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Compile Data Set for Download or QSAR

Found 14 hits Enz. Inhib. hit(s) with Target = 'Free fatty acid receptor 4'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Free fatty acid receptor 4


(Homo sapiens)
BDBM50543524
PNG
(CHEMBL4637969)
Show SMILES OC(=O)CCc1ccc(OCc2cccc(SCC3CC3)n2)c(Cl)c1
Show InChI InChI=1S/C19H20ClNO3S/c20-16-10-13(7-9-19(22)23)6-8-17(16)24-11-15-2-1-3-18(21-15)25-12-14-4-5-14/h1-3,6,8,10,14H,4-5,7,9,11-12H2,(H,22,23)
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PC sid
UniChem
PubMed
n/an/an/an/a 6n/an/an/an/a



Mizoram University

Curated by ChEMBL


Assay Description
Agonist activity at GPR120 (unknown origin)


Bioorg Med Chem 28: (2020)

More data for this
Ligand-Target Pair
Free fatty acid receptor 4


(Homo sapiens)
BDBM50543530
PNG
(CHEMBL4646784)
Show SMILES COc1ccc(F)c(c1)-c1ncc(COc2ccc(cc2)[C@@H](CC(O)=O)C2CC2)nc1OCCC(F)(F)F
Show InChI InChI=1S/C27H26F4N2O5/c1-36-20-8-9-23(28)22(12-20)25-26(37-11-10-27(29,30)31)33-18(14-32-25)15-38-19-6-4-17(5-7-19)21(13-24(34)35)16-2-3-16/h4-9,12,14,16,21H,2-3,10-11,13,15H2,1H3,(H,34,35)/t21-/m0/s1
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n/an/an/an/a 6n/an/an/an/a



Mizoram University

Curated by ChEMBL


Assay Description
Agonist activity at GPR120 (unknown origin)


Bioorg Med Chem 28: (2020)

More data for this
Ligand-Target Pair
Free fatty acid receptor 4


(Homo sapiens)
BDBM50543525
PNG
(CHEMBL4639009)
Show SMILES OC(=O)CCC1CCC2(C1)CCN(CC2)c1cc(OC2CCC2)ccc1Cl
Show InChI InChI=1S/C22H30ClNO3/c23-19-6-5-18(27-17-2-1-3-17)14-20(19)24-12-10-22(11-13-24)9-8-16(15-22)4-7-21(25)26/h5-6,14,16-17H,1-4,7-13,15H2,(H,25,26)
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n/an/an/an/a 45n/an/an/an/a



Mizoram University

Curated by ChEMBL


Assay Description
Agonist activity at GPR120 (unknown origin)


Bioorg Med Chem 28: (2020)

More data for this
Ligand-Target Pair
Free fatty acid receptor 4


(Homo sapiens)
BDBM382129
PNG
(4-(4-((4'-cyclopropyl-3,4,5,6-tetrahydro-[1,1'-bip...)
Show SMILES OC(=O)CCCc1ccc(OCC2=C(CCCC2)c2ccc(cc2)C2CC2)cc1
Show InChI InChI=1S/C26H30O3/c27-26(28)7-3-4-19-8-16-24(17-9-19)29-18-23-5-1-2-6-25(23)22-14-12-21(13-15-22)20-10-11-20/h8-9,12-17,20H,1-7,10-11,18H2,(H,27,28)
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n/an/an/an/a 50n/an/an/an/a



Mizoram University

Curated by ChEMBL


Assay Description
Agonist activity at GPR120 (unknown origin)


Bioorg Med Chem 28: (2020)

More data for this
Ligand-Target Pair
Free fatty acid receptor 4


(Homo sapiens)
BDBM50543526
PNG
(CHEMBL4646553)
Show SMILES OCCCc1cc(F)c(OCc2c(ccn2-c2ccc(Br)cc2)C(F)(F)F)c(F)c1
Show InChI InChI=1S/C21H17BrF5NO2/c22-14-3-5-15(6-4-14)28-8-7-16(21(25,26)27)19(28)12-30-20-17(23)10-13(2-1-9-29)11-18(20)24/h3-8,10-11,29H,1-2,9,12H2
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n/an/an/an/a 61n/an/an/an/a



