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BDBM50157107 1-Benzooxazol-2-yl-6-phenyl-hexan-1-one::CHEMBL366907

SMILES: O=C(CCCCCc1ccccc1)c1nc2ccccc2o1

InChI Key: InChIKey=PCLBCMUYLOBYMW-UHFFFAOYSA-N

Data: 3 KI  5 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 8 hits for monomerid = 50157107   
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))
BDBM50157107
PNG
(1-Benzooxazol-2-yl-6-phenyl-hexan-1-one | CHEMBL36...)
Show SMILES O=C(CCCCCc1ccccc1)c1nc2ccccc2o1
Show InChI InChI=1S/C19H19NO2/c21-17(19-20-16-12-7-8-14-18(16)22-19)13-6-2-5-11-15-9-3-1-4-10-15/h1,3-4,7-10,12,14H,2,5-6,11,13H2
PDB
MMDB

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PC sid
UniChem

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Article
PubMed
220n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against purified rat Fatty-acid amide hydrolase (FAAH) expressed in Escherichia coli


Bioorg Med Chem Lett 15: 103-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.025
BindingDB Entry DOI: 10.7270/Q2MC8ZGW
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Mus musculus (mouse))
BDBM50157107
PNG
(1-Benzooxazol-2-yl-6-phenyl-hexan-1-one | CHEMBL36...)
Show SMILES O=C(CCCCCc1ccccc1)c1nc2ccccc2o1
Show InChI InChI=1S/C19H19NO2/c21-17(19-20-16-12-7-8-14-18(16)22-19)13-6-2-5-11-15-9-3-1-4-10-15/h1,3-4,7-10,12,14H,2,5-6,11,13H2
PDB
MMDB

KEGG

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PC sid
UniChem

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Article
PubMed
220n/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))
BDBM50157107
PNG
(1-Benzooxazol-2-yl-6-phenyl-hexan-1-one | CHEMBL36...)
Show SMILES O=C(CCCCCc1ccccc1)c1nc2ccccc2o1
Show InChI InChI=1S/C19H19NO2/c21-17(19-20-16-12-7-8-14-18(16)22-19)13-6-2-5-11-15-9-3-1-4-10-15/h1,3-4,7-10,12,14H,2,5-6,11,13H2
PDB
MMDB

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UniChem

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Article
PubMed
220n/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
Sn1-specific diacylglycerol lipase alpha


(Homo sapiens (Human))
BDBM50157107
PNG
(1-Benzooxazol-2-yl-6-phenyl-hexan-1-one | CHEMBL36...)
Show SMILES O=C(CCCCCc1ccccc1)c1nc2ccccc2o1
Show InChI InChI=1S/C19H19NO2/c21-17(19-20-16-12-7-8-14-18(16)22-19)13-6-2-5-11-15-9-3-1-4-10-15/h1,3-4,7-10,12,14H,2,5-6,11,13H2
NCI pathway
Reactome pathway
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PubMed
n/an/a 3.63E+3n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of full-length human DAGLalpha expressed in HEK293T cell membranes using para-nitrophenylbutyrate by colorimetric assay


J Med Chem 58: 9742-53 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01627
BindingDB Entry DOI: 10.7270/Q2D50QZ9
More data for this
Ligand-Target Pair
Acyl-CoA: cholesterol acyltransferase (ACAT)


(Homo sapiens (Human))
BDBM50157107
PNG
(1-Benzooxazol-2-yl-6-phenyl-hexan-1-one | CHEMBL36...)
Show SMILES O=C(CCCCCc1ccccc1)c1nc2ccccc2o1
Show InChI InChI=1S/C19H19NO2/c21-17(19-20-16-12-7-8-14-18(16)22-19)13-6-2-5-11-15-9-3-1-4-10-15/h1,3-4,7-10,12,14H,2,5-6,11,13H2
PDB

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PC sid
UniChem

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Article
PubMed
n/an/a 20n/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))
BDBM50157107
PNG
(1-Benzooxazol-2-yl-6-phenyl-hexan-1-one | CHEMBL36...)
Show SMILES O=C(CCCCCc1ccccc1)c1nc2ccccc2o1
Show InChI InChI=1S/C19H19NO2/c21-17(19-20-16-12-7-8-14-18(16)22-19)13-6-2-5-11-15-9-3-1-4-10-15/h1,3-4,7-10,12,14H,2,5-6,11,13H2
PDB

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Article
PubMed
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
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50157107
PNG
(1-Benzooxazol-2-yl-6-phenyl-hexan-1-one | CHEMBL36...)
Show SMILES O=C(CCCCCc1ccccc1)c1nc2ccccc2o1
Show InChI InChI=1S/C19H19NO2/c21-17(19-20-16-12-7-8-14-18(16)22-19)13-6-2-5-11-15-9-3-1-4-10-15/h1,3-4,7-10,12,14H,2,5-6,11,13H2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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))
BDBM50157107
PNG
(1-Benzooxazol-2-yl-6-phenyl-hexan-1-one | CHEMBL36...)
Show SMILES O=C(CCCCCc1ccccc1)c1nc2ccccc2o1
Show InChI InChI=1S/C19H19NO2/c21-17(19-20-16-12-7-8-14-18(16)22-19)13-6-2-5-11-15-9-3-1-4-10-15/h1,3-4,7-10,12,14H,2,5-6,11,13H2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 20n/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