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PubMed code 24745969

Compile data set for download or QSAR
Found 36 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
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50013729
PNG
(CHEMBL3264919)
Show SMILES CCn1c(CCCc2ccc(OC(C)(C)C(=O)NS(=O)(=O)c3ccccc3)cc2)nn(Cc2ccc(cc2)C(C)(C)C)c1=O
Show InChI InChI=1S/C34H42N4O5S/c1-7-37-30(35-38(32(37)40)24-26-16-20-27(21-17-26)33(2,3)4)15-11-12-25-18-22-28(23-19-25)43-34(5,6)31(39)36-44(41,42)29-13-9-8-10-14-29/h8-10,13-14,16-23H,7,11-12,15,24H2,1-6H3,(H,36,39)
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n/an/a 2.70n/an/an/an/an/an/a



Inception Sciences

Curated by ChEMBL


Assay Description
Antagonist activity at human PPAR-alpha assessed as inhibition of GW7647-induced effect after overnight incubation by cell-based luciferase reporter ...


Bioorg Med Chem Lett 24: 2267-72 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.090
BindingDB Entry DOI: 10.7270/Q2GX4D33
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50013730
PNG
(CHEMBL3264920)
Show SMILES CCn1c(CCCc2ccc(OC(C)(C)C(=O)NS(=O)(=O)c3ccc(C)cc3)cc2)nn(Cc2ccc(cc2)C(C)(C)C)c1=O
Show InChI InChI=1S/C35H44N4O5S/c1-8-38-31(36-39(33(38)41)24-27-14-18-28(19-15-27)34(3,4)5)11-9-10-26-16-20-29(21-17-26)44-35(6,7)32(40)37-45(42,43)30-22-12-25(2)13-23-30/h12-23H,8-11,24H2,1-7H3,(H,37,40)
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n/an/a 2.80n/an/an/an/an/an/a



Inception Sciences

Curated by ChEMBL


Assay Description
Antagonist activity at human PPAR-alpha assessed as inhibition of GW7647-induced effect after overnight incubation by cell-based luciferase reporter ...


Bioorg Med Chem Lett 24: 2267-72 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.090
BindingDB Entry DOI: 10.7270/Q2GX4D33
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50013734
PNG
(CHEMBL3264924)
Show SMILES CCn1c(CCCc2ccc(OC(C)(C)C(=O)NS(=O)(=O)C3CCCCC3)cc2)nn(Cc2ccc(cc2)C(C)(C)C)c1=O
Show InChI InChI=1S/C34H48N4O5S/c1-7-37-30(35-38(32(37)40)24-26-16-20-27(21-17-26)33(2,3)4)15-11-12-25-18-22-28(23-19-25)43-34(5,6)31(39)36-44(41,42)29-13-9-8-10-14-29/h16-23,29H,7-15,24H2,1-6H3,(H,36,39)
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n/an/a 3n/an/an/an/an/an/a



Inception Sciences

Curated by ChEMBL


Assay Description
Antagonist activity at human PPAR-alpha assessed as inhibition of GW7647-induced effect after overnight incubation by cell-based luciferase reporter ...


Bioorg Med Chem Lett 24: 2267-72 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.090
BindingDB Entry DOI: 10.7270/Q2GX4D33
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50013735
PNG
(CHEMBL3264925)
Show SMILES CCn1c(CCCc2ccc(OC(C)(C)C(=O)NS(=O)(=O)C3CCCC3)cc2)nn(Cc2ccc(cc2)C(C)(C)C)c1=O
Show InChI InChI=1S/C33H46N4O5S/c1-7-36-29(34-37(31(36)39)23-25-15-19-26(20-16-25)32(2,3)4)14-10-11-24-17-21-27(22-18-24)42-33(5,6)30(38)35-43(40,41)28-12-8-9-13-28/h15-22,28H,7-14,23H2,1-6H3,(H,35,38)
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n/an/a 4.60n/an/an/an/an/an/a



Inception Sciences

Curated by ChEMBL


Assay Description
Antagonist activity at human PPAR-alpha assessed as inhibition of GW7647-induced effect after overnight incubation by cell-based luciferase reporter ...