Mizoram University

Curated by ChEMBL


Assay Description
Agonist activity at GPR120 (unknown origin)


Bioorg Med Chem 28: (2020)

More data for this
Ligand-Target Pair
Free fatty acid receptor 4


(Homo sapiens)
BDBM50543519
PNG
(CHEMBL4642324)
Show SMILES COc1cc(N2CCC(Oc3ccc(cc3)N3N=C([C@@H](C)C3CC(O)=O)C(F)(F)F)C(C)C2)c(Cl)cn1
Show InChI InChI=1S/C25H28ClF3N4O4/c1-14-13-32(20-10-22(36-3)30-12-18(20)26)9-8-21(14)37-17-6-4-16(5-7-17)33-19(11-23(34)35)15(2)24(31-33)25(27,28)29/h4-7,10,12,14-15,19,21H,8-9,11,13H2,1-3H3,(H,34,35)/t14?,15-,19?,21?/m0/s1
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n/an/an/an/a 71n/an/an/an/a



Mizoram University

Curated by ChEMBL


Assay Description
Modulation of GPR120 (unknown origin)


Bioorg Med Chem 28: (2020)

More data for this
Ligand-Target Pair
Free fatty acid receptor 4


(Homo sapiens)
BDBM50543528
PNG
(CHEMBL4638249)
Show SMILES CCc1cc2cc(cc(COc3ccc(CCC(O)=O)c(C)c3C)c2o1)C(F)(F)F
Show InChI InChI=1S/C23H23F3O4/c1-4-19-11-16-9-18(23(24,25)26)10-17(22(16)30-19)12-29-20-7-5-15(6-8-21(27)28)13(2)14(20)3/h5,7,9-11H,4,6,8,12H2,1-3H3,(H,27,28)
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n/an/an/an/a 110n/an/an/an/a



Mizoram University

Curated by ChEMBL


Assay Description
Agonist activity at GPR120 (unknown origin)


Bioorg Med Chem 28: (2020)

More data for this
Ligand-Target Pair
Free fatty acid receptor 4


(Homo sapiens)
BDBM50543527
PNG
(CHEMBL4647832)
Show SMILES CC(Cc1cc(F)c(OCc2c(nsc2C(F)(F)F)-c2ccc(C)cc2F)c(F)c1)C(O)=O
Show InChI InChI=1S/C22H17F6NO3S/c1-10-3-4-13(15(23)5-10)18-14(20(33-29-18)22(26,27)28)9-32-19-16(24)7-12(8-17(19)25)6-11(2)21(30)31/h3-5,7-8,11H,6,9H2,1-2H3,(H,30,31)
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n/an/an/an/a 179n/an/an/an/a



Mizoram University

Curated by ChEMBL


Assay Description
Agonist activity at GPR120 (unknown origin)


Bioorg Med Chem 28: (2020)

More data for this
Ligand-Target Pair
Free fatty acid receptor 4


(Homo sapiens)
BDBM50543523
PNG
(CHEMBL4642294)
Show SMILES OC(=O)[C@H]1C[C@@H]1CCC12CCC(CC1)(O2)c1cccc(Oc2ccccc2)c1
Show InChI InChI=1S/C24H26O4/c25-22(26)21-15-17(21)9-10-23-11-13-24(28-23,14-12-23)18-5-4-8-20(16-18)27-19-6-2-1-3-7-19/h1-8,16-17,21H,9-15H2,(H,25,26)/t17-,21-,23?,24?/m0/s1
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n/an/an/an/a 220n/an/an/an/a



Mizoram University

Curated by ChEMBL


Assay Description
Modulation of GPR120 (unknown origin)


Bioorg Med Chem 28: (2020)

