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SMILES: Brc1cnc(o1)C(=O)CCCCCCc1ccccc1

InChI Key: InChIKey=DMKFBAZOWIRQSU-UHFFFAOYSA-N

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 6 hits for monomerid = 50204475   
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))
BDBM50204475
PNG
(1-(5-bromooxazol-2-yl)-7-phenylheptan-1-one | CHEM...)
Show SMILES Brc1cnc(o1)C(=O)CCCCCCc1ccccc1
Show InChI InChI=1S/C16H18BrNO2/c17-15-12-18-16(20-15)14(19)11-7-2-1-4-8-13-9-5-3-6-10-13/h3,5-6,9-10,12H,1-2,4,7-8,11H2
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3n/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
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50204475
PNG
(1-(5-bromooxazol-2-yl)-7-phenylheptan-1-one | CHEM...)
Show SMILES Brc1cnc(o1)C(=O)CCCCCCc1ccccc1
Show InChI InChI=1S/C16H18BrNO2/c17-15-12-18-16(20-15)14(19)11-7-2-1-4-8-13-9-5-3-6-10-13/h3,5-6,9-10,12H,1-2,4,7-8,11H2
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3n/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
Diacylglycerol lipase-alpha


(Homo sapiens (Human))
BDBM50204475
PNG
(1-(5-bromooxazol-2-yl)-7-phenylheptan-1-one | CHEM...)
Show SMILES Brc1cnc(o1)C(=O)CCCCCCc1ccccc1
Show InChI InChI=1S/C16H18BrNO2/c17-15-12-18-16(20-15)14(19)11-7-2-1-4-8-13-9-5-3-6-10-13/h3,5-6,9-10,12H,1-2,4,7-8,11H2
NCI pathway
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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


(Homo sapiens (Human))
BDBM50204475
PNG
(1-(5-bromooxazol-2-yl)-7-phenylheptan-1-one | CHEM...)
Show SMILES Brc1cnc(o1)C(=O)CCCCCCc1ccccc1
Show InChI InChI=1S/C16H18BrNO2/c17-15-12-18-16(20-15)14(19)11-7-2-1-4-8-13-9-5-3-6-10-13/h3,5-6,9-10,12H,1-2,4,7-8,11H2
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n/an/a 190n/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
Liver carboxylesterase 1


(Homo sapiens (Human))
BDBM50204475
PNG
(1-(5-bromooxazol-2-yl)-7-phenylheptan-1-one | CHEM...)
Show SMILES Brc1cnc(o1)C(=O)CCCCCCc1ccccc1
Show InChI InChI=1S/C16H18BrNO2/c17-15-12-18-16(20-15)14(19)11-7-2-1-4-8-13-9-5-3-6-10-13/h3,5-6,9-10,12H,1-2,4,7-8,11H2
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PubMed
n/an/a 100n/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
Neutral cholesterol ester hydrolase 1


(Homo sapiens (Human))
BDBM50204475
PNG
(1-(5-bromooxazol-2-yl)-7-phenylheptan-1-one | CHEM...)
Show SMILES Brc1cnc(o1)C(=O)CCCCCCc1ccccc1
Show InChI InChI=1S/C16H18BrNO2/c17-15-12-18-16(20-15)14(19)11-7-2-1-4-8-13-9-5-3-6-10-13/h3,5-6,9-10,12H,1-2,4,7-8,11H2
KEGG

UniProtKB/SwissProt

antibodypedia
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UniChem

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Article
PubMed
n/an/a 1.30E+4n/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