Bioorg Med Chem Lett 24: 2267-72 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.090
BindingDB Entry DOI: 10.7270/Q2GX4D33
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50013736
PNG
(CHEMBL3264926)
Show SMILES CCn1c(CCCc2ccc(OC(C)(C)C(=O)NS(=O)(=O)C3CC3)cc2)nn(Cc2ccc(cc2)C(C)(C)C)c1=O
Show InChI InChI=1S/C31H42N4O5S/c1-7-34-27(32-35(29(34)37)21-23-11-15-24(16-12-23)30(2,3)4)10-8-9-22-13-17-25(18-14-22)40-31(5,6)28(36)33-41(38,39)26-19-20-26/h11-18,26H,7-10,19-21H2,1-6H3,(H,33,36)
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n/an/a 6.60n/an/an/an/an/an/a



Inception Sciences

Curated by ChEMBL


Assay Description
Antagonist activity at human PPAR-alpha assessed as inhibition of GW7647-induced effect after overnight incubation by cell-based luciferase reporter ...


Bioorg Med Chem Lett 24: 2267-72 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.090
BindingDB Entry DOI: 10.7270/Q2GX4D33
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50013731
PNG
(CHEMBL3264921)
Show SMILES CCn1c(CCCc2ccc(OC(C)(C)C(=O)NS(=O)(=O)c3ccc(cc3)C(C)C)cc2)nn(Cc2ccc(cc2)C(C)(C)C)c1=O
Show InChI InChI=1S/C37H48N4O5S/c1-9-40-33(38-41(35(40)43)25-28-13-19-30(20-14-28)36(4,5)6)12-10-11-27-15-21-31(22-16-27)46-37(7,8)34(42)39-47(44,45)32-23-17-29(18-24-32)26(2)3/h13-24,26H,9-12,25H2,1-8H3,(H,39,42)
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n/an/a 13n/an/an/an/an/an/a



Inception Sciences

Curated by ChEMBL


Assay Description
Antagonist activity at human PPAR-alpha assessed as inhibition of GW7647-induced effect after overnight incubation by cell-based luciferase reporter ...


Bioorg Med Chem Lett 24: 2267-72 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.090
BindingDB Entry DOI: 10.7270/Q2GX4D33
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50013741
PNG
(CHEMBL3264931)
Show SMILES CCn1c(CCCc2ccc(cc2)-c2ccc(NS(=O)(=O)c3ccccc3)cc2)nn(Cc2ccc(cc2)C(C)(C)C)c1=O
Show InChI InChI=1S/C36H40N4O3S/c1-5-39-34(37-40(35(39)41)26-28-16-22-31(23-17-28)36(2,3)4)13-9-10-27-14-18-29(19-15-27)30-20-24-32(25-21-30)38-44(42,43)33-11-7-6-8-12-33/h6-8,11-12,14-25,38H,5,9-10,13,26H2,1-4H3
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n/an/a 21n/an/an/an/an/an/a



Inception Sciences

Curated by ChEMBL


Assay Description
Antagonist activity at human PPAR-alpha assessed as inhibition of GW7647-induced effect after overnight incubation by cell-based luciferase reporter ...


Bioorg Med Chem Lett 24: 2267-72 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.090
BindingDB Entry DOI: 10.7270/Q2GX4D33
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50013732
PNG
(CHEMBL3264922)
Show SMILES CCn1c(CCCc2ccc(OC(C)(C)C(=O)NS(=O)(=O)c3ccc(cc3)C(F)(F)F)cc2)nn(Cc2ccc(cc2)C(C)(C)C)c1=O
Show InChI InChI=1S/C35H41F3N4O5S/c1-7-41-30(39-42(32(41)44)23-25-11-15-26(16-12-25)33(2,3)4)10-8-9-24-13-19-28(20-14-24)47-34(5,6)31(43)40-48(45,46)29-21-17-27(18-22-29)35(36,37)38/h11-22H,7-10,23H2,1-6H3,(H,40,43)
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n/an/a 34n/an/an/an/an/an/a



Inception Sciences

Curated by ChEMBL


Assay Description
Antagonist activity at human PPAR-alpha assessed as inhibition of GW7647-induced effect after overnight incubation by cell-based luciferase reporter ...


