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BDBM23048 7-[2-(methylsulfanyl)phenyl]-1-[5-(pyridin-2-yl)-1,3-oxazol-2-yl]heptan-1-one::alpha-ketooxazole, 5t

SMILES: CSc1ccccc1CCCCCCC(=O)c1ncc(o1)-c1ccccn1

InChI Key: InChIKey=VFFCAWRKSCCZHW-UHFFFAOYSA-N

Data: 1 KI  2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 23048   
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


(Homo sapiens (Human))
BDBM23048
PNG
(7-[2-(methylsulfanyl)phenyl]-1-[5-(pyridin-2-yl)-1...)
Show SMILES CSc1ccccc1CCCCCCC(=O)c1ncc(o1)-c1ccccn1
Show InChI InChI=1S/C22H24N2O2S/c1-27-21-14-7-6-11-17(21)10-4-2-3-5-13-19(25)22-24-16-20(26-22)18-12-8-9-15-23-18/h6-9,11-12,14-16H,2-5,10,13H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
3.30 -11.4 30n/an/an/an/a9.022



The Scripps Research Institute



Assay Description
The inhibition assays were performed by incubating enzyme, 14C-labeled oleamide in reaction buffer at room temperature in the presence of three diffe...


J Med Chem 50: 3359-68 (2007)


Article DOI: 10.1021/jm061414r
BindingDB Entry DOI: 10.7270/Q2DR2SSH
More data for this
Ligand-Target Pair
Triacylglycerol Hydrolase


(Homo sapiens (Human))
BDBM23048
PNG
(7-[2-(methylsulfanyl)phenyl]-1-[5-(pyridin-2-yl)-1...)
Show SMILES CSc1ccccc1CCCCCCC(=O)c1ncc(o1)-c1ccccn1
Show InChI InChI=1S/C22H24N2O2S/c1-27-21-14-7-6-11-17(21)10-4-2-3-5-13-19(25)22-24-16-20(26-22)18-12-8-9-15-23-18/h6-9,11-12,14-16H,2-5,10,13H2,1H3
KEGG

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 1.00E+4n/an/an/an/an/a25



The Scripps Research Institute



Assay Description
Inhibition of TGH activity was assayed using COS-7 expressed TGH and the chromogenic substrate. IC50 values were determined from the inhibition obser...


J Med Chem 50: 3359-68 (2007)


Article DOI: 10.1021/jm061414r
BindingDB Entry DOI: 10.7270/Q2DR2SSH
More data for this
Ligand-Target Pair