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PubMed code 16078824

Compile data set for download or QSAR
Found 48 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))
BDBM50171297
PNG
((5Z,8Z,11Z,14Z)-1-(oxazolo[4,5-b]pyridin-2-yl)icos...)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)c1nc2ncccc2o1
Show InChI InChI=1S/C26H34N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23(29)26-28-25-24(30-26)21-19-22-27-25/h6-7,9-10,12-13,15-16,19,21-22H,2-5,8,11,14,17-18,20H2,1H3/b7-6-,10-9-,13-12-,16-15-
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1n/an/an/an/an/an/an/an/a



Universit£ Catholique de Louvain

Curated by ChEMBL


Assay Description
Binding affinity for fatty acid amide hydrolase


J Med Chem 48: 5059-87 (2005)


Article DOI: 10.1021/jm058183t
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50069273
PNG
((Z)-1,1,1-Trifluoro-nonadec-10-en-2-one | 1,1,1-tr...)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)C(F)(F)F
Show InChI InChI=1S/C19H33F3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(23)19(20,21)22/h9-10H,2-8,11-17H2,1H3/b10-9-
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1.20n/an/an/an/an/an/an/an/a



Universit£ Catholique de Louvain

Curated by ChEMBL


Assay Description
Binding affinity for fatty acid amide hydrolase


J Med Chem 48: 5059-87 (2005)


Article DOI: 10.1021/jm058183t
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50072775
PNG
(2-((1R,2R,5R)-5-hydroxy-2-(3-hydroxypropyl)cyclohe...)
Show SMILES CCCCCCC(C)(C)c1ccc([C@@H]2C[C@H](O)CC[C@H]2CCCO)c(O)c1 |r|
Show InChI InChI=1S/C24H40O3/c1-4-5-6-7-14-24(2,3)19-11-13-21(23(27)16-19)22-17-20(26)12-10-18(22)9-8-15-25/h11,13,16,18,20,22,25-27H,4-10,12,14-15,17H2,1-3H3/t18-,20-,22-/m1/s1
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1.40n/an/an/an/an/an/an/an/a



Universit£ Catholique de Louvain

Curated by ChEMBL


Assay Description
Binding affinity for cannabinoid receptor 1


J Med Chem 48: 5059-87 (2005)


Article DOI: 10.1021/jm058183t
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
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



Universit£ Catholique de Louvain

Curated by ChEMBL


Assay Description
Binding affinity for fatty acid amide hydrolase


J Med Chem 48: 5059-87 (2005)


Article DOI: 10.1021/jm058183t
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50171290
PNG
(5-(4-Bromo-phenyl)-1-(2,4-dichloro-phenyl)-4-ethyl...)
Show SMILES CCc1c(nn(c1-c1ccc(Br)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C23H23BrCl2N4O/c1-2-18-21(23(31)28-29-12-4-3-5-13-29)27-30(20-11-10-17(25)14-19(20)26)22(18)15-6-8-16(24)9-7-15/h6-11,14H,2-5,12-13H2,1H3,(H,28,31)
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3.5n/an/an/an/an/an/an/an/a



Universit£ Catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of [3H]CP-55940 binding to human cannabinoid receptor 1


J Med Chem 48: 5059-87 (2005)


Article DOI: 10.1021/jm058183t
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50171295
PNG
((Z)-2-Methyl-1-oxazolo[4,5-b]pyridin-2-yl-octadec-...)
Show SMILES CCCCCCCC\C=C/CCCCCCC(C)C(=O)c1nc2ncccc2o1
Show InChI InChI=1S/C25H38N2O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21(2)23(28)25-27-24-22(29-25)19-17-20-26-24/h10-11,17,19-21H,3-9,12-16,18H2,1-2H3/b11-10-
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9.10n/an/an/an/an/an/an/an/a



Universit£ Catholique de Louvain

Curated by ChEMBL


Assay Description
Binding affinity for fatty acid amide hydrolase


J Med Chem 48: 5059-87 (2005)


Article DOI: 10.1021/jm058183t
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM21281
PNG
((11R)-2-methyl-11-(morpholin-4-ylmethyl)-3-(naphth...)
Show SMILES Cc1c(C(=O)c2cccc3ccccc23)c2cccc3OC[C@@H](CN4CCOCC4)n1c23 |r|
Show InChI InChI=1S/C27H26N2O3/c1-18-25(27(30)22-9-4-7-19-6-2-3-8-21(19)22)23-10-5-11-24-26(23)29(18)20(17-32-24)16-28-12-14-31-15-13-28/h2-11,20H,12-17H2,1H3/t20-/m1/s1
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9.90n/an/an/an/an/an/an/an/a



