Last Name = 'rayl' and Initial = 'tj'   
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))
BDBM50262420
PNG
(7-Phenyl-1-(5-(pyridin-2-yl)-1,3,4-thiadiazol-2-yl...)
Show SMILES O=C(CCCCCCc1ccccc1)c1nnc(s1)-c1ccccn1
Show InChI InChI=1S/C20H21N3OS/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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0.0500n/an/an/an/an/an/an/an/a



Institute for Chemical Biology

Curated by ChEMBL


Assay Description
Inhibition of rat FAAH expressed in Escherichia coli


J Med Chem 51: 4392-403 (2008)


Article DOI: 10.1021/jm800136b
BindingDB Entry DOI: 10.7270/Q26D5TW3
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50228837
PNG
(2-(3-(biphenyl-4-yl)propanoyl)oxazole-5-carbonitri...)
Show SMILES O=C(CCc1ccc(cc1)-c1ccccc1)c1ncc(o1)C#N
Show InChI InChI=1S/C19H14N2O2/c20-12-17-13-21-19(23-17)18(22)11-8-14-6-9-16(10-7-14)15-4-2-1-3-5-15/h1-7,9-10,13H,8,11H2
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0.200n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant FAAH expressed in Escherichia coli


J Med Chem 51: 937-47 (2008)


Article DOI: 10.1021/jm701210y
BindingDB Entry DOI: 10.7270/Q2QV3NCP
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50228837
PNG
(2-(3-(biphenyl-4-yl)propanoyl)oxazole-5-carbonitri...)
Show SMILES O=C(CCc1ccc(cc1)-c1ccccc1)c1ncc(o1)C#N
Show InChI InChI=1S/C19H14N2O2/c20-12-17-13-21-19(23-17)18(22)11-8-14-6-9-16(10-7-14)15-4-2-1-3-5-15/h1-7,9-10,13H,8,11H2
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0.260n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FAAH expressed COS7 cells


J Med Chem 51: 937-47 (2008)


Article DOI: 10.1021/jm701210y
BindingDB Entry DOI: 10.7270/Q2QV3NCP
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
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/a9.0n/a



Institute for Chemical Biology

Curated by ChEMBL


Assay Description
Inhibition of rat FAAH expressed in Escherichia coli at pH 9.0


J Med Chem 51: 4392-403 (2008)


Article DOI: 10.1021/jm800136b
BindingDB Entry DOI: 10.7270/Q26D5TW3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Anandamide amidohydrolase


(Rattus norvegicus (rat))
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



Institute for Chemical Biology

Curated by ChEMBL


Assay Description
Inhibition of rat FAAH expressed in Escherichia coli


J Med Chem 51: 4392-403 (2008)


Article DOI: 10.1021/jm800136b
BindingDB Entry DOI: 10.7270/Q26D5TW3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50262032
PNG
(3-(Biphenyl-4-yl)-1-(5-(pyridin-2-yl)-1,3,4-oxadia...)
Show SMILES O=C(CCc1ccc(cc1)-c1ccccc1)c1nnc(o1)-c1ccccn1
Show InChI InChI=1S/C22H17N3O2/c26-20(22-25-24-21(27-22)19-8-4-5-15-23-19)14-11-16-9-12-18(13-10-16)17-6-2-1-3-7-17/h1-10,12-13,15H,11,14H2
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0.300n/an/an/an/an/an/an/an/a



Institute for Chemical Biology

Curated by ChEMBL


Assay Description
Inhibition of rat FAAH expressed in Escherichia coli


J Med Chem 51: 4392-403 (2008)


Article DOI: 10.1021/jm800136b
BindingDB Entry DOI: 10.7270/Q26D5TW3
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50262244
PNG
(1-(1-Methyl-1H-tetrazol-5-yl)-7-phenylheptan-1-one...)
Show SMILES O=C(CCCCCCc1ccccc1)c1nc(no1)-c1ccccn1
Show InChI InChI=1S/C20H21N3O2/c24-18(14-7-2-1-4-10-16-11-5-3-6-12-16)20-22-19(23-25-20)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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0.340n/an/an/an/an/an/an/an/a



