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BDBM50204509 1-(5-(2,6-dimethoxypyrimidin-4-yl)oxazol-2-yl)-7-phenylheptan-1-one::CHEMBL220449

SMILES: COc1cc(nc(OC)n1)-c1cnc(o1)C(=O)CCCCCCc1ccccc1

InChI Key: InChIKey=GZXPZNRGZSEVND-UHFFFAOYSA-N

Data: 1 KI  3 IC50

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

Found 4 hits for monomerid = 50204509   
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))
BDBM50204509
PNG
(1-(5-(2,6-dimethoxypyrimidin-4-yl)oxazol-2-yl)-7-p...)
Show SMILES COc1cc(nc(OC)n1)-c1cnc(o1)C(=O)CCCCCCc1ccccc1
Show InChI InChI=1S/C22H25N3O4/c1-27-20-14-17(24-22(25-20)28-2)19-15-23-21(29-19)18(26)13-9-4-3-6-10-16-11-7-5-8-12-16/h5,7-8,11-12,14-15H,3-4,6,9-10,13H2,1-2H3
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
5n/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))
BDBM50204509
PNG
(1-(5-(2,6-dimethoxypyrimidin-4-yl)oxazol-2-yl)-7-p...)
Show SMILES COc1cc(nc(OC)n1)-c1cnc(o1)C(=O)CCCCCCc1ccccc1
Show InChI InChI=1S/C22H25N3O4/c1-27-20-14-17(24-22(25-20)28-2)19-15-23-21(29-19)18(26)13-9-4-3-6-10-16-11-7-5-8-12-16/h5,7-8,11-12,14-15H,3-4,6,9-10,13H2,1-2H3
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 400n/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))
BDBM50204509
PNG
(1-(5-(2,6-dimethoxypyrimidin-4-yl)oxazol-2-yl)-7-p...)
Show SMILES COc1cc(nc(OC)n1)-c1cnc(o1)C(=O)CCCCCCc1ccccc1
Show InChI InChI=1S/C22H25N3O4/c1-27-20-14-17(24-22(25-20)28-2)19-15-23-21(29-19)18(26)13-9-4-3-6-10-16-11-7-5-8-12-16/h5,7-8,11-12,14-15H,3-4,6,9-10,13H2,1-2H3
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents

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
Acyl-CoA: cholesterol acyltransferase (ACAT)


(Homo sapiens (Human))
BDBM50204509
PNG
(1-(5-(2,6-dimethoxypyrimidin-4-yl)oxazol-2-yl)-7-p...)
Show SMILES COc1cc(nc(OC)n1)-c1cnc(o1)C(=O)CCCCCCc1ccccc1
Show InChI InChI=1S/C22H25N3O4/c1-27-20-14-17(24-22(25-20)28-2)19-15-23-21(29-19)18(26)13-9-4-3-6-10-16-11-7-5-8-12-16/h5,7-8,11-12,14-15H,3-4,6,9-10,13H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 70n/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