Universit£ Catholique de Louvain

Curated by ChEMBL


Assay Description
Binding affinity for cannabinoid receptor 1


J Med Chem 48: 5059-87 (2005)


Article DOI: 10.1021/jm058183t
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50171296
PNG
(2-[((11Z,14Z)-Icosa-5,8,11,14-tetraenyl)oxy]-propa...)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCOC(CO)CO
Show InChI InChI=1S/C23H40O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26-23(21-24)22-25/h6-7,9-10,12-13,15-16,23-25H,2-5,8,11,14,17-22H2,1H3/b7-6-,10-9-,13-12-,16-15-
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21n/an/an/an/an/an/an/an/a



Universit£ Catholique de Louvain

Curated by ChEMBL


Assay Description
Binding affinity for cannabinoid receptor 1


J Med Chem 48: 5059-87 (2005)


Article DOI: 10.1021/jm058183t
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50073987
PNG
(1,1,1-Trifluoro-9-phenyl-nonan-2-one | 1,1,1-trifl...)
Show SMILES FC(F)(F)C(=O)CCCCCCCc1ccccc1
Show InChI InChI=1S/C15H19F3O/c16-15(17,18)14(19)12-8-3-1-2-5-9-13-10-6-4-7-11-13/h4,6-7,10-11H,1-3,5,8-9,12H2
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25n/an/an/an/an/an/an/an/a



Universit£ Catholique de Louvain

Curated by ChEMBL


Assay Description
Binding affinity for fatty acid amide hydrolase


J Med Chem 48: 5059-87 (2005)


Article DOI: 10.1021/jm058183t
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM85675
PNG
(Anandamide + PMSF | CHEMBL321585)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)NCCO
Show InChI InChI=1S/C24H41NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24(27)25-22-23-26/h6-7,9-10,12-13,15-16,26H,2-5,8,11,14,17-23H2,1H3,(H,25,27)/b7-6-,10-9-,13-12-,16-15-
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34n/an/an/an/an/an/an/an/a



Universit£ Catholique de Louvain

Curated by ChEMBL


Assay Description
Binding affinity for cannabinoid receptor 1


J Med Chem 48: 5059-87 (2005)


Article DOI: 10.1021/jm058183t
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM60994
PNG
((10R,10aR)-6,6,9-Trimethyl-3-pentyl-6a,7,8,10a-tet...)
Show SMILES CCCCCc1cc(O)c2[C@@H]3C=C(C)CC[C@H]3C(C)(C)Oc2c1 |r,t:11|
Show InChI InChI=1/C21H30O2/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15/h11-13,16-17,22H,5-10H2,1-4H3/t16-,17-/s2
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37n/an/an/an/an/an/an/an/a



Universit£ Catholique de Louvain

Curated by ChEMBL


Assay Description
Binding affinity for cannabinoid receptor 1


J Med Chem 48: 5059-87 (2005)


Article DOI: 10.1021/jm058183t
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM22988
PNG
((5Z,8Z,11Z,14Z)-N-(2-hydroxyethyl)icosa-5,8,11,14-...)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)NCCO
Show InChI InChI=1S/C22H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(25)23-20-21-24/h6-7,9-10,12-13,15-16,24H,2-5,8,11,14,17-21H2,1H3,(H,23,25)/b7-6-,10-9-,13-12-,16-15-
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50n/an/an/an/an/an/an/an/a



Universit£ Catholique de Louvain

Curated by ChEMBL


Assay Description
Binding affinity for human cannabinoid receptor 1


J Med Chem 48: 5059-87 (2005)


Article DOI: 10.1021/jm058183t
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50056457
PNG
((8Z,11Z,14Z)-N-(2-hydroxyethyl)icosa-8,11,14-trien...)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)NCCO
Show InChI InChI=1S/C22H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(25)23-20-21-24/h6-7,9-10,12-13,24H,2-5,8,11,14-21H2,1H3,(H,23,25)/b7-6-,10-9-,13-12-
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53n/an/an/an/an/an/an/an/a



