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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Fatty acid synthase' and Ligand = 'BDBM50318454'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Fatty acid synthase


(Gallus gallus (Chicken))
BDBM50318454
PNG
(CHEMBL123040 | Diallyl trisulfide | diallyltrisulf...)
Show SMILES C=CCSSSCC=C
Show InChI InChI=1S/C6H10S3/c1-3-5-7-9-8-6-4-2/h3-4H,1-2,5-6H2
UniProtKB/SwissProt

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CHEMBL
MCE
KEGG
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 8.37E+3n/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of chicken liver FASN


J Med Chem 54: 5615-38 (2011)


Article DOI: 10.1021/jm2005805
BindingDB Entry DOI: 10.7270/Q21N8261
More data for this
Ligand-Target Pair
Fatty acid synthase


(Gallus gallus (Chicken))
BDBM50318454
PNG
(CHEMBL123040 | Diallyl trisulfide | diallyltrisulf...)
Show SMILES C=CCSSSCC=C
Show InChI InChI=1S/C6H10S3/c1-3-5-7-9-8-6-4-2/h3-4H,1-2,5-6H2
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
KEGG
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 8.37E+3n/an/an/an/a7.037



Graduate University of Chinese Academy of Sciences



Assay Description
FAS activity was determined by monitoring the decrease in absorbence at 340 nm resulting from the oxidation of NADPH using an Amersham Pharmacia Ultr...


J Enzyme Inhib Med Chem 25: 290-5 (2010)


Article DOI: 10.3109/14756360903179377
BindingDB Entry DOI: 10.7270/Q2KS6QFM
More data for this
Ligand-Target Pair