Institute for Chemical Biology

Curated by ChEMBL


Assay Description
Inhibition of rat FAAH expressed in Escherichia coli


J Med Chem 51: 4392-403 (2008)


Article DOI: 10.1021/jm800136b
BindingDB Entry DOI: 10.7270/Q26D5TW3
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50262244
PNG
(1-(1-Methyl-1H-tetrazol-5-yl)-7-phenylheptan-1-one...)
Show SMILES O=C(CCCCCCc1ccccc1)c1nc(no1)-c1ccccn1
Show InChI InChI=1S/C20H21N3O2/c24-18(14-7-2-1-4-10-16-11-5-3-6-12-16)20-22-19(23-25-20)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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0.340n/an/an/an/an/an/a9.0n/a



Institute for Chemical Biology

Curated by ChEMBL


Assay Description
Inhibition of rat FAAH expressed in Escherichia coli at pH 9.0


J Med Chem 51: 4392-403 (2008)


Article DOI: 10.1021/jm800136b
BindingDB Entry DOI: 10.7270/Q26D5TW3
More data for this
Ligand-Target Pair
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


(Rattus norvegicus (rat))
BDBM50261990
PNG
(1-(3-(6-Cyanopiridin-2-yl)-1,2,4-oxadiazol-5-yl)-7...)
Show SMILES O=C(CCCCCCc1ccccc1)c1nc(no1)-c1cccc(n1)C#N
Show InChI InChI=1S/C21H20N4O2/c22-15-17-12-8-13-18(23-17)20-24-21(27-25-20)19(26)14-7-2-1-4-9-16-10-5-3-6-11-16/h3,5-6,8,10-13H,1-2,4,7,9,14H2
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0.380n/an/an/an/an/an/an/an/a



Institute for Chemical Biology

Curated by ChEMBL


Assay Description
Inhibition of rat FAAH expressed in Escherichia coli


J Med Chem 51: 4392-403 (2008)


Article DOI: 10.1021/jm800136b
BindingDB Entry DOI: 10.7270/Q26D5TW3
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50204512
PNG
(2-(7-phenylheptanoyl)oxazole-5-carbonitrile | CHEM...)
Show SMILES O=C(CCCCCCc1ccccc1)c1ncc(o1)C#N
Show InChI InChI=1S/C17H18N2O2/c18-12-15-13-19-17(21-15)16(20)11-7-2-1-4-8-14-9-5-3-6-10-14/h3,5-6,9-10,13H,1-2,4,7-8,11H2
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0.400n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant FAAH expressed in Escherichia coli by [14C]oleamide breakdown


J Med Chem 50: 1058-68 (2007)


Article DOI: 10.1021/jm0611509
BindingDB Entry DOI: 10.7270/Q26H4J6G
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50204512
PNG
(2-(7-phenylheptanoyl)oxazole-5-carbonitrile | CHEM...)
Show SMILES O=C(CCCCCCc1ccccc1)c1ncc(o1)C#N
Show InChI InChI=1S/C17H18N2O2/c18-12-15-13-19-17(21-15)16(20)11-7-2-1-4-8-14-9-5-3-6-10-14/h3,5-6,9-10,13H,1-2,4,7-8,11H2
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0.400n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant FAAH expressed in Escherichia coli


J Med Chem 51: 937-47 (2008)


Article DOI: 10.1021/jm701210y
BindingDB Entry DOI: 10.7270/Q2QV3NCP
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


(Rattus norvegicus (rat))
BDBM50372374
PNG
(CHEMBL258820)
Show SMILES O=C(CCc1ccc(COc2ccccc2)cc1)c1ncc(o1)C#N
Show InChI InChI=1S/C20H16N2O3/c21-12-18-13-22-20(25-18)19(23)11-10-15-6-8-16(9-7-15)14-24-17-4-2-1-3-5-17/h1-9,13H,10-11,14H2
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0.5n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant FAAH expressed in Escherichia coli


