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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Free fatty acid receptor 4' and Ligand = 'BDBM384320'   
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
Free fatty acid receptor 4


(Homo sapiens (Human))
BDBM384320
PNG
(Trans-2-(((3′-chloro-3-fluoro-5′-isopr...)
Show SMILES CC(C)Oc1cc(Cl)cc(c1)-c1ccc(OC[C@H]2C[C@@H]2C(O)=O)c(F)c1 |r|
Show InChI InChI=1S/C20H20ClFO4/c1-11(2)26-16-6-13(5-15(21)9-16)12-3-4-19(18(22)8-12)25-10-14-7-17(14)20(23)24/h3-6,8-9,11,14,17H,7,10H2,1-2H3,(H,23,24)/t14-,17+/m1/s1
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PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 830n/an/an/an/a



Sunesis Pharmaceuticals



Assay Description
For the pERK assay, 3×106 cells/mL cryopreserved human and mouse cells were thawed rapidly in a 37° C. water bath and added to a T-225 flask containi...


Bioorg Med Chem Lett 18: 4880-4 (2008)


BindingDB Entry DOI: 10.7270/Q2TB1969
More data for this
Ligand-Target Pair
Free fatty acid receptor 4


(Homo sapiens (Human))
BDBM384320
PNG
(Trans-2-(((3′-chloro-3-fluoro-5′-isopr...)
Show SMILES CC(C)Oc1cc(Cl)cc(c1)-c1ccc(OC[C@H]2C[C@@H]2C(O)=O)c(F)c1 |r|
Show InChI InChI=1S/C20H20ClFO4/c1-11(2)26-16-6-13(5-15(21)9-16)12-3-4-19(18(22)8-12)25-10-14-7-17(14)20(23)24/h3-6,8-9,11,14,17H,7,10H2,1-2H3,(H,23,24)/t14-,17+/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 310n/an/an/an/a



Sunesis Pharmaceuticals



Assay Description
For the pERK assay, 3×106 cells/mL cryopreserved human and mouse cells were thawed rapidly in a 37° C. water bath and added to a T-225 flask containi...


Bioorg Med Chem Lett 18: 4880-4 (2008)


BindingDB Entry DOI: 10.7270/Q2TB1969
More data for this
Ligand-Target Pair