Bioorg Med Chem Lett 24: 2267-72 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.090
BindingDB Entry DOI: 10.7270/Q2GX4D33
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50013729
PNG
(CHEMBL3264919)
Show SMILES CCn1c(CCCc2ccc(OC(C)(C)C(=O)NS(=O)(=O)c3ccccc3)cc2)nn(Cc2ccc(cc2)C(C)(C)C)c1=O
Show InChI InChI=1S/C34H42N4O5S/c1-7-37-30(35-38(32(37)40)24-26-16-20-27(21-17-26)33(2,3)4)15-11-12-25-18-22-28(23-19-25)43-34(5,6)31(39)36-44(41,42)29-13-9-8-10-14-29/h8-10,13-14,16-23H,7,11-12,15,24H2,1-6H3,(H,36,39)
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n/an/a 40n/an/an/an/an/an/a



Inception Sciences

Curated by ChEMBL


Assay Description
Antagonist activity at human PPAR-alpha


Bioorg Med Chem Lett 24: 2267-72 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.090
BindingDB Entry DOI: 10.7270/Q2GX4D33
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50013738
PNG
(CHEMBL3264928)
Show SMILES CCn1c(CCCc2ccc(OC(C)(C)C(=O)NS(=O)(=O)C3=CCOC=C3)cc2)nn(Cc2ccc(cc2)C(C)(C)C)c1=O |c:25,t:21|
Show InChI InChI=1S/C33H42N4O6S/c1-7-36-29(34-37(31(36)39)23-25-11-15-26(16-12-25)32(2,3)4)10-8-9-24-13-17-27(18-14-24)43-33(5,6)30(38)35-44(40,41)28-19-21-42-22-20-28/h11-21H,7-10,22-23H2,1-6H3,(H,35,38)
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n/an/a 42n/an/an/an/an/an/a



Inception Sciences

Curated by ChEMBL


Assay Description
Antagonist activity at human PPAR-alpha assessed as inhibition of GW7647-induced effect after overnight incubation by cell-based luciferase reporter ...


Bioorg Med Chem Lett 24: 2267-72 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.090
BindingDB Entry DOI: 10.7270/Q2GX4D33
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50013739
PNG
(CHEMBL3264929)
Show SMILES CCn1c(CCCc2ccc(CC(C)(C)C(=O)NS(=O)(=O)c3ccccc3)cc2)nn(Cc2ccc(cc2)C(C)(C)C)c1=O
Show InChI InChI=1S/C35H44N4O4S/c1-7-38-31(36-39(33(38)41)25-28-20-22-29(23-21-28)34(2,3)4)15-11-12-26-16-18-27(19-17-26)24-35(5,6)32(40)37-44(42,43)30-13-9-8-10-14-30/h8-10,13-14,16-23H,7,11-12,15,24-25H2,1-6H3,(H,37,40)
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n/an/a 60n/an/an/an/an/an/a



Inception Sciences

Curated by ChEMBL


Assay Description
Antagonist activity at human PPAR-alpha assessed as inhibition of GW7647-induced effect after overnight incubation by cell-based luciferase reporter ...


Bioorg Med Chem Lett 24: 2267-72 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.090
BindingDB Entry DOI: 10.7270/Q2GX4D33
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50013726
PNG
(CHEMBL3264932)
Show SMILES CCn1c(CCCc2ccc(cc2)-c2ccc(NS(=O)(=O)c3ccccc3)cn2)nn(Cc2ccc(cc2)C(C)(C)C)c1=O
Show InChI InChI=1S/C35H39N5O3S/c1-5-39-33(37-40(34(39)41)25-27-16-20-29(21-17-27)35(2,3)4)13-9-10-26-14-18-28(19-15-26)32-23-22-30(24-36-32)38-44(42,43)31-11-7-6-8-12-31/h6-8,11-12,14-24,38H,5,9-10,13,25H2,1-4H3
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n/an/a 77n/an/an/an/an/an/a



Inception Sciences

Curated by ChEMBL


Assay Description
Antagonist activity at human PPAR-alpha assessed as inhibition of GW7647-induced effect after overnight incubation by cell-based luciferase reporter ...