J Med Chem 51: 937-47 (2008)


Article DOI: 10.1021/jm701210y
BindingDB Entry DOI: 10.7270/Q2QV3NCP
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50372374
PNG
(CHEMBL258820)
Show SMILES O=C(CCc1ccc(COc2ccccc2)cc1)c1ncc(o1)C#N
Show InChI InChI=1S/C20H16N2O3/c21-12-18-13-22-20(25-18)19(23)11-10-15-6-8-16(9-7-15)14-24-17-4-2-1-3-5-17/h1-9,13H,10-11,14H2
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0.510n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FAAH expressed COS7 cells


J Med Chem 51: 937-47 (2008)


Article DOI: 10.1021/jm701210y
BindingDB Entry DOI: 10.7270/Q2QV3NCP
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50372392
PNG
(CHEMBL405880)
Show SMILES O=C(CCc1ccc(COc2ccccc2)cc1)c1ncc(o1)-c1cccc(n1)C#N
Show InChI InChI=1S/C25H19N3O3/c26-15-20-5-4-8-22(28-20)24-16-27-25(31-24)23(29)14-13-18-9-11-19(12-10-18)17-30-21-6-2-1-3-7-21/h1-12,16H,13-14,17H2
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0.560n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant FAAH expressed in Escherichia coli


J Med Chem 51: 937-47 (2008)


Article DOI: 10.1021/jm701210y
BindingDB Entry DOI: 10.7270/Q2QV3NCP
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
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/a9.0n/a



Institute for Chemical Biology

Curated by ChEMBL


Assay Description
Inhibition of rat FAAH expressed in Escherichia coli at pH 9.0


J Med Chem 51: 4392-403 (2008)


Article DOI: 10.1021/jm800136b
BindingDB Entry DOI: 10.7270/Q26D5TW3
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50372380
PNG
(CHEMBL271745)
Show SMILES COC(=O)c1ccc(cn1)-c1cnc(o1)C(=O)CCc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C25H20N2O4/c1-30-25(29)21-13-12-20(15-26-21)23-16-27-24(31-23)22(28)14-9-17-7-10-19(11-8-17)18-5-3-2-4-6-18/h2-8,10-13,15-16H,9,14H2,1H3
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0.600n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant FAAH expressed in Escherichia coli


J Med Chem 51: 937-47 (2008)


Article DOI: 10.1021/jm701210y
BindingDB Entry DOI: 10.7270/Q2QV3NCP
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 1


(Homo sapiens (Human))
BDBM50204478
PNG
(1-(5-(4-methylpyridin-2-yl)oxazol-2-yl)-7-phenylhe...)
Show SMILES Cc1ccnc(c1)-c1cnc(o1)C(=O)CCCCCCc1ccccc1
Show InChI InChI=1S/C22H24N2O2/c1-17-13-14-23-19(15-17)21-16-24-22(26-21)20(25)12-8-3-2-5-9-18-10-6-4-7-11-18/h4,6-7,10-11,13-16H,2-3,5,8-9,12H2,1H3
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0.600n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant FAAH expressed in Escherichia coli by [14C]oleamide breakdown


J Med Chem 50: 1058-68 (2007)


Article DOI: 10.1021/jm0611509
BindingDB Entry DOI: 10.7270/Q26H4J6G
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50261988
PNG
(1-(3-(6-Bromopyridin-2-yl)-1,2,4-oxadiazol-5-yl)-7...)
Show SMILES Brc1cccc(n1)-c1noc(n1)C(=O)CCCCCCc1ccccc1
Show InChI InChI=1S/C20H20BrN3O2/c21-18-14-8-12-16(22-18)19-23-20(26-24-19)17(25)13-7-2-1-4-9-15-10-5-3-6-11-15/h3,5-6,8,10-12,14H,1-2,4,7,9,13H2
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0.630n/an/an/an/an/an/an/an/a



