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BDBM23117 6-(phenylsulfanyl)-1-[5-(pyridin-2-yl)-1,3-oxazol-2-yl]hexan-1-one::alpha-ketooxazole, 12p

SMILES: O=C(CCCCCSc1ccccc1)c1ncc(o1)-c1ccccn1

InChI Key: InChIKey=QWKHLSRRDRKRHH-UHFFFAOYSA-N

Data: 1 KI

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 23117   
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))
BDBM23117
PNG
(6-(phenylsulfanyl)-1-[5-(pyridin-2-yl)-1,3-oxazol-...)
Show SMILES O=C(CCCCCSc1ccccc1)c1ncc(o1)-c1ccccn1
Show InChI InChI=1S/C20H20N2O2S/c23-18(12-5-2-8-14-25-16-9-3-1-4-10-16)20-22-15-19(24-20)17-11-6-7-13-21-17/h1,3-4,6-7,9-11,13,15H,2,5,8,12,14H2
PDB
MMDB

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Similars

Article
PubMed
3 -11.6n/an/an/an/an/an/a25



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