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BDBM50247137 7-phenyl-1-(4-(trifluoromethyl)oxazol-2-yl)heptan-1-one::CHEMBL461544

SMILES: FC(F)(F)c1coc(n1)C(=O)CCCCCCc1ccccc1

InChI Key: InChIKey=NLMTVNHTMJTYAC-UHFFFAOYSA-N

Data: 1 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 5 hits for monomerid = 50247137   
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))
BDBM50247137
PNG
(7-phenyl-1-(4-(trifluoromethyl)oxazol-2-yl)heptan-...)
Show SMILES FC(F)(F)c1coc(n1)C(=O)CCCCCCc1ccccc1
Show InChI InChI=1S/C17H18F3NO2/c18-17(19,20)15-12-23-16(21-15)14(22)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
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.70n/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))
BDBM50247137
PNG
(7-phenyl-1-(4-(trifluoromethyl)oxazol-2-yl)heptan-...)
Show SMILES FC(F)(F)c1coc(n1)C(=O)CCCCCCc1ccccc1
Show InChI InChI=1S/C17H18F3NO2/c18-17(19,20)15-12-23-16(21-15)14(22)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
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 214n/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))
BDBM50247137
PNG
(7-phenyl-1-(4-(trifluoromethyl)oxazol-2-yl)heptan-...)
Show SMILES FC(F)(F)c1coc(n1)C(=O)CCCCCCc1ccccc1
Show InChI InChI=1S/C17H18F3NO2/c18-17(19,20)15-12-23-16(21-15)14(22)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
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 400n/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))
BDBM50247137
PNG
(7-phenyl-1-(4-(trifluoromethyl)oxazol-2-yl)heptan-...)
Show SMILES FC(F)(F)c1coc(n1)C(=O)CCCCCCc1ccccc1
Show InChI InChI=1S/C17H18F3NO2/c18-17(19,20)15-12-23-16(21-15)14(22)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
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
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))
BDBM50247137
PNG
(7-phenyl-1-(4-(trifluoromethyl)oxazol-2-yl)heptan-...)
Show SMILES FC(F)(F)c1coc(n1)C(=O)CCCCCCc1ccccc1
Show InChI InChI=1S/C17H18F3NO2/c18-17(19,20)15-12-23-16(21-15)14(22)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
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 60n/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