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PubMed code 29615345

Compile data set for download or QSAR
Found 11 hits of Enzyme Inhibition Constant Data   
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 1


(Homo sapiens (Human))
BDBM50271615
PNG
(CHEMBL4130213)
Show SMILES FC(F)(F)c1ccc(cc1)C(OCCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccc1
Show InChI InChI=1S/C26H22F3NO4S/c27-26(28,29)20-10-8-19(9-11-20)23(18-4-2-1-3-5-18)34-15-14-33-21-12-6-17(7-13-21)16-22-24(31)30-25(32)35-22/h1-13,22-23H,14-16H2,(H,30,31,32)
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n/an/an/an/a 1.13E+4n/an/an/an/a



Suez Canal University

Curated by ChEMBL


Assay Description
Transactivation of recombinant human FFAR1 expressed in CHOK1 cells co-expressing Galpha15 assessed as increase in calcium flux measured after 20 sec...


Bioorg Med Chem Lett 28: 1595-1602 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.051
BindingDB Entry DOI: 10.7270/Q2N58PVR
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50271610
PNG
(CHEMBL418695)
Show SMILES O=C1NC(=O)C(Cc2ccc(OCCn3ccc4ccccc34)cc2)S1
Show InChI InChI=1S/C20H18N2O3S/c23-19-18(26-20(24)21-19)13-14-5-7-16(8-6-14)25-12-11-22-10-9-15-3-1-2-4-17(15)22/h1-10,18H,11-13H2,(H,21,23,24)
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n/an/an/an/a 3.94E+3n/an/an/an/a



Suez Canal University

Curated by ChEMBL


Assay Description
Transactivation of recombinant human N-terminal GAL4-DBD fused PPARgamma LBD expressed in reporter cells measured after 24 hrs by luciferase reporter...


Bioorg Med Chem Lett 28: 1595-1602 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.051
BindingDB Entry DOI: 10.7270/Q2N58PVR
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50271612
PNG
(CHEMBL4127761)
Show SMILES O=C1NC(=O)C(Cc2ccc(OCCn3cnc4ccccc34)cc2)S1
Show InChI InChI=1S/C19H17N3O3S/c23-18-17(26-19(24)21-18)11-13-5-7-14(8-6-13)25-10-9-22-12-20-15-3-1-2-4-16(15)22/h1-8,12,17H,9-11H2,(H,21,23,24)
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n/an/an/an/a 4.31E+3n/an/an/an/a



Suez Canal University

Curated by ChEMBL


Assay Description
Transactivation of recombinant human FFAR1 expressed in CHOK1 cells co-expressing Galpha15 assessed as increase in calcium flux measured after 20 sec...


Bioorg Med Chem Lett 28: 1595-1602 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.051
BindingDB Entry DOI: 10.7270/Q2N58PVR
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50271614
PNG
(CHEMBL4126802)
Show SMILES COc1ccc(cc1)C(OCCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccc1
Show InChI InChI=1S/C26H25NO5S/c1-30-21-13-9-20(10-14-21)24(19-5-3-2-4-6-19)32-16-15-31-22-11-7-18(8-12-22)17-23-25(28)27-26(29)33-23/h2-14,23-24H,15-17H2,1H3,(H,27,28,29)
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n/an/an/an/a 1.78E+4n/an/an/an/a



Suez Canal University

Curated by ChEMBL


Assay Description
Transactivation of recombinant human FFAR1 expressed in CHOK1 cells co-expressing Galpha15 assessed as increase in calcium flux measured after 20 sec...


Bioorg Med Chem Lett 28: 1595-1602 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.051
BindingDB Entry DOI: 10.7270/Q2N58PVR
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50271610
PNG
(CHEMBL418695)
Show SMILES O=C1NC(=O)C(Cc2ccc(OCCn3ccc4ccccc34)cc2)S1
Show InChI InChI=1S/C20H18N2O3S/c23-19-18(26-20(24)21-19)13-14-5-7-16(8-6-14)25-12-11-22-10-9-15-3-1-2-4-17(15)22/h1-10,18H,11-13H2,(H,21,23,24)
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n/an/an/an/a 2.19E+3n/an/an/an/a



Suez Canal University

Curated by ChEMBL


Assay Description
Transactivation of recombinant human FFAR1 expressed in CHOK1 cells co-expressing Galpha15 assessed as increase in calcium flux measured after 20 sec...