Universit£ Catholique de Louvain

Curated by ChEMBL


Assay Description
Binding affinity for cannabinoid receptor 1


J Med Chem 48: 5059-87 (2005)


Article DOI: 10.1021/jm058183t
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM22988
PNG
((5Z,8Z,11Z,14Z)-N-(2-hydroxyethyl)icosa-5,8,11,14-...)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)NCCO
Show InChI InChI=1S/C22H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(25)23-20-21-24/h6-7,9-10,12-13,15-16,24H,2-5,8,11,14,17-21H2,1H3,(H,23,25)/b7-6-,10-9-,13-12-,16-15-
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72n/an/an/an/an/an/an/an/a



Universit£ Catholique de Louvain

Curated by ChEMBL


Assay Description
Binding affinity for cannabinoid receptor 1


J Med Chem 48: 5059-87 (2005)


Article DOI: 10.1021/jm058183t
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
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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94n/an/an/an/an/an/an/an/a



Universit£ Catholique de Louvain

Curated by ChEMBL


Assay Description
Binding affinity for human fatty acid amide hydrolase


J Med Chem 48: 5059-87 (2005)


Article DOI: 10.1021/jm058183t
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50073986
PNG
(1,1,1-Trifluoro-8-(4-heptyl-phenyl)-octan-2-one | ...)
Show SMILES CCCCCCCc1ccc(CCCCCCC(=O)C(F)(F)F)cc1
Show InChI InChI=1S/C21H31F3O/c1-2-3-4-5-8-11-18-14-16-19(17-15-18)12-9-6-7-10-13-20(25)21(22,23)24/h14-17H,2-13H2,1H3
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96n/an/an/an/an/an/an/an/a



Universit£ Catholique de Louvain

Curated by ChEMBL


Assay Description
Apparent binding affinity for fatty acid amide hydrolase


J Med Chem 48: 5059-87 (2005)


Article DOI: 10.1021/jm058183t
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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200n/an/an/an/an/an/an/an/a



Universit£ Catholique de Louvain

Curated by ChEMBL


Assay Description
Binding affinity for rat fatty acid amide hydrolase


J Med Chem 48: 5059-87 (2005)


Article DOI: 10.1021/jm058183t
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM20462
PNG
((5Z,8Z,11Z,14Z)-N-[2-(3,4-dihydroxyphenyl)ethyl]ic...)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)NCCc1ccc(O)c(O)c1
Show InChI InChI=1S/C28H41NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-28(32)29-23-22-25-20-21-26(30)27(31)24-25/h6-7,9-10,12-13,15-16,20-21,24,30-31H,2-5,8,11,14,17-19,22-23H2,1H3,(H,29,32)/b7-6-,10-9-,13-12-,16-15-
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250n/an/an/an/an/an/an/an/a



Universit£ Catholique de Louvain

Curated by ChEMBL


Assay Description
Binding affinity for cannabinoid receptor 1


J Med Chem 48: 5059-87 (2005)


Article DOI: 10.1021/jm058183t
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50171290
PNG
(5-(4-Bromo-phenyl)-1-(2,4-dichloro-phenyl)-4-ethyl...)
Show SMILES CCc1c(nn(c1-c1ccc(Br)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C23H23BrCl2N4O/c1-2-18-21(23(31)28-29-12-4-3-5-13-29)27-30(20-11-10-17(25)14-19(20)26)22(18)15-6-8-16(24)9-7-15/h6-11,14H,2-5,12-13H2,1H3,(H,28,31)
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442n/an/an/an/an/an/an/an/a



Universit£ Catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of [3H]CP-55940 binding to human cannabinoid receptor 2


J Med Chem 48: 5059-87 (2005)


Article DOI: 10.1021/jm058183t
More data for this
Ligand-Target Pair
Cannabinoid receptor


(Homo sapiens (Human))
BDBM50069269
PNG
((R)-octan-2-yl 4-bromo-3-oxobutanoate | 4-Bromo-3-...)
Show SMILES CCCCCC[C@@H](C)OC(=O)CC(=O)CBr
Show InChI InChI=1S/C12H21BrO3/c1-3-4-5-6-7-10(2)16-12(15)8-11(14)9-13/h10H,3-9H2,1-2H3/t10-/m1/s1
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800n/an/an/an/an/an/an/an/a



