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BDBM50100864 (Z)-1-(oxazol-2-yl)octadec-9-en-1-one::(Z)-1-Oxazol-2-yl-octadec-9-en-1-one::1-(oxazol-2-yl)octadec-9-en-1-one::1-Oxazol-2-yl-nonadec-10-en-2-one::CHEMBL39412

SMILES: CCCCCCCC\C=C/CCCCCCCC(=O)c1ncco1

InChI Key: InChIKey=WWYUNXGFLPTVRR-KTKRTIGZSA-N

Data: 9 KI  4 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 13 hits for monomerid = 50100864   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM50100864
PNG
((Z)-1-(oxazol-2-yl)octadec-9-en-1-one | (Z)-1-Oxaz...)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)c1ncco1
Show InChI InChI=1S/C21H35NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)21-22-18-19-24-21/h9-10,18-19H,2-8,11-17H2,1H3/b10-9-
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PubMed
17n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of rat 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


(Homo sapiens (Human))
BDBM50100864
PNG
((Z)-1-(oxazol-2-yl)octadec-9-en-1-one | (Z)-1-Oxaz...)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)c1ncco1
Show InChI InChI=1S/C21H35NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)21-22-18-19-24-21/h9-10,18-19H,2-8,11-17H2,1H3/b10-9-
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45n/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 [30-579]


(Rattus norvegicus (rat))
BDBM50100864
PNG
((Z)-1-(oxazol-2-yl)octadec-9-en-1-one | (Z)-1-Oxaz...)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)c1ncco1
Show InChI InChI=1S/C21H35NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)21-22-18-19-24-21/h9-10,18-19H,2-8,11-17H2,1H3/b10-9-
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100n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of rat FAAH assessed as conversion [14]C-oleamide to oleic acid


Bioorg Med Chem Lett 21: 4674-85 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.096
BindingDB Entry DOI: 10.7270/Q2W959JK
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Mus musculus (mouse))
BDBM50100864
PNG
((Z)-1-(oxazol-2-yl)octadec-9-en-1-one | (Z)-1-Oxaz...)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)c1ncco1
Show InChI InChI=1S/C21H35NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)21-22-18-19-24-21/h9-10,18-19H,2-8,11-17H2,1H3/b10-9-
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100n/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 [30-579]


(Rattus norvegicus (rat))
BDBM50100864
PNG
((Z)-1-(oxazol-2-yl)octadec-9-en-1-one | (Z)-1-Oxaz...)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)c1ncco1
Show InChI InChI=1S/C21H35NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)21-22-18-19-24-21/h9-10,18-19H,2-8,11-17H2,1H3/b10-9-
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100n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Competitive inhibition of rat FAAH by Lineweaver-Burk plot analysis


Bioorg Med Chem 22: 2763-70 (2014)


Article DOI: 10.1016/j.bmc.2014.03.013
BindingDB Entry DOI: 10.7270/Q2X92CVM
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM50100864
PNG
((Z)-1-(oxazol-2-yl)octadec-9-en-1-one | (Z)-1-Oxaz...)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)c1ncco1
Show InChI InChI=1S/C21H35NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)21-22-18-19-24-21/h9-10,18-19H,2-8,11-17H2,1H3/b10-9-
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100n/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 1


(Homo sapiens (Human))
BDBM50100864
PNG
((Z)-1-(oxazol-2-yl)octadec-9-en-1-one | (Z)-1-Oxaz...)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)c1ncco1
Show InChI InChI=1S/C21H35NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)21-22-18-19-24-21/h9-10,18-19H,2-8,11-17H2,1H3/b10-9-
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100n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of FAAH


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 [30-579]


(Rattus norvegicus (rat))
BDBM50100864
PNG
((Z)-1-(oxazol-2-yl)octadec-9-en-1-one | (Z)-1-Oxaz...)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)c1ncco1
Show InChI InChI=1S/C21H35NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)21-22-18-19-24-21/h9-10,18-19H,2-8,11-17H2,1H3/b10-9-
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100n/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 [30-579]


(Rattus norvegicus (rat))
BDBM50100864
PNG
((Z)-1-(oxazol-2-yl)octadec-9-en-1-one | (Z)-1-Oxaz...)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)c1ncco1
Show InChI InChI=1S/C21H35NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)21-22-18-19-24-21/h9-10,18-19H,2-8,11-17H2,1H3/b10-9-
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100n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against fatty acid amide hydrolase (FAAH)


Bioorg Med Chem Lett 11: 1517-20 (2001)


BindingDB Entry DOI: 10.7270/Q2NG4PWS
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50100864
PNG
((Z)-1-(oxazol-2-yl)octadec-9-en-1-one | (Z)-1-Oxaz...)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)c1ncco1
Show InChI InChI=1S/C21H35NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)21-22-18-19-24-21/h9-10,18-19H,2-8,11-17H2,1H3/b10-9-
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n/an/a 2.00E+3n/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
Liver carboxylesterase 1


(Homo sapiens (Human))
BDBM50100864
PNG
((Z)-1-(oxazol-2-yl)octadec-9-en-1-one | (Z)-1-Oxaz...)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)c1ncco1
Show InChI InChI=1S/C21H35NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)21-22-18-19-24-21/h9-10,18-19H,2-8,11-17H2,1H3/b10-9-
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n/an/a 9.00E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration of triacylgylcerol 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
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50100864
PNG
((Z)-1-(oxazol-2-yl)octadec-9-en-1-one | (Z)-1-Oxaz...)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)c1ncco1
Show InChI InChI=1S/C21H35NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)21-22-18-19-24-21/h9-10,18-19H,2-8,11-17H2,1H3/b10-9-
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n/an/a 2.00E+3n/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
Liver carboxylesterase 1


(Homo sapiens (Human))
BDBM50100864
PNG
((Z)-1-(oxazol-2-yl)octadec-9-en-1-one | (Z)-1-Oxaz...)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)c1ncco1
Show InChI InChI=1S/C21H35NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)21-22-18-19-24-21/h9-10,18-19H,2-8,11-17H2,1H3/b10-9-
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n/an/a 9.00E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against Triacylglycerol 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