Institute for Chemical Biology

Curated by ChEMBL


Assay Description
Inhibition of rat FAAH expressed in Escherichia coli


J Med Chem 51: 4392-403 (2008)


Article DOI: 10.1021/jm800136b
BindingDB Entry DOI: 10.7270/Q26D5TW3
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50372399
PNG
(CHEMBL405604)
Show SMILES FC(F)(F)c1cnc(o1)C(=O)CCc1ccc(COc2ccccc2)cc1
Show InChI InChI=1S/C20H16F3NO3/c21-20(22,23)18-12-24-19(27-18)17(25)11-10-14-6-8-15(9-7-14)13-26-16-4-2-1-3-5-16/h1-9,12H,10-11,13H2
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0.670n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FAAH expressed COS7 cells


J Med Chem 51: 937-47 (2008)


Article DOI: 10.1021/jm701210y
BindingDB Entry DOI: 10.7270/Q2QV3NCP
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50372355
PNG
(CHEMBL272452)
Show SMILES FC(F)(F)c1cnc(o1)C(=O)CCc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C19H14F3NO2/c20-19(21,22)17-12-23-18(25-17)16(24)11-8-13-6-9-15(10-7-13)14-4-2-1-3-5-14/h1-7,9-10,12H,8,11H2
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0.700n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant FAAH expressed in Escherichia coli


J Med Chem 51: 937-47 (2008)


Article DOI: 10.1021/jm701210y
BindingDB Entry DOI: 10.7270/Q2QV3NCP
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


(Rattus norvegicus (rat))
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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0.75n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant FAAH expressed in Escherichia coli


J Med Chem 51: 937-47 (2008)


Article DOI: 10.1021/jm701210y
BindingDB Entry DOI: 10.7270/Q2QV3NCP
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
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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0.75n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant FAAH expressed in Escherichia coli


J Med Chem 51: 937-47 (2008)


Article DOI: 10.1021/jm701210y
BindingDB Entry DOI: 10.7270/Q2QV3NCP
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50372399
PNG
(CHEMBL405604)
Show SMILES FC(F)(F)c1cnc(o1)C(=O)CCc1ccc(COc2ccccc2)cc1
Show InChI InChI=1S/C20H16F3NO3/c21-20(22,23)18-12-24-19(27-18)17(25)11-10-14-6-8-15(9-7-14)13-26-16-4-2-1-3-5-16/h1-9,12H,10-11,13H2
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0.800n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant FAAH expressed in Escherichia coli


J Med Chem 51: 937-47 (2008)


Article DOI: 10.1021/jm701210y
BindingDB Entry DOI: 10.7270/Q2QV3NCP
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50372372
PNG
(CHEMBL272038)
Show SMILES O=C(CCc1ccc(Oc2ccccc2)cc1)c1ncc(o1)C#N
Show InChI InChI=1S/C19H14N2O3/c20-12-17-13-21-19(24-17)18(22)11-8-14-6-9-16(10-7-14)23-15-4-2-1-3-5-15/h1-7,9-10,13H,8,11H2
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0.800n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant FAAH expressed in Escherichia coli


J Med Chem 51: 937-47 (2008)


Article DOI: 10.1021/jm701210y
BindingDB Entry DOI: 10.7270/Q2QV3NCP
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50261940
PNG
(1-(5-(6-Bromopyridin-2-yl)-1,3,4-oxadiazol-2-yl)-7...)
Show SMILES Brc1cccc(n1)-c1nnc(o1)C(=O)CCCCCCc1ccccc1
Show InChI InChI=1S/C20H20BrN3O2/c21-18-14-8-12-16(22-18)19-23-24-20(26-19)17(25)13-7-2-1-4-9-15-10-5-3-6-11-15/h3,5-6,8,10-12,14H,1-2,4,7,9,13H2
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0.800n/an/an/an/an/an/an/an/a