Universit£ Catholique de Louvain

Curated by ChEMBL


Assay Description
Binding affinity for Cannabinoid receptor


J Med Chem 48: 5059-87 (2005)


Article DOI: 10.1021/jm058183t
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM23028
PNG
((9Z)-octadec-9-enamide | 14C-labeled oleamide | CH...)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(N)=O
Show InChI InChI=1S/C18H35NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H2,19,20)/b10-9-
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1.14E+3n/an/an/an/an/an/an/an/a



Universit£ Catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of [3H]CP-55940 binding to rat cannabinoid receptor 1


J Med Chem 48: 5059-87 (2005)


Article DOI: 10.1021/jm058183t
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50171285
PNG
((5Z,8Z,11Z,14Z)-Icosa-5,8,11,14-tetraenoic acid 2-...)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OCCN
Show InChI InChI=1S/C22H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(24)25-21-20-23/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-21,23H2,1H3/b7-6-,10-9-,13-12-,16-15-
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1.90E+3n/an/an/an/an/an/an/an/a



Universit£ Catholique de Louvain

Curated by ChEMBL


Assay Description
Binding affinity for cannabinoid receptor 1


J Med Chem 48: 5059-87 (2005)


Article DOI: 10.1021/jm058183t
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50132714
PNG
((5Z,8Z,11Z,14Z)-Icosa-5,8,11,14-tetraenesulfonyl f...)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCS(F)(=O)=O
Show InChI InChI=1S/C20H33FO2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24(21,22)23/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-20H2,1H3/b7-6-,10-9-,13-12-,16-15-
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n/an/a 0.100n/an/an/an/an/an/a



Universit£ Catholique de Louvain

Curated by ChEMBL


Assay Description
Irreversible inhibition of fatty acid amide hydrolase


J Med Chem 48: 5059-87 (2005)


Article DOI: 10.1021/jm058183t
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
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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n/an/a 2.10n/an/an/an/an/an/a



Universit£ Catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibitory concentration against fatty acid amide hydrolase


J Med Chem 48: 5059-87 (2005)


Article DOI: 10.1021/jm058183t
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50132715
PNG
(CHEMBL97038 | Dodecanesulfonyl fluoride | dodecane...)
Show SMILES CCCCCCCCCCCCS(F)(=O)=O
Show InChI InChI=1S/C12H25FO2S/c1-2-3-4-5-6-7-8-9-10-11-12-16(13,14)15/h2-12H2,1H3
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n/an/a 3n/an/an/an/an/an/a



Universit£ Catholique de Louvain

Curated by ChEMBL


Assay Description
Irreversible inhibition of fatty acid amide hydrolase


J Med Chem 48: 5059-87 (2005)


Article DOI: 10.1021/jm058183t
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50132713
PNG
(Arachidonic acid derivative | CHEMBL113262 | Methy...)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCP(F)(=O)OC
Show InChI InChI=1S/C21H36FO2P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(22,23)24-2/h7-8,10-11,13-14,16-17H,3-6,9,12,15,18-21H2,1-2H3/b8-7-,11-10-,14-13-,17-16-
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n/an/a 3n/an/an/an/an/an/a



Universit£ Catholique de Louvain

Curated by ChEMBL


Assay Description
Irreversible inhibition of fatty acid amide hydrolase; range=1-3 nM


J Med Chem 48: 5059-87 (2005)


Article DOI: 10.1021/jm058183t
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50132716
PNG
(CHEMBL113263 | methyl dodecylphosphonofluoridoate)
Show SMILES CCCCCCCCCCCCP(F)(=O)OC
Show InChI InChI=1S/C13H28FO2P/c1-3-4-5-6-7-8-9-10-11-12-13-17(14,15)16-2/h3-13H2,1-2H3
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n/an/a 3n/an/an/an/an/an/a



Universit£ Catholique de Louvain

Curated by ChEMBL


Assay Description
Irreversible inhibition of fatty acid amide hydrolase


J Med Chem 48: 5059-87 (2005)


Article DOI: 10.1021/jm058183t
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50171287
PNG
(CHEMBL191481 | Octadecanesulfonyl fluoride)
Show SMILES CCCCCCCCCCCCCCCCCCS(F)(=O)=O
Show InChI InChI=1S/C18H37FO2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(19,20)21/h2-18H2,1H3
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n/an/a 4n/an/an/an/an/an/a