Bioorg Med Chem Lett 28: 1595-1602 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.051
BindingDB Entry DOI: 10.7270/Q2N58PVR
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50271613
PNG
(CHEMBL4127972)
Show SMILES O=C1NC(=O)C(Cc2ccc(OCCOC(c3ccccc3)c3ccccc3)cc2)S1
Show InChI InChI=1S/C25H23NO4S/c27-24-22(31-25(28)26-24)17-18-11-13-21(14-12-18)29-15-16-30-23(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-14,22-23H,15-17H2,(H,26,27,28)
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n/an/an/an/a 2.13E+4n/an/an/an/a



Suez Canal University

Curated by ChEMBL


Assay Description
Transactivation of recombinant human FFAR1 expressed in CHOK1 cells co-expressing Galpha15 assessed as increase in calcium flux measured after 20 sec...


Bioorg Med Chem Lett 28: 1595-1602 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.051
BindingDB Entry DOI: 10.7270/Q2N58PVR
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50271616
PNG
(CHEMBL4127920)
Show SMILES CCCCC\C=C\C\C=C\C\C=C\CCCCC(O)=O
Show InChI InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10,12-13H,2-5,8,11,14-17H2,1H3,(H,19,20)/b7-6+,10-9+,13-12+
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n/an/an/an/a 240n/an/an/an/a



Suez Canal University

Curated by ChEMBL


Assay Description
Transactivation of recombinant human FFAR1 expressed in CHOK1 cells co-expressing Galpha15 assessed as increase in calcium flux measured after 20 sec...


Bioorg Med Chem Lett 28: 1595-1602 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.051
BindingDB Entry DOI: 10.7270/Q2N58PVR
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50271611
PNG
(CHEMBL4125720)
Show SMILES Clc1ccc2ccn(CCOc3ccc(CC4SC(=O)NC4=O)cc3)c2c1
Show InChI InChI=1S/C20H17ClN2O3S/c21-15-4-3-14-7-8-23(17(14)12-15)9-10-26-16-5-1-13(2-6-16)11-18-19(24)22-20(25)27-18/h1-8,12,18H,9-11H2,(H,22,24,25)
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n/an/an/an/a 4.51E+3n/an/an/an/a



Suez Canal University

Curated by ChEMBL


Assay Description
Transactivation of recombinant human N-terminal GAL4-DBD fused PPARgamma LBD expressed in reporter cells measured after 24 hrs by luciferase reporter...


Bioorg Med Chem Lett 28: 1595-1602 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.051
BindingDB Entry DOI: 10.7270/Q2N58PVR
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50271611
PNG
(CHEMBL4125720)
Show SMILES Clc1ccc2ccn(CCOc3ccc(CC4SC(=O)NC4=O)cc3)c2c1
Show InChI InChI=1S/C20H17ClN2O3S/c21-15-4-3-14-7-8-23(17(14)12-15)9-10-26-16-5-1-13(2-6-16)11-18-19(24)22-20(25)27-18/h1-8,12,18H,9-11H2,(H,22,24,25)
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n/an/an/an/a 5.06E+3n/an/an/an/a



Suez Canal University

Curated by ChEMBL


Assay Description
Transactivation of recombinant human FFAR1 expressed in CHOK1 cells co-expressing Galpha15 assessed as increase in calcium flux measured after 20 sec...


Bioorg Med Chem Lett 28: 1595-1602 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.051
BindingDB Entry DOI: 10.7270/Q2N58PVR
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50030474
PNG
(Avandamet | Avandaryl | Avandia | BRL-49653 | CHEB...)
Show SMILES CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1
Show InChI InChI=1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,15H,10-12H2,1H3,(H,20,22,23)
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n/an/an/an/a 240n/an/an/an/a



Suez Canal University

Curated by ChEMBL


Assay Description
Transactivation of recombinant human N-terminal GAL4-DBD fused PPARgamma LBD expressed in reporter cells measured after 24 hrs by luciferase reporter...


Bioorg Med Chem Lett 28: 1595-1602 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.051
BindingDB Entry DOI: 10.7270/Q2N58PVR
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50271612
PNG
(CHEMBL4127761)
Show SMILES O=C1NC(=O)C(Cc2ccc(OCCn3cnc4ccccc34)cc2)S1
Show InChI InChI=1S/C19H17N3O3S/c23-18-17(26-19(24)21-18)11-13-5-7-14(8-6-13)25-10-9-22-12-20-15-3-1-2-4-16(15)22/h1-8,12,17H,9-11H2,(H,21,23,24)
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n/an/an/an/a 2.32E+3n/an/an/an/a



Suez Canal University

Curated by ChEMBL


Assay Description
Transactivation of recombinant human N-terminal GAL4-DBD fused PPARgamma LBD expressed in reporter cells measured after 24 hrs by luciferase reporter...


Bioorg Med Chem Lett 28: 1595-1602 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.051
BindingDB Entry DOI: 10.7270/Q2N58PVR
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%