More data for this
Ligand-Target Pair
Free fatty acid receptor 4


(Rattus norvegicus)
BDBM50232522
PNG
(CHEMBL4065397)
Show SMILES COc1ccc(cc1COc1ccc(CCC(O)=O)cc1C)C(F)(F)F
Show InChI InChI=1S/C19H19F3O4/c1-12-9-13(4-8-18(23)24)3-6-16(12)26-11-14-10-15(19(20,21)22)5-7-17(14)25-2/h3,5-7,9-10H,4,8,11H2,1-2H3,(H,23,24)
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n/an/an/an/a 230n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at rat FFA4 receptor


Bioorg Med Chem Lett 27: 1278-1283 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.034
BindingDB Entry DOI: 10.7270/Q2ZK5JWB
More data for this
Ligand-Target Pair
Free fatty acid receptor 4


(Homo sapiens)
BDBM50543529
PNG
(CHEMBL4641735)
Show SMILES OC(=O)CCC12CCC(CC1)(CC2)OCc1cc(F)cc(Oc2ccccc2)c1
Show InChI InChI=1S/C24H27FO4/c25-19-14-18(15-21(16-19)29-20-4-2-1-3-5-20)17-28-24-11-8-23(9-12-24,10-13-24)7-6-22(26)27/h1-5,14-16H,6-13,17H2,(H,26,27)
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n/an/an/an/a 270n/an/an/an/a



Mizoram University

Curated by ChEMBL


Assay Description
Agonist activity at GPR120 (unknown origin)


Bioorg Med Chem 28: (2020)

More data for this
Ligand-Target Pair
Free fatty acid receptor 4


(Rattus norvegicus)
BDBM50455227
PNG
(CHEMBL4208325)
Show SMILES OC(=O)CCc1cc(F)c(OCc2c(ccn2-c2ccc(Cl)cc2)C(F)(F)F)c(F)c1
Show InChI InChI=1S/C21H15ClF5NO3/c22-13-2-4-14(5-3-13)28-8-7-15(21(25,26)27)18(28)11-31-20-16(23)9-12(10-17(20)24)1-6-19(29)30/h2-5,7-10H,1,6,11H2,(H,29,30)
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n/an/an/an/a 713n/an/an/an/a



Janssen Research and Development LLC

Curated by ChEMBL


Assay Description
Agonist activity at recombinant rat GPR120 expressed in HEK293 cells


Bioorg Med Chem Lett 28: 841-846 (2018)


Article DOI: 10.1016/j.bmcl.2018.02.013
BindingDB Entry DOI: 10.7270/Q21Z471F
More data for this
Ligand-Target Pair
Free fatty acid receptor 4


(Rattus norvegicus)
BDBM50044849
PNG
(CHEMBL3311308)
Show SMILES COc1ccc(cc1)S(=O)(=O)Nc1c(C)cc(C)cc1C
Show InChI InChI=1S/C16H19NO3S/c1-11-9-12(2)16(13(3)10-11)17-21(18,19)15-7-5-14(20-4)6-8-15/h5-10,17H,1-4H3
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n/an/an/an/a 794n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at rat FFA4 receptor expressed in U2OS cells assessed as calcium mobilization after 24 hrs by FLIPR


Bioorg Med Chem Lett 24: 3100-3 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.012
BindingDB Entry DOI: 10.7270/Q2CC1292
More data for this
Ligand-Target Pair
Free fatty acid receptor 4


(Rattus norvegicus)
BDBM50044874
PNG
(CHEMBL3311302)
Show SMILES Cc1ccc(cc1)S(=O)(=O)NC1c2ccccc2Oc2ccccc12
Show InChI InChI=1S/C20H17NO3S/c1-14-10-12-15(13-11-14)25(22,23)21-20-16-6-2-4-8-18(16)24-19-9-5-3-7-17(19)20/h2-13,20-21H,1H3
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n/an/a 7.90n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of rat FFA4 receptor expressed in U2OS cells


Bioorg Med Chem Lett 24: 3100-3 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.012
BindingDB Entry DOI: 10.7270/Q2CC1292
More data for this
Ligand-Target Pair