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BDBM50204504 6-(2-(7-phenylheptanoyl)oxazol-5-yl)nicotinic acid::CHEMBL219953

SMILES: OC(=O)c1ccc(nc1)-c1cnc(o1)C(=O)CCCCCCc1ccccc1

InChI Key: InChIKey=SHWZOKMNLUJQPA-UHFFFAOYSA-N

Data: 3 KI  3 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 6 hits for monomerid = 50204504   
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))
BDBM50204504
PNG
(6-(2-(7-phenylheptanoyl)oxazol-5-yl)nicotinic acid...)
Show SMILES OC(=O)c1ccc(nc1)-c1cnc(o1)C(=O)CCCCCCc1ccccc1
Show InChI InChI=1S/C22H22N2O4/c25-19(11-7-2-1-4-8-16-9-5-3-6-10-16)21-24-15-20(28-21)18-13-12-17(14-23-18)22(26)27/h3,5-6,9-10,12-15H,1-2,4,7-8,11H2,(H,26,27)
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Article
PubMed
7n/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
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50204504
PNG
(6-(2-(7-phenylheptanoyl)oxazol-5-yl)nicotinic acid...)
Show SMILES OC(=O)c1ccc(nc1)-c1cnc(o1)C(=O)CCCCCCc1ccccc1
Show InChI InChI=1S/C22H22N2O4/c25-19(11-7-2-1-4-8-16-9-5-3-6-10-16)21-24-15-20(28-21)18-13-12-17(14-23-18)22(26)27/h3,5-6,9-10,12-15H,1-2,4,7-8,11H2,(H,26,27)
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Article
PubMed
8n/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
Fatty-acid amide hydrolase 1 (aa 30-579)


(Rattus norvegicus (rat))
BDBM50204504
PNG
(6-(2-(7-phenylheptanoyl)oxazol-5-yl)nicotinic acid...)
Show SMILES OC(=O)c1ccc(nc1)-c1cnc(o1)C(=O)CCCCCCc1ccccc1
Show InChI InChI=1S/C22H22N2O4/c25-19(11-7-2-1-4-8-16-9-5-3-6-10-16)21-24-15-20(28-21)18-13-12-17(14-23-18)22(26)27/h3,5-6,9-10,12-15H,1-2,4,7-8,11H2,(H,26,27)
PDB
MMDB

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Article
PubMed
8.10n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant rat FAAH expressed in Escherichia coli assessed as breakdown of [14C]-oleamide by Dixon plot analysis


J Med Chem 57: 1079-89 (2014)


Article DOI: 10.1021/jm401820q
BindingDB Entry DOI: 10.7270/Q2HX1F5K
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50204504
PNG
(6-(2-(7-phenylheptanoyl)oxazol-5-yl)nicotinic acid...)
Show SMILES OC(=O)c1ccc(nc1)-c1cnc(o1)C(=O)CCCCCCc1ccccc1
Show InChI InChI=1S/C22H22N2O4/c25-19(11-7-2-1-4-8-16-9-5-3-6-10-16)21-24-15-20(28-21)18-13-12-17(14-23-18)22(26)27/h3,5-6,9-10,12-15H,1-2,4,7-8,11H2,(H,26,27)
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PubMed
n/an/a 50n/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
Acyl-CoA: cholesterol acyltransferase (ACAT)


(Homo sapiens (Human))
BDBM50204504
PNG
(6-(2-(7-phenylheptanoyl)oxazol-5-yl)nicotinic acid...)
Show SMILES OC(=O)c1ccc(nc1)-c1cnc(o1)C(=O)CCCCCCc1ccccc1
Show InChI InChI=1S/C22H22N2O4/c25-19(11-7-2-1-4-8-16-9-5-3-6-10-16)21-24-15-20(28-21)18-13-12-17(14-23-18)22(26)27/h3,5-6,9-10,12-15H,1-2,4,7-8,11H2,(H,26,27)
PDB

KEGG

UniProtKB/SwissProt

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Article
PubMed
n/an/a 3.00E+3n/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))
BDBM50204504
PNG
(6-(2-(7-phenylheptanoyl)oxazol-5-yl)nicotinic acid...)
Show SMILES OC(=O)c1ccc(nc1)-c1cnc(o1)C(=O)CCCCCCc1ccccc1
Show InChI InChI=1S/C22H22N2O4/c25-19(11-7-2-1-4-8-16-9-5-3-6-10-16)21-24-15-20(28-21)18-13-12-17(14-23-18)22(26)27/h3,5-6,9-10,12-15H,1-2,4,7-8,11H2,(H,26,27)
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


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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


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