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BDBM23049 7-[3-(methylsulfanyl)phenyl]-1-[5-(pyridin-2-yl)-1,3-oxazol-2-yl]heptan-1-one::alpha-ketooxazole, 5u

SMILES: CSc1cccc(CCCCCCC(=O)c2ncc(o2)-c2ccccn2)c1

InChI Key: InChIKey=ODQCXALXZCGYKU-UHFFFAOYSA-N

Data: 1 KI  2 IC50

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

Found 2 hits for monomerid = 23049   
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))
BDBM23049
PNG
(7-[3-(methylsulfanyl)phenyl]-1-[5-(pyridin-2-yl)-1...)
Show SMILES CSc1cccc(CCCCCCC(=O)c2ncc(o2)-c2ccccn2)c1
Show InChI InChI=1S/C22H24N2O2S/c1-27-18-11-8-10-17(15-18)9-4-2-3-5-13-20(25)22-24-16-21(26-22)19-12-6-7-14-23-19/h6-8,10-12,14-16H,2-5,9,13H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
4.20 -11.3 10n/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))
BDBM23049
PNG
(7-[3-(methylsulfanyl)phenyl]-1-[5-(pyridin-2-yl)-1...)
Show SMILES CSc1cccc(CCCCCCC(=O)c2ncc(o2)-c2ccccn2)c1
Show InChI InChI=1S/C22H24N2O2S/c1-27-18-11-8-10-17(15-18)9-4-2-3-5-13-20(25)22-24-16-21(26-22)19-12-6-7-14-23-19/h6-8,10-12,14-16H,2-5,9,13H2,1H3
KEGG

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 300n/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