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BDBM50161521 (Z)-1-(5-Phenyl-oxazol-2-yl)-octadec-9-en-1-one::(Z)-1-(5-phenyloxazol-2-yl)octadec-9-en-1-one::1-(5-Phenyl-oxazol-2-yl)-nonadec-10-en-2-one::1-(5-phenyloxazol-2-yl)octadec-9-en-1-one::CHEMBL426410

SMILES: CCCCCCCC\C=C/CCCCCCCC(=O)c1ncc(o1)-c1ccccc1

InChI Key: InChIKey=JBJNKCWDUQMEEA-KTKRTIGZSA-N

Data: 4 KI  2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50161521   
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 (aa 30-579)


(Rattus norvegicus (rat))
BDBM50161521
PNG
((Z)-1-(5-Phenyl-oxazol-2-yl)-octadec-9-en-1-one | ...)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)c1ncc(o1)-c1ccccc1
Show InChI InChI=1S/C27H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-25(29)27-28-23-26(30-27)24-20-17-16-18-21-24/h9-10,16-18,20-21,23H,2-8,11-15,19,22H2,1H3/b10-9-
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Article
PubMed
320n/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


(Mus musculus (mouse))
BDBM50161521
PNG
((Z)-1-(5-Phenyl-oxazol-2-yl)-octadec-9-en-1-one | ...)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)c1ncc(o1)-c1ccccc1
Show InChI InChI=1S/C27H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-25(29)27-28-23-26(30-27)24-20-17-16-18-21-24/h9-10,16-18,20-21,23H,2-8,11-15,19,22H2,1H3/b10-9-
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KEGG

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PubMed
320n/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 (aa 30-579)


(Rattus norvegicus (rat))
BDBM50161521
PNG
((Z)-1-(5-Phenyl-oxazol-2-yl)-octadec-9-en-1-one | ...)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)c1ncc(o1)-c1ccccc1
Show InChI InChI=1S/C27H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-25(29)27-28-23-26(30-27)24-20-17-16-18-21-24/h9-10,16-18,20-21,23H,2-8,11-15,19,22H2,1H3/b10-9-
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320n/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 (aa 30-579)


(Rattus norvegicus (rat))
BDBM50161521
PNG
((Z)-1-(5-Phenyl-oxazol-2-yl)-octadec-9-en-1-one | ...)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)c1ncc(o1)-c1ccccc1
Show InChI InChI=1S/C27H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-25(29)27-28-23-26(30-27)24-20-17-16-18-21-24/h9-10,16-18,20-21,23H,2-8,11-15,19,22H2,1H3/b10-9-
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320n/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
Acyl-CoA: cholesterol acyltransferase (ACAT)


(Homo sapiens (Human))
BDBM50161521
PNG
((Z)-1-(5-Phenyl-oxazol-2-yl)-octadec-9-en-1-one | ...)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)c1ncc(o1)-c1ccccc1
Show InChI InChI=1S/C27H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-25(29)27-28-23-26(30-27)24-20-17-16-18-21-24/h9-10,16-18,20-21,23H,2-8,11-15,19,22H2,1H3/b10-9-
PDB

KEGG

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Article
PubMed
n/an/a 5.00E+4n/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))
BDBM50161521
PNG
((Z)-1-(5-Phenyl-oxazol-2-yl)-octadec-9-en-1-one | ...)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)c1ncc(o1)-c1ccccc1
Show InChI InChI=1S/C27H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-25(29)27-28-23-26(30-27)24-20-17-16-18-21-24/h9-10,16-18,20-21,23H,2-8,11-15,19,22H2,1H3/b10-9-
PDB

UniProtKB/SwissProt

antibodypedia
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PubMed
n/an/a 5.00E+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