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BDBM50204512 2-(7-phenylheptanoyl)oxazole-5-carbonitrile::CHEMBL220770

SMILES: O=C(CCCCCCc1ccccc1)c1ncc(o1)C#N

InChI Key: InChIKey=JOWNZAGZZQQDKI-UHFFFAOYSA-N

Data: 6 KI  9 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 15 hits for monomerid = 50204512   
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
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50204512
PNG
(2-(7-phenylheptanoyl)oxazole-5-carbonitrile | CHEM...)
Show SMILES O=C(CCCCCCc1ccccc1)c1ncc(o1)C#N
Show InChI InChI=1S/C17H18N2O2/c18-12-15-13-19-17(21-15)16(20)11-7-2-1-4-8-14-9-5-3-6-10-14/h3,5-6,9-10,13H,1-2,4,7-8,11H2
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0.400n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant FAAH expressed in Escherichia coli


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


(Homo sapiens (Human))
BDBM50204512
PNG
(2-(7-phenylheptanoyl)oxazole-5-carbonitrile | CHEM...)
Show SMILES O=C(CCCCCCc1ccccc1)c1ncc(o1)C#N
Show InChI InChI=1S/C17H18N2O2/c18-12-15-13-19-17(21-15)16(20)11-7-2-1-4-8-14-9-5-3-6-10-14/h3,5-6,9-10,13H,1-2,4,7-8,11H2
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0.400n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of FAAH


J Med Chem 54: 2529-91 (2011)


Article DOI: 10.1021/jm1013693
BindingDB Entry DOI: 10.7270/Q24M95PH
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50204512
PNG
(2-(7-phenylheptanoyl)oxazole-5-carbonitrile | CHEM...)
Show SMILES O=C(CCCCCCc1ccccc1)c1ncc(o1)C#N
Show InChI InChI=1S/C17H18N2O2/c18-12-15-13-19-17(21-15)16(20)11-7-2-1-4-8-14-9-5-3-6-10-14/h3,5-6,9-10,13H,1-2,4,7-8,11H2
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0.400n/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))
BDBM50204512
PNG
(2-(7-phenylheptanoyl)oxazole-5-carbonitrile | CHEM...)
Show SMILES O=C(CCCCCCc1ccccc1)c1ncc(o1)C#N
Show InChI InChI=1S/C17H18N2O2/c18-12-15-13-19-17(21-15)16(20)11-7-2-1-4-8-14-9-5-3-6-10-14/h3,5-6,9-10,13H,1-2,4,7-8,11H2
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0.400n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant FAAH expressed in Escherichia coli by [14C]oleamide breakdown


J Med Chem 50: 1058-68 (2007)


Article DOI: 10.1021/jm0611509
BindingDB Entry DOI: 10.7270/Q26H4J6G
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50204512
PNG
(2-(7-phenylheptanoyl)oxazole-5-carbonitrile | CHEM...)
Show SMILES O=C(CCCCCCc1ccccc1)c1ncc(o1)C#N
Show InChI InChI=1S/C17H18N2O2/c18-12-15-13-19-17(21-15)16(20)11-7-2-1-4-8-14-9-5-3-6-10-14/h3,5-6,9-10,13H,1-2,4,7-8,11H2
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0.400n/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
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50204512
PNG
(2-(7-phenylheptanoyl)oxazole-5-carbonitrile | CHEM...)
Show SMILES O=C(CCCCCCc1ccccc1)c1ncc(o1)C#N
Show InChI InChI=1S/C17H18N2O2/c18-12-15-13-19-17(21-15)16(20)11-7-2-1-4-8-14-9-5-3-6-10-14/h3,5-6,9-10,13H,1-2,4,7-8,11H2
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1n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human FAAH expressed in COS7 cells by [14C]oleamide breakdown


J Med Chem 50: 1058-68 (2007)


Article DOI: 10.1021/jm0611509
BindingDB Entry DOI: 10.7270/Q26H4J6G
More data for this
Ligand-Target Pair
Acyl-CoA: cholesterol acyltransferase (ACAT)


(Homo sapiens (Human))
BDBM50204512
PNG
(2-(7-phenylheptanoyl)oxazole-5-carbonitrile | CHEM...)
Show SMILES O=C(CCCCCCc1ccccc1)c1ncc(o1)C#N
Show InChI InChI=1S/C17H18N2O2/c18-12-15-13-19-17(21-15)16(20)11-7-2-1-4-8-14-9-5-3-6-10-14/h3,5-6,9-10,13H,1-2,4,7-8,11H2
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n/an/a 20n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of TGH


J Med Chem 50: 1058-68 (2007)