Bioorg Med Chem Lett 24: 2267-72 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.090
BindingDB Entry DOI: 10.7270/Q2GX4D33
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50013737
PNG
(CHEMBL3264927)
Show SMILES CCn1c(CCCc2ccc(OC(C)(C)C(=O)NS(=O)(=O)c3ccoc3)cc2)nn(Cc2ccc(cc2)C(C)(C)C)c1=O
Show InChI InChI=1S/C32H40N4O6S/c1-7-35-28(33-36(30(35)38)21-24-11-15-25(16-12-24)31(2,3)4)10-8-9-23-13-17-26(18-14-23)42-32(5,6)29(37)34-43(39,40)27-19-20-41-22-27/h11-20,22H,7-10,21H2,1-6H3,(H,34,37)
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n/an/a 78n/an/an/an/an/an/a



Inception Sciences

Curated by ChEMBL


Assay Description
Antagonist activity at human PPAR-alpha assessed as inhibition of GW7647-induced effect after overnight incubation by cell-based luciferase reporter ...


Bioorg Med Chem Lett 24: 2267-72 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.090
BindingDB Entry DOI: 10.7270/Q2GX4D33
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50013733
PNG
(CHEMBL3264923)
Show SMILES CCn1c(CCCc2ccc(OC(C)(C)C(=O)NS(=O)(=O)c3cccnc3)cc2)nn(Cc2ccc(cc2)C(C)(C)C)c1=O
Show InChI InChI=1S/C33H41N5O5S/c1-7-37-29(35-38(31(37)40)23-25-13-17-26(18-14-25)32(2,3)4)12-8-10-24-15-19-27(20-16-24)43-33(5,6)30(39)36-44(41,42)28-11-9-21-34-22-28/h9,11,13-22H,7-8,10,12,23H2,1-6H3,(H,36,39)
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Inception Sciences

Curated by ChEMBL


Assay Description
Antagonist activity at human PPAR-alpha assessed as inhibition of GW7647-induced effect after overnight incubation by cell-based luciferase reporter ...


Bioorg Med Chem Lett 24: 2267-72 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.090
BindingDB Entry DOI: 10.7270/Q2GX4D33
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50013743
PNG
(CHEMBL3264934)
Show SMILES CCn1c(CCCc2ccc(cc2)-c2ccc(NS(C)(=O)=O)cn2)nn(Cc2ccc(cc2)C(C)(C)C)c1=O
Show InChI InChI=1S/C30H37N5O3S/c1-6-34-28(32-35(29(34)36)21-23-12-16-25(17-13-23)30(2,3)4)9-7-8-22-10-14-24(15-11-22)27-19-18-26(20-31-27)33-39(5,37)38/h10-20,33H,6-9,21H2,1-5H3
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Inception Sciences

Curated by ChEMBL


Assay Description
Antagonist activity at human PPAR-alpha assessed as inhibition of GW7647-induced effect after overnight incubation by cell-based luciferase reporter ...


Bioorg Med Chem Lett 24: 2267-72 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.090
BindingDB Entry DOI: 10.7270/Q2GX4D33
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50013745
PNG
(CHEMBL3264937)
Show SMILES CCn1c(CCCc2ccc(cc2)-c2ncc(NS(=O)(=O)c3ccccc3)cn2)nn(Cc2ccc(cc2)C(C)(C)C)c1=O
Show InChI InChI=1S/C34H38N6O3S/c1-5-39-31(37-40(33(39)41)24-26-16-20-28(21-17-26)34(2,3)4)13-9-10-25-14-18-27(19-15-25)32-35-22-29(23-36-32)38-44(42,43)30-11-7-6-8-12-30/h6-8,11-12,14-23,38H,5,9-10,13,24H2,1-4H3
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Inception Sciences

Curated by ChEMBL


Assay Description
Antagonist activity at human PPAR-alpha assessed as inhibition of GW7647-induced effect after overnight incubation by cell-based luciferase reporter ...


Bioorg Med Chem Lett 24: 2267-72 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.090
BindingDB Entry DOI: 10.7270/Q2GX4D33
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50013742
PNG
(CHEMBL3264933)
Show SMILES CCn1c(CCCc2ccc(cc2)-c2ccc(NS(=O)(=O)c3ccccc3)nc2)nn(Cc2ccc(cc2)C(C)(C)C)c1=O
Show InChI InChI=1S/C35H39N5O3S/c1-5-39-33(37-40(34(39)41)25-27-16-21-30(22-17-27)35(2,3)4)13-9-10-26-14-18-28(19-15-26)29-20-23-32(36-24-29)38-44(42,43)31-11-7-6-8-12-31/h6-8,11-12,14-24H,5,9-10,13,25H2,1-4H3,(H,36,38)
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n/an/a 122n/an/an/an/an/an/a



Inception Sciences

Curated by ChEMBL


Assay Description
Antagonist activity at human PPAR-alpha assessed as inhibition of GW7647-induced effect after overnight incubation by cell-based luciferase reporter ...