Universit£ Catholique de Louvain

Curated by ChEMBL


Assay Description
Irreversible inhibition of fatty acid amide hydrolase


J Med Chem 48: 5059-87 (2005)


Article DOI: 10.1021/jm058183t
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50171293
PNG
((6Z,9Z,12Z,15Z)-1-Diazo-henicosa-6,9,12,15-tetraen...)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)[CH-][N+]#N
Show InChI InChI=1S/C21H32N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(24)20-23-22/h6-7,9-10,12-13,15-16,20H,2-5,8,11,14,17-19H2,1H3/b7-6-,10-9-,13-12-,16-15-
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n/an/a 6n/an/an/an/an/an/a



Universit£ Catholique de Louvain

Curated by ChEMBL


Assay Description
Irreversible inhibition of fatty acid amide hydrolase; range= .5-6 nM


J Med Chem 48: 5059-87 (2005)


Article DOI: 10.1021/jm058183t
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50171292
PNG
(CHEMBL32827 | Hexadecanoic acid isopropylamide)
Show SMILES CCCCCCCCCCCCCCCC(=O)NC(C)C
Show InChI InChI=1S/C19H39NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(21)20-18(2)3/h18H,4-17H2,1-3H3,(H,20,21)
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n/an/a 13n/an/an/an/an/an/a



Universit£ Catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibitory concentration against fatty acid amide hydrolase


J Med Chem 48: 5059-87 (2005)


Article DOI: 10.1021/jm058183t
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Mus musculus (Mouse))
BDBM50132714
PNG
((5Z,8Z,11Z,14Z)-Icosa-5,8,11,14-tetraenesulfonyl f...)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCS(F)(=O)=O
Show InChI InChI=1S/C20H33FO2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24(21,22)23/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-20H2,1H3/b7-6-,10-9-,13-12-,16-15-
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n/an/a 304n/an/an/an/an/an/a



Universit£ Catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of [3H]CP-55940 binding to mouse Cannabinoid receptor 1


J Med Chem 48: 5059-87 (2005)


Article DOI: 10.1021/jm058183t
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50046268
PNG
(6-Bromomethylene-3-naphthalen-1-yl-tetrahydro-pyra...)
Show SMILES Br\C=C1/CCC(C(=O)O1)c1cccc2ccccc12
Show InChI InChI=1S/C16H13BrO2/c17-10-12-8-9-15(16(18)19-12)14-7-3-5-11-4-1-2-6-13(11)14/h1-7,10,15H,8-9H2/b12-10+
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n/an/a 800n/an/an/an/an/an/a



Universit£ Catholique de Louvain

Curated by ChEMBL


Assay Description
Irreversible inhibition of fatty acid amide hydrolase


J Med Chem 48: 5059-87 (2005)


Article DOI: 10.1021/jm058183t
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50069269
PNG
((R)-octan-2-yl 4-bromo-3-oxobutanoate | 4-Bromo-3-...)
Show SMILES CCCCCC[C@@H](C)OC(=O)CC(=O)CBr
Show InChI InChI=1S/C12H21BrO3/c1-3-4-5-6-7-10(2)16-12(15)8-11(14)9-13/h10H,3-9H2,1-2H3/t10-/m1/s1
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n/an/a 2.60E+3n/an/an/an/an/an/a



Universit£ Catholique de Louvain

Curated by ChEMBL


Assay Description
Irreversible inhibition of fatty acid amide hydrolase


J Med Chem 48: 5059-87 (2005)


Article DOI: 10.1021/jm058183t
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50059523
PNG
((6Z,9Z,12Z,15Z)-1,1,1-trifluorohenicosa-6,9,12,15-...)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)C(F)(F)F
Show InChI InChI=1S/C21H31F3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(25)21(22,23)24/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-19H2,1H3/b7-6-,10-9-,13-12-,16-15-
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n/an/a 3.00E+3n/an/an/an/an/an/a



Universit£ Catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of fatty acid amide hydrolase; range = .23-3 uM


J Med Chem 48: 5059-87 (2005)


Article DOI: 10.1021/jm058183t
More data for this
Ligand-Target Pair
N-acylethanolamine-hydrolyzing acid amidase


