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BDBM50100871 (Z)-1-(benzo[d]oxazol-2-yl)octadec-9-en-1-one::(Z)-1-Benzooxazol-2-yl-octadec-9-en-1-one::1-Benzooxazol-2-yl-nonadec-10-en-2-one::CHEMBL285678

SMILES: CCCCCCCC\C=C/CCCCCCCC(=O)c1nc2ccccc2o1

InChI Key: InChIKey=APIPEDDJLOMNRC-KTKRTIGZSA-N

Data: 7 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 11 hits for monomerid = 50100871   
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


(Homo sapiens (Human))
BDBM50100871
PNG
((Z)-1-(benzo[d]oxazol-2-yl)octadec-9-en-1-one | (Z...)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)c1nc2ccccc2o1
Show InChI InChI=1S/C25H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23(27)25-26-22-19-17-18-21-24(22)28-25/h9-10,17-19,21H,2-8,11-16,20H2,1H3/b10-9-
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PubMed
73n/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 (aa 30-579)


(Rattus norvegicus (rat))
BDBM50100871
PNG
((Z)-1-(benzo[d]oxazol-2-yl)octadec-9-en-1-one | (Z...)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)c1nc2ccccc2o1
Show InChI InChI=1S/C25H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23(27)25-26-22-19-17-18-21-24(22)28-25/h9-10,17-19,21H,2-8,11-16,20H2,1H3/b10-9-
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150n/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 (aa 30-579)


(Rattus norvegicus (rat))
BDBM50100871
PNG
((Z)-1-(benzo[d]oxazol-2-yl)octadec-9-en-1-one | (Z...)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)c1nc2ccccc2o1
Show InChI InChI=1S/C25H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23(27)25-26-22-19-17-18-21-24(22)28-25/h9-10,17-19,21H,2-8,11-16,20H2,1H3/b10-9-
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370n/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))
BDBM50100871
PNG
((Z)-1-(benzo[d]oxazol-2-yl)octadec-9-en-1-one | (Z...)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)c1nc2ccccc2o1
Show InChI InChI=1S/C25H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23(27)25-26-22-19-17-18-21-24(22)28-25/h9-10,17-19,21H,2-8,11-16,20H2,1H3/b10-9-
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370n/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 (aa 30-579)


(Rattus norvegicus (rat))
BDBM50100871
PNG
((Z)-1-(benzo[d]oxazol-2-yl)octadec-9-en-1-one | (Z...)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)c1nc2ccccc2o1
Show InChI InChI=1S/C25H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23(27)25-26-22-19-17-18-21-24(22)28-25/h9-10,17-19,21H,2-8,11-16,20H2,1H3/b10-9-
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370n/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 (aa 30-579)


(Rattus norvegicus (rat))
BDBM50100871
PNG
((Z)-1-(benzo[d]oxazol-2-yl)octadec-9-en-1-one | (Z...)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)c1nc2ccccc2o1
Show InChI InChI=1S/C25H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23(27)25-26-22-19-17-18-21-24(22)28-25/h9-10,17-19,21H,2-8,11-16,20H2,1H3/b10-9-
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370n/an/an/an/an/an/an/an/a



Universit£ de Lille

Curated by ChEMBL


Assay Description
Inhibition of rat FAAH assessed as reduction in [14C]oleamide conversion to oleic acid by Lineweaver-Burk plot analysis


J Med Chem 60: 4-46 (2017)


Article DOI: 10.1021/acs.jmedchem.6b00538
BindingDB Entry DOI: 10.7270/Q2348NZC
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Mus musculus (mouse))
BDBM50100871
PNG
((Z)-1-(benzo[d]oxazol-2-yl)octadec-9-en-1-one | (Z...)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)c1nc2ccccc2o1
Show InChI InChI=1S/C25H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23(27)25-26-22-19-17-18-21-24(22)28-25/h9-10,17-19,21H,2-8,11-16,20H2,1H3/b10-9-
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370n/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
Acyl-CoA: cholesterol acyltransferase (ACAT)


(Homo sapiens (Human))
BDBM50100871
PNG
((Z)-1-(benzo[d]oxazol-2-yl)octadec-9-en-1-one | (Z...)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)c1nc2ccccc2o1
Show InChI InChI=1S/C25H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23(27)25-26-22-19-17-18-21-24(22)28-25/h9-10,17-19,21H,2-8,11-16,20H2,1H3/b10-9-
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n/an/a 1.00E+4n/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
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50100871
PNG
((Z)-1-(benzo[d]oxazol-2-yl)octadec-9-en-1-one | (Z...)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)c1nc2ccccc2o1
Show InChI InChI=1S/C25H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23(27)25-26-22-19-17-18-21-24(22)28-25/h9-10,17-19,21H,2-8,11-16,20H2,1H3/b10-9-
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n/an/a 1.00E+4n/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
Acyl-CoA: cholesterol acyltransferase (ACAT)


(Homo sapiens (Human))
BDBM50100871
PNG
((Z)-1-(benzo[d]oxazol-2-yl)octadec-9-en-1-one | (Z...)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)c1nc2ccccc2o1
Show InChI InChI=1S/C25H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23(27)25-26-22-19-17-18-21-24(22)28-25/h9-10,17-19,21H,2-8,11-16,20H2,1H3/b10-9-
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n/an/a 1.00E+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))
BDBM50100871
PNG
((Z)-1-(benzo[d]oxazol-2-yl)octadec-9-en-1-one | (Z...)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)c1nc2ccccc2o1
Show InChI InChI=1S/C25H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23(27)25-26-22-19-17-18-21-24(22)28-25/h9-10,17-19,21H,2-8,11-16,20H2,1H3/b10-9-
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n/an/a 1.00E+4n/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