Institute for Chemical Biology

Curated by ChEMBL


Assay Description
Inhibition of rat FAAH expressed in Escherichia coli


J Med Chem 51: 4392-403 (2008)


Article DOI: 10.1021/jm800136b
BindingDB Entry DOI: 10.7270/Q26D5TW3
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50262420
PNG
(7-Phenyl-1-(5-(pyridin-2-yl)-1,3,4-thiadiazol-2-yl...)
Show SMILES O=C(CCCCCCc1ccccc1)c1nnc(s1)-c1ccccn1
Show InChI InChI=1S/C20H21N3OS/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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0.800n/an/an/an/an/an/a9.0n/a



Institute for Chemical Biology

Curated by ChEMBL


Assay Description
Inhibition of rat FAAH expressed in Escherichia coli at pH 9.0


J Med Chem 51: 4392-403 (2008)


Article DOI: 10.1021/jm800136b
BindingDB Entry DOI: 10.7270/Q26D5TW3
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50204483
PNG
(7-phenyl-1-(5-(trifluoromethyl)oxazol-2-yl)heptan-...)
Show SMILES FC(F)(F)c1cnc(o1)C(=O)CCCCCCc1ccccc1
Show InChI InChI=1S/C17H18F3NO2/c18-17(19,20)15-12-21-16(23-15)14(22)11-7-2-1-4-8-13-9-5-3-6-10-13/h3,5-6,9-10,12H,1-2,4,7-8,11H2
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0.800n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant FAAH expressed in Escherichia coli by [14C]oleamide breakdown


J Med Chem 50: 1058-68 (2007)


Article DOI: 10.1021/jm0611509
BindingDB Entry DOI: 10.7270/Q26H4J6G
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50262186
PNG
(7-Phenyl-1-(5-(thien-2-yl)-1,3,4-oxadiazol-2-yl)-h...)
Show SMILES O=C(CCCCCCc1ccccc1)c1nnc(o1)-c1cccs1
Show InChI InChI=1S/C19H20N2O2S/c22-16(18-20-21-19(23-18)17-13-8-14-24-17)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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0.800n/an/an/an/an/an/a9.0n/a



Institute for Chemical Biology

Curated by ChEMBL


Assay Description
Inhibition of rat FAAH expressed in Escherichia coli at pH 9.0


J Med Chem 51: 4392-403 (2008)


Article DOI: 10.1021/jm800136b
BindingDB Entry DOI: 10.7270/Q26D5TW3
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50204510
PNG
(1-(5-(4-methoxypyridin-2-yl)oxazol-2-yl)-7-phenylh...)
Show SMILES COc1ccnc(c1)-c1cnc(o1)C(=O)CCCCCCc1ccccc1
Show InChI InChI=1S/C22H24N2O3/c1-26-18-13-14-23-19(15-18)21-16-24-22(27-21)20(25)12-8-3-2-5-9-17-10-6-4-7-11-17/h4,6-7,10-11,13-16H,2-3,5,8-9,12H2,1H3
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0.800n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant FAAH expressed in Escherichia coli by [14C]oleamide breakdown


J Med Chem 50: 1058-68 (2007)


Article DOI: 10.1021/jm0611509
BindingDB Entry DOI: 10.7270/Q26H4J6G
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50372372
PNG
(CHEMBL272038)
Show SMILES O=C(CCc1ccc(Oc2ccccc2)cc1)c1ncc(o1)C#N
Show InChI InChI=1S/C19H14N2O3/c20-12-17-13-21-19(24-17)18(22)11-8-14-6-9-16(10-7-14)23-15-4-2-1-3-5-15/h1-7,9-10,13H,8,11H2
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0.850n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FAAH expressed COS7 cells


J Med Chem 51: 937-47 (2008)


Article DOI: 10.1021/jm701210y
BindingDB Entry DOI: 10.7270/Q2QV3NCP
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 1


