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Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with Target = 'Fatty-acid amide hydrolase 1' and Ligand = 'BDBM50157122'   
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))
BDBM50157122
PNG
((Z)-1-(5-(pyridin-2-yl)oxazol-2-yl)octadec-9-en-1-...)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)c1ncc(o1)-c1ccccn1
Show InChI InChI=1S/C26H38N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-24(29)26-28-22-25(30-26)23-19-17-18-21-27-23/h9-10,17-19,21-22H,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
Inhibition of FAAH


J Med Chem 53: 230-40 (2010)


Article DOI: 10.1021/jm9012196
BindingDB Entry DOI: 10.7270/Q2FN168N
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50157122
PNG
((Z)-1-(5-(pyridin-2-yl)oxazol-2-yl)octadec-9-en-1-...)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)c1ncc(o1)-c1ccccn1
Show InChI InChI=1S/C26H38N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-24(29)26-28-22-25(30-26)23-19-17-18-21-27-23/h9-10,17-19,21-22H,2-8,11-16,20H2,1H3/b10-9-
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10n/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 human expressed in COS-7 cells


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 1


(Homo sapiens (Human))
BDBM50157122
PNG
((Z)-1-(5-(pyridin-2-yl)oxazol-2-yl)octadec-9-en-1-...)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)c1ncc(o1)-c1ccccn1
Show InChI InChI=1S/C26H38N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-24(29)26-28-22-25(30-26)23-19-17-18-21-27-23/h9-10,17-19,21-22H,2-8,11-16,20H2,1H3/b10-9-
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10n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FAAH


Bioorg Med Chem 16: 1562-95 (2008)


Article DOI: 10.1016/j.bmc.2007.11.015
BindingDB Entry DOI: 10.7270/Q21J9BNH
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Mus musculus (mouse))
BDBM50157122
PNG
((Z)-1-(5-(pyridin-2-yl)oxazol-2-yl)octadec-9-en-1-...)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)c1ncc(o1)-c1ccccn1
Show InChI InChI=1S/C26H38N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-24(29)26-28-22-25(30-26)23-19-17-18-21-27-23/h9-10,17-19,21-22H,2-8,11-16,20H2,1H3/b10-9-
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18n/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))
BDBM50157122
PNG
((Z)-1-(5-(pyridin-2-yl)oxazol-2-yl)octadec-9-en-1-...)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)c1ncc(o1)-c1ccccn1
Show InChI InChI=1S/C26H38N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-24(29)26-28-22-25(30-26)23-19-17-18-21-27-23/h9-10,17-19,21-22H,2-8,11-16,20H2,1H3/b10-9-
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n/an/a 150n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against Fatty-acid amide hydrolase


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 1


(Homo sapiens (Human))
BDBM50157122
PNG
((Z)-1-(5-(pyridin-2-yl)oxazol-2-yl)octadec-9-en-1-...)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)c1ncc(o1)-c1ccccn1
Show InChI InChI=1S/C26H38N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-24(29)26-28-22-25(30-26)23-19-17-18-21-27-23/h9-10,17-19,21-22H,2-8,11-16,20H2,1H3/b10-9-
PDB

UniProtKB/SwissProt

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PubMed
n/an/a 200n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration of fatty acid amide hydrolase using FP-Rh radioligand


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