(Homo sapiens (Human))
BDBM50171299
PNG
(CHEMBL190662 | Cyclohexanecarboxylic acid pentadec...)
Show SMILES CCCCCCCCCCCCCCCNC(=O)C1CCCCC1
Show InChI InChI=1S/C22H43NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-23-22(24)21-18-15-14-16-19-21/h21H,2-20H2,1H3,(H,23,24)
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n/an/a 4.50E+3n/an/an/an/an/an/a



Universit£ Catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibitory concentration against N-palmitoylethanolamine acid amidase


J Med Chem 48: 5059-87 (2005)


Article DOI: 10.1021/jm058183t
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50056486
PNG
(((5Z,8Z)-Icosa-5,8,11,14-tetraenoylamino)-acetic a...)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)NCC(O)=O
Show InChI InChI=1S/C22H35NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(24)23-20-22(25)26/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-20H2,1H3,(H,23,24)(H,25,26)/b7-6-,10-9-,13-12-,16-15-
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n/an/a 7.00E+3n/an/an/an/an/an/a



Universit£ Catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of fatty acid amide hydrolase; range = 4.1-7 uM


J Med Chem 48: 5059-87 (2005)


Article DOI: 10.1021/jm058183t
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50171288
PNG
(Acetic acid pentadecylcarbamoylmethyl ester | CHEM...)
Show SMILES CCCCCCCCCCCCCCCNC(=O)COC(C)=O
Show InChI InChI=1S/C19H37NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-19(22)17-23-18(2)21/h3-17H2,1-2H3,(H,20,22)
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n/an/a 8.00E+3n/an/an/an/an/an/a



Universit£ Catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibitory concentration against fatty acid amide hydrolase


J Med Chem 48: 5059-87 (2005)


Article DOI: 10.1021/jm058183t
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50171298
PNG
(CHEMBL286321 | Hexadecanoylamino-acetic acid methy...)
Show SMILES CCCCCCCCCCCCCCCC(=O)NCC(=O)OC
Show InChI InChI=1S/C19H37NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(21)20-17-19(22)23-2/h3-17H2,1-2H3,(H,20,21)
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n/an/a 1.00E+4n/an/an/an/an/an/a



Universit£ Catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibitory concentration against fatty acid amide hydrolase


J Med Chem 48: 5059-87 (2005)


Article DOI: 10.1021/jm058183t
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM22987
PNG
((5Z,8Z,11Z,14Z)-N-[2-(5-hydroxy-1H-indol-3-yl)ethy...)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)NCCc1c[nH]c2ccc(O)cc12
Show InChI InChI=1S/C30H42N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-30(34)31-23-22-26-25-32-29-21-20-27(33)24-28(26)29/h6-7,9-10,12-13,15-16,20-21,24-25,32-33H,2-5,8,11,14,17-19,22-23H2,1H3,(H,31,34)/b7-6-,10-9-,13-12-,16-15-
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n/an/a 1.20E+4n/an/an/an/an/an/a



Universit£ Catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibitory concentration against fatty acid amide hydrolase


J Med Chem 48: 5059-87 (2005)


Article DOI: 10.1021/jm058183t
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50171289
PNG
(Benzenemethanesulfonyl fluoride | CHEMBL190503 | P...)
Show SMILES FS(=O)(=O)Cc1ccccc1
Show InChI InChI=1S/C7H7FO2S/c8-11(9,10)6-7-4-2-1-3-5-7/h1-5H,6H2
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n/an/a 1.30E+4n/an/an/an/an/an/a



Universit£ Catholique de Louvain

Curated by ChEMBL


Assay Description
Irreversible inhibition of fatty acid amide hydrolase


J Med Chem 48: 5059-87 (2005)


Article DOI: 10.1021/jm058183t
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50096882
PNG
((5Z,9Z,12Z)-Octadeca-5,9,12-trienoic acid [2-(3,4-...)
Show SMILES CCCCC\C=C/C\C=C/CC\C=C/CCCC(=O)NCCc1ccc(O)c(O)c1
Show InChI InChI=1S/C26H39NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26(30)27-21-20-23-18-19-24(28)25(29)22-23/h6-7,9-10,13-14,18-19,22,28-29H,2-5,8,11-12,15-17,20-21H2,1H3,(H,27,30)/b7-6-,10-9-,14-13-
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n/an/a 1.90E+4n/an/an/an/an/an/a



Universit£ Catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibitory concentration against fatty acid amide hydrolase


J Med Chem 48: 5059-87 (2005)