Article DOI: 10.1021/jm0611509
BindingDB Entry DOI: 10.7270/Q26H4J6G
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50204512
PNG
(2-(7-phenylheptanoyl)oxazole-5-carbonitrile | CHEM...)
Show SMILES O=C(CCCCCCc1ccccc1)c1ncc(o1)C#N
Show InChI InChI=1S/C17H18N2O2/c18-12-15-13-19-17(21-15)16(20)11-7-2-1-4-8-14-9-5-3-6-10-14/h3,5-6,9-10,13H,1-2,4,7-8,11H2
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n/an/a 6.5n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant FAAH expressed in Escherichia coli by [14C]oleamide breakdown


J Med Chem 50: 1058-68 (2007)


Article DOI: 10.1021/jm0611509
BindingDB Entry DOI: 10.7270/Q26H4J6G
More data for this
Ligand-Target Pair
Neutral cholesterol ester hydrolase 1


(Homo sapiens (Human))
BDBM50204512
PNG
(2-(7-phenylheptanoyl)oxazole-5-carbonitrile | CHEM...)
Show SMILES O=C(CCCCCCc1ccccc1)c1ncc(o1)C#N
Show InChI InChI=1S/C17H18N2O2/c18-12-15-13-19-17(21-15)16(20)11-7-2-1-4-8-14-9-5-3-6-10-14/h3,5-6,9-10,13H,1-2,4,7-8,11H2
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n/an/a>1.00E+5n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of KIAA1363


J Med Chem 50: 1058-68 (2007)


Article DOI: 10.1021/jm0611509
BindingDB Entry DOI: 10.7270/Q26H4J6G
More data for this
Ligand-Target Pair
Acyl-CoA: cholesterol acyltransferase (ACAT)


(Homo sapiens (Human))
BDBM50204512
PNG
(2-(7-phenylheptanoyl)oxazole-5-carbonitrile | CHEM...)
Show SMILES O=C(CCCCCCc1ccccc1)c1ncc(o1)C#N
Show InChI InChI=1S/C17H18N2O2/c18-12-15-13-19-17(21-15)16(20)11-7-2-1-4-8-14-9-5-3-6-10-14/h3,5-6,9-10,13H,1-2,4,7-8,11H2
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n/an/a 20n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of TGH


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
Neutral cholesterol ester hydrolase 1


(Homo sapiens (Human))
BDBM50204512
PNG
(2-(7-phenylheptanoyl)oxazole-5-carbonitrile | CHEM...)
Show SMILES O=C(CCCCCCc1ccccc1)c1ncc(o1)C#N
Show InChI InChI=1S/C17H18N2O2/c18-12-15-13-19-17(21-15)16(20)11-7-2-1-4-8-14-9-5-3-6-10-14/h3,5-6,9-10,13H,1-2,4,7-8,11H2
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n/an/a>1.00E+5n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of KIAA1363


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
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50204512
PNG
(2-(7-phenylheptanoyl)oxazole-5-carbonitrile | CHEM...)
Show SMILES O=C(CCCCCCc1ccccc1)c1ncc(o1)C#N
Show InChI InChI=1S/C17H18N2O2/c18-12-15-13-19-17(21-15)16(20)11-7-2-1-4-8-14-9-5-3-6-10-14/h3,5-6,9-10,13H,1-2,4,7-8,11H2
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n/an/a 6.5n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant FAAH expressed in Escherichia coli


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
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50204512
PNG
(2-(7-phenylheptanoyl)oxazole-5-carbonitrile | CHEM...)
Show SMILES O=C(CCCCCCc1ccccc1)c1ncc(o1)C#N
Show InChI InChI=1S/C17H18N2O2/c18-12-15-13-19-17(21-15)16(20)11-7-2-1-4-8-14-9-5-3-6-10-14/h3,5-6,9-10,13H,1-2,4,7-8,11H2
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n/an/a 7n/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))
BDBM50204512
PNG
(2-(7-phenylheptanoyl)oxazole-5-carbonitrile | CHEM...)
Show SMILES O=C(CCCCCCc1ccccc1)c1ncc(o1)C#N
Show InChI InChI=1S/C17H18N2O2/c18-12-15-13-19-17(21-15)16(20)11-7-2-1-4-8-14-9-5-3-6-10-14/h3,5-6,9-10,13H,1-2,4,7-8,11H2
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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))
BDBM50204512
PNG
(2-(7-phenylheptanoyl)oxazole-5-carbonitrile | CHEM...)
Show SMILES O=C(CCCCCCc1ccccc1)c1ncc(o1)C#N
Show InChI InChI=1S/C17H18N2O2/c18-12-15-13-19-17(21-15)16(20)11-7-2-1-4-8-14-9-5-3-6-10-14/h3,5-6,9-10,13H,1-2,4,7-8,11H2
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n/an/a 20n/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