(Homo sapiens (Human))
BDBM50204490
PNG
(CHEMBL220784 | methyl 2-(7-phenylheptanoyl)oxazole...)
Show SMILES COC(=O)c1cnc(o1)C(=O)CCCCCCc1ccccc1
Show InChI InChI=1S/C18H21NO4/c1-22-18(21)16-13-19-17(23-16)15(20)12-8-3-2-5-9-14-10-6-4-7-11-14/h4,6-7,10-11,13H,2-3,5,8-9,12H2,1H3
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0.900n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant FAAH expressed in Escherichia coli by [14C]oleamide breakdown


J Med Chem 50: 1058-68 (2007)


Article DOI: 10.1021/jm0611509
BindingDB Entry DOI: 10.7270/Q26H4J6G
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50204490
PNG
(CHEMBL220784 | methyl 2-(7-phenylheptanoyl)oxazole...)
Show SMILES COC(=O)c1cnc(o1)C(=O)CCCCCCc1ccccc1
Show InChI InChI=1S/C18H21NO4/c1-22-18(21)16-13-19-17(23-16)15(20)12-8-3-2-5-9-14-10-6-4-7-11-14/h4,6-7,10-11,13H,2-3,5,8-9,12H2,1H3
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0.900n/an/an/an/an/an/a9.0n/a



Institute for Chemical Biology

Curated by ChEMBL


Assay Description
Inhibition of rat FAAH expressed in Escherichia coli at pH 9.0


J Med Chem 51: 4392-403 (2008)


Article DOI: 10.1021/jm800136b
BindingDB Entry DOI: 10.7270/Q26D5TW3
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50262244
PNG
(1-(1-Methyl-1H-tetrazol-5-yl)-7-phenylheptan-1-one...)
Show SMILES O=C(CCCCCCc1ccccc1)c1nc(no1)-c1ccccn1
Show InChI InChI=1S/C20H21N3O2/c24-18(14-7-2-1-4-10-16-11-5-3-6-12-16)20-22-19(23-25-20)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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0.920n/an/an/an/an/an/an/an/a



Institute for Chemical Biology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FAAH expressed in african green monkey COS7 cells


J Med Chem 51: 4392-403 (2008)


Article DOI: 10.1021/jm800136b
BindingDB Entry DOI: 10.7270/Q26D5TW3
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


(Rattus norvegicus (rat))
BDBM50261989
PNG
(1-(3-(6-Iodopyridin-2-yl)-1,2,4-oxadiazol-5-yl)-7-...)
Show SMILES Ic1cccc(n1)-c1noc(n1)C(=O)CCCCCCc1ccccc1
Show InChI InChI=1S/C20H20IN3O2/c21-18-14-8-12-16(22-18)19-23-20(26-24-19)17(25)13-7-2-1-4-9-15-10-5-3-6-11-15/h3,5-6,8,10-12,14H,1-2,4,7,9,13H2
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1n/an/an/an/an/an/an/an/a



Institute for Chemical Biology

Curated by ChEMBL


Assay Description
Inhibition of rat FAAH expressed in Escherichia coli


J Med Chem 51: 4392-403 (2008)


Article DOI: 10.1021/jm800136b
BindingDB Entry DOI: 10.7270/Q26D5TW3
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50261941
PNG
(1-(3-(6-Chloropyridin-2-yl)-1,2,4-oxadiazol-5-yl)-...)
Show SMILES Clc1cccc(n1)-c1noc(n1)C(=O)CCCCCCc1ccccc1
Show InChI InChI=1S/C20H20ClN3O2/c21-18-14-8-12-16(22-18)19-23-20(26-24-19)17(25)13-7-2-1-4-9-15-10-5-3-6-11-15/h3,5-6,8,10-12,14H,1-2,4,7,9,13H2
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1n/an/an/an/an/an/an/an/a



Institute for Chemical Biology

Curated by ChEMBL


Assay Description
Inhibition of rat FAAH expressed in Escherichia coli


J Med Chem 51: 4392-403 (2008)