Article DOI: 10.1021/jm058183t
More data for this
Ligand-Target Pair
N-acylethanolamine-hydrolyzing acid amidase


(Homo sapiens (Human))
BDBM50171291
PNG
(CHEMBL139056 | Hexadecanoic acid cyclohexyl ester ...)
Show SMILES CCCCCCCCCCCCCCCC(=O)OC1CCCCC1
Show InChI InChI=1S/C22H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-22(23)24-21-18-15-14-16-19-21/h21H,2-20H2,1H3
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n/an/a 1.90E+4n/an/an/an/an/an/a



Universit£ Catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibitory concentration against N-palmitoylethanolamine acid amidase


J Med Chem 48: 5059-87 (2005)


Article DOI: 10.1021/jm058183t
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50128913
PNG
((5Z,8Z,11Z)-Icosa-5,8,11,14-tetraenoic acid 2-hydr...)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OCCO
Show InChI InChI=1S/C22H36O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(24)25-21-20-23/h6-7,9-10,12-13,15-16,23H,2-5,8,11,14,17-21H2,1H3/b7-6-,10-9-,13-12-,16-15-
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n/an/a>2.50E+4n/an/an/an/an/an/a



Universit£ Catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibitory concentration against fatty acid amide hydrolase


J Med Chem 48: 5059-87 (2005)


Article DOI: 10.1021/jm058183t
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM50128913
PNG
((5Z,8Z,11Z)-Icosa-5,8,11,14-tetraenoic acid 2-hydr...)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OCCO
Show InChI InChI=1S/C22H36O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(24)25-21-20-23/h6-7,9-10,12-13,15-16,23H,2-5,8,11,14,17-21H2,1H3/b7-6-,10-9-,13-12-,16-15-
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n/an/a 2.50E+4n/an/an/an/an/an/a



Universit£ Catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibitory concentration against monoacylglycerol lipase


J Med Chem 48: 5059-87 (2005)


Article DOI: 10.1021/jm058183t
More data for this
Ligand-Target Pair
N-acylethanolamine-hydrolyzing acid amidase


(Homo sapiens (Human))
BDBM50171294
PNG
(CHEMBL138543 | HEXADECYLPROPIONATE | Propionic aci...)
Show SMILES CCCCCCCCCCCCCCCCOC(=O)CC
Show InChI InChI=1S/C19H38O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-19(20)4-2/h3-18H2,1-2H3
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n/an/a 3.20E+4n/an/an/an/an/an/a



Universit£ Catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibitory concentration against N-palmitoylethanolamine acid amidase


J Med Chem 48: 5059-87 (2005)


Article DOI: 10.1021/jm058183t
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50058046
PNG
(CHEMBL526 | PROPOFOL | propofol)
Show SMILES CC(C)c1cccc(C(C)C)c1O
Show InChI InChI=1S/C12H18O/c1-8(2)10-6-5-7-11(9(3)4)12(10)13/h5-9,13H,1-4H3
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n/an/a 5.20E+4n/an/an/an/an/an/a



Universit£ Catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibitory concentration against fatty acid amide hydrolase


J Med Chem 48: 5059-87 (2005)


Article DOI: 10.1021/jm058183t
More data for this
Ligand-Target Pair
N-acylethanolamine-hydrolyzing acid amidase


(Homo sapiens (Human))
BDBM50171286
PNG
(3-Hydroxy-N-pentadecyl-propionamide | CHEMBL423904...)
Show SMILES CCCCCCCCCCCCCCCNC(=O)CCO
Show InChI InChI=1S/C18H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-18(21)15-17-20/h20H,2-17H2,1H3,(H,19,21)
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n/an/a 5.40E+4n/an/an/an/an/an/a



Universit£ Catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibitory concentration against N-palmitoylethanolamine acid amidase


J Med Chem 48: 5059-87 (2005)


Article DOI: 10.1021/jm058183t
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM23028
PNG
((9Z)-octadec-9-enamide | 14C-labeled oleamide | CH...)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(N)=O
Show InChI InChI=1S/C18H35NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H2,19,20)/b10-9-
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n/an/a 6.80E+4n/an/an/an/an/an/a



Universit£ Catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of fatty acid amide hydrolase; range = 22-68 uM


J Med Chem 48: 5059-87 (2005)


Article DOI: 10.1021/jm058183t
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%