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BDBM50247103 7-phenyl-1-(4-(pyridin-4-yl)oxazol-2-yl)heptan-1-one::CHEMBL513787

SMILES: O=C(CCCCCCc1ccccc1)c1nc(co1)-c1ccncc1

InChI Key: InChIKey=BOPKKKHUCAPEJT-UHFFFAOYSA-N

Data: 1 KI  4 IC50

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

Found 5 hits for monomerid = 50247103   
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))
BDBM50247103
PNG
(7-phenyl-1-(4-(pyridin-4-yl)oxazol-2-yl)heptan-1-o...)
Show SMILES O=C(CCCCCCc1ccccc1)c1nc(co1)-c1ccncc1
Show InChI InChI=1S/C21H22N2O2/c24-20(11-7-2-1-4-8-17-9-5-3-6-10-17)21-23-19(16-25-21)18-12-14-22-15-13-18/h3,5-6,9-10,12-16H,1-2,4,7-8,11H2
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PC sid
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Article
PubMed
1.60n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of rat FAAH


Bioorg Med Chem Lett 18: 5842-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.084
BindingDB Entry DOI: 10.7270/Q2DN44V8
More data for this
Ligand-Target Pair
Sn1-specific diacylglycerol lipase alpha


(Homo sapiens (Human))
BDBM50247103
PNG
(7-phenyl-1-(4-(pyridin-4-yl)oxazol-2-yl)heptan-1-o...)
Show SMILES O=C(CCCCCCc1ccccc1)c1nc(co1)-c1ccncc1
Show InChI InChI=1S/C21H22N2O2/c24-20(11-7-2-1-4-8-17-9-5-3-6-10-17)21-23-19(16-25-21)18-12-14-22-15-13-18/h3,5-6,9-10,12-16H,1-2,4,7-8,11H2
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Article
PubMed
n/an/a<1.00E+4n/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
Fatty-acid amide hydrolase 1 (aa 30-579)


(Rattus norvegicus (rat))
BDBM50247103
PNG
(7-phenyl-1-(4-(pyridin-4-yl)oxazol-2-yl)heptan-1-o...)
Show SMILES O=C(CCCCCCc1ccccc1)c1nc(co1)-c1ccncc1
Show InChI InChI=1S/C21H22N2O2/c24-20(11-7-2-1-4-8-17-9-5-3-6-10-17)21-23-19(16-25-21)18-12-14-22-15-13-18/h3,5-6,9-10,12-16H,1-2,4,7-8,11H2
PDB
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PC sid
UniChem

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Article
PubMed
n/an/a 140n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of rat FAAH


Bioorg Med Chem Lett 18: 5842-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.084
BindingDB Entry DOI: 10.7270/Q2DN44V8
More data for this
Ligand-Target Pair
Neutral cholesterol ester hydrolase 1


(Homo sapiens (Human))
BDBM50247103
PNG
(7-phenyl-1-(4-(pyridin-4-yl)oxazol-2-yl)heptan-1-o...)
Show SMILES O=C(CCCCCCc1ccccc1)c1nc(co1)-c1ccncc1
Show InChI InChI=1S/C21H22N2O2/c24-20(11-7-2-1-4-8-17-9-5-3-6-10-17)21-23-19(16-25-21)18-12-14-22-15-13-18/h3,5-6,9-10,12-16H,1-2,4,7-8,11H2
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Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of KIAA1363 (unknown origin)


Bioorg Med Chem Lett 18: 5842-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.084
BindingDB Entry DOI: 10.7270/Q2DN44V8
More data for this
Ligand-Target Pair
Acyl-CoA: cholesterol acyltransferase (ACAT)


(Homo sapiens (Human))
BDBM50247103
PNG
(7-phenyl-1-(4-(pyridin-4-yl)oxazol-2-yl)heptan-1-o...)
Show SMILES O=C(CCCCCCc1ccccc1)c1nc(co1)-c1ccncc1
Show InChI InChI=1S/C21H22N2O2/c24-20(11-7-2-1-4-8-17-9-5-3-6-10-17)21-23-19(16-25-21)18-12-14-22-15-13-18/h3,5-6,9-10,12-16H,1-2,4,7-8,11H2
PDB

KEGG

UniProtKB/SwissProt

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GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 700n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of TGH (unknown origin)


Bioorg Med Chem Lett 18: 5842-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.084
BindingDB Entry DOI: 10.7270/Q2DN44V8
More data for this
Ligand-Target Pair