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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with all data for assayid = 6 entry = 50048169   
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


(Mus musculus)
BDBM50207061
PNG
(CHEMBL3980898)
Show SMILES CO[C@H]1C[C@@H](C1)Oc1cc(F)c(F)c(n1)-c1ccc2O[C@@H](CCC(O)=O)CCc2c1 |r,wU:4.6,wD:20.22,2.1,(19.4,-3.02,;19.4,-4.56,;20.74,-5.33,;21.14,-6.82,;22.62,-6.41,;22.23,-4.93,;23.96,-7.18,;25.29,-6.4,;25.28,-4.85,;26.62,-4.08,;26.62,-2.54,;27.95,-4.85,;29.29,-4.08,;27.95,-6.39,;26.62,-7.16,;29.28,-7.16,;29.28,-8.71,;30.61,-9.48,;31.94,-8.71,;33.28,-9.49,;34.63,-8.72,;35.96,-9.49,;37.3,-8.72,;38.63,-9.5,;38.63,-11.04,;39.97,-8.73,;34.63,-7.16,;33.28,-6.38,;31.94,-7.16,;30.61,-6.39,)|
Show InChI InChI=1S/C22H23F2NO5/c1-28-15-9-16(10-15)30-19-11-17(23)21(24)22(25-19)13-3-6-18-12(8-13)2-4-14(29-18)5-7-20(26)27/h3,6,8,11,14-16H,2,4-5,7,9-10H2,1H3,(H,26,27)/t14-,15-,16-/m1/s1
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 6.40n/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Agonist activity at mouse GPR120 expressed in CHOK1 cells assessed as increase in IP1 accumulation after 60 mins by HTRF assay


ACS Med Chem Lett 8: 96-101 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00394
BindingDB Entry DOI: 10.7270/Q2R213CP
More data for this
Ligand-Target Pair
Free fatty acid receptor 4


(Mus musculus)
BDBM50207060
PNG
(CHEMBL3952043)
Show SMILES CO[C@H]1C[C@@H](C1)Oc1cc(OC)c(F)c(n1)-c1ccc2O[C@@H](CCC(O)=O)CCc2c1 |r,wU:4.6,wD:21.23,2.1,(37.05,-1.75,;37.06,-3.29,;38.39,-4.05,;38.8,-5.54,;40.28,-5.13,;39.88,-3.65,;41.61,-5.9,;42.94,-5.12,;42.94,-3.58,;44.27,-2.81,;44.28,-1.27,;42.95,-.5,;45.61,-3.58,;46.94,-2.81,;45.6,-5.12,;44.28,-5.89,;46.93,-5.89,;46.93,-7.43,;48.27,-8.2,;49.6,-7.44,;50.93,-8.21,;52.28,-7.44,;53.61,-8.21,;54.95,-7.45,;56.28,-8.22,;56.28,-9.76,;57.62,-7.45,;52.29,-5.88,;50.94,-5.1,;49.6,-5.88,;48.26,-5.12,)|
Show InChI InChI=1S/C23H26FNO6/c1-28-16-10-17(11-16)31-20-12-19(29-2)22(24)23(25-20)14-4-7-18-13(9-14)3-5-15(30-18)6-8-21(26)27/h4,7,9,12,15-17H,3,5-6,8,10-11H2,1-2H3,(H,26,27)/t15-,16-,17-/m1/s1
PDB

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 5.60n/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Agonist activity at mouse GPR120 expressed in CHOK1 cells assessed as increase in IP1 accumulation after 60 mins by HTRF assay


ACS Med Chem Lett 8: 96-101 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00394
BindingDB Entry DOI: 10.7270/Q2R213CP
More data for this
Ligand-Target Pair