Article DOI: 10.1021/jm800136b
BindingDB Entry DOI: 10.7270/Q26D5TW3
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50261938
PNG
(CHEMBL450158 | Methyl 5-(7-Phenylheptanoyl)-1,3,4-...)
Show SMILES COC(=O)c1nnc(s1)C(=O)CCCCCCc1ccccc1
Show InChI InChI=1S/C17H20N2O3S/c1-22-17(21)16-19-18-15(23-16)14(20)12-8-3-2-5-9-13-10-6-4-7-11-13/h4,6-7,10-11H,2-3,5,8-9,12H2,1H3
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1n/an/an/an/an/an/an/an/a



Institute for Chemical Biology

Curated by ChEMBL


Assay Description
Inhibition of rat FAAH expressed in Escherichia coli


J Med Chem 51: 4392-403 (2008)


Article DOI: 10.1021/jm800136b
BindingDB Entry DOI: 10.7270/Q26D5TW3
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50204496
PNG
(6-(2-(7-phenylheptanoyl)oxazol-5-yl)picolinamide |...)
Show SMILES NC(=O)c1cccc(n1)-c1cnc(o1)C(=O)CCCCCCc1ccccc1
Show InChI InChI=1S/C22H23N3O3/c23-21(27)18-13-8-12-17(25-18)20-15-24-22(28-20)19(26)14-7-2-1-4-9-16-10-5-3-6-11-16/h3,5-6,8,10-13,15H,1-2,4,7,9,14H2,(H2,23,27)
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1n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant FAAH expressed in Escherichia coli by [14C]oleamide breakdown


J Med Chem 50: 1058-68 (2007)


Article DOI: 10.1021/jm0611509
BindingDB Entry DOI: 10.7270/Q26H4J6G
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
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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1n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant FAAH expressed in Escherichia coli


J Med Chem 51: 937-47 (2008)


Article DOI: 10.1021/jm701210y
BindingDB Entry DOI: 10.7270/Q2QV3NCP
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50261936
PNG
(CHEMBL468188 | Methyl 5-(7-Phenylheptanoyl)-1,3,4-...)
Show SMILES COC(=O)c1nnc(o1)C(=O)CCCCCCc1ccccc1
Show InChI InChI=1S/C17H20N2O4/c1-22-17(21)16-19-18-15(23-16)14(20)12-8-3-2-5-9-13-10-6-4-7-11-13/h4,6-7,10-11H,2-3,5,8-9,12H2,1H3
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1n/an/an/an/an/an/a9.0n/a



Institute for Chemical Biology

Curated by ChEMBL


Assay Description
Inhibition of rat FAAH expressed in Escherichia coli at pH 9.0


J Med Chem 51: 4392-403 (2008)


Article DOI: 10.1021/jm800136b
BindingDB Entry DOI: 10.7270/Q26D5TW3
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50261938
PNG
(CHEMBL450158 | Methyl 5-(7-Phenylheptanoyl)-1,3,4-...)
Show SMILES COC(=O)c1nnc(s1)C(=O)CCCCCCc1ccccc1
Show InChI InChI=1S/C17H20N2O3S/c1-22-17(21)16-19-18-15(23-16)14(20)12-8-3-2-5-9-13-10-6-4-7-11-13/h4,6-7,10-11H,2-3,5,8-9,12H2,1H3
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1n/an/an/an/an/an/a9.0n/a



Institute for Chemical Biology

Curated by ChEMBL


Assay Description
Inhibition of rat FAAH expressed in Escherichia coli at pH 9.0


J Med Chem 51: 4392-403 (2008)


Article DOI: 10.1021/jm800136b
BindingDB Entry DOI: 10.7270/Q26D5TW3
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
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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1n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant FAAH expressed in Escherichia coli


J Med Chem 51: 937-47 (2008)


Article DOI: 10.1021/jm701210y
BindingDB Entry DOI: 10.7270/Q2QV3NCP
More data for this
Ligand-Target Pair
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