Bioorg Med Chem Lett 24: 2267-72 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.090
BindingDB Entry DOI: 10.7270/Q2GX4D33
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50013746
PNG
(CHEMBL3264938)
Show SMILES CCn1c(CCCc2ccc(cc2)-c2cnc(NS(=O)(=O)c3ccccc3)cn2)nn(Cc2ccc(cc2)C(C)(C)C)c1=O
Show InChI InChI=1S/C34H38N6O3S/c1-5-39-32(37-40(33(39)41)24-26-16-20-28(21-17-26)34(2,3)4)13-9-10-25-14-18-27(19-15-25)30-22-36-31(23-35-30)38-44(42,43)29-11-7-6-8-12-29/h6-8,11-12,14-23H,5,9-10,13,24H2,1-4H3,(H,36,38)
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n/an/a 218n/an/an/an/an/an/a



Inception Sciences

Curated by ChEMBL


Assay Description
Antagonist activity at human PPAR-alpha assessed as inhibition of GW7647-induced effect after overnight incubation by cell-based luciferase reporter ...


Bioorg Med Chem Lett 24: 2267-72 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.090
BindingDB Entry DOI: 10.7270/Q2GX4D33
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50013728
PNG
(CHEBI:79989 | CHEMBL3264918)
Show SMILES CCOC(=O)NC[C@H](Cc1ccc(OCCc2nc(oc2C)-c2ccccc2)cc1)N\C(C)=C/C(=O)c1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1S/C35H36F3N3O5/c1-4-44-34(43)39-22-29(40-23(2)20-32(42)26-12-14-28(15-13-26)35(36,37)38)21-25-10-16-30(17-11-25)45-19-18-31-24(3)46-33(41-31)27-8-6-5-7-9-27/h5-17,20,29,40H,4,18-19,21-22H2,1-3H3,(H,39,43)/b23-20-/t29-/m0/s1
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n/an/a 240n/an/an/an/an/an/a



Inception Sciences

Curated by ChEMBL


Assay Description
Antagonist activity at human PPAR-alpha


Bioorg Med Chem Lett 24: 2267-72 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.090
BindingDB Entry DOI: 10.7270/Q2GX4D33
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50013744
PNG
(CHEMBL3264935)
Show SMILES CCn1c(CCCc2ccc(cc2)-c2ccc(NS(=O)(=O)Cc3ccccc3)cc2)nn(Cc2ccc(cc2)C(C)(C)C)c1=O
Show InChI InChI=1S/C37H42N4O3S/c1-5-40-35(38-41(36(40)42)26-29-16-22-33(23-17-29)37(2,3)4)13-9-12-28-14-18-31(19-15-28)32-20-24-34(25-21-32)39-45(43,44)27-30-10-7-6-8-11-30/h6-8,10-11,14-25,39H,5,9,12-13,26-27H2,1-4H3
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n/an/a 311n/an/an/an/an/an/a



Inception Sciences

Curated by ChEMBL


Assay Description
Antagonist activity at human PPAR-alpha assessed as inhibition of GW7647-induced effect after overnight incubation by cell-based luciferase reporter ...


Bioorg Med Chem Lett 24: 2267-72 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.090
BindingDB Entry DOI: 10.7270/Q2GX4D33
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50013740
PNG
(CHEMBL3264930)
Show SMILES CCn1c(CCCc2ccc(cc2)-c2cccc(NS(=O)(=O)c3ccccc3)c2)nn(Cc2ccc(cc2)C(C)(C)C)c1=O
Show InChI InChI=1S/C36H40N4O3S/c1-5-39-34(37-40(35(39)41)26-28-19-23-31(24-20-28)36(2,3)4)16-9-11-27-17-21-29(22-18-27)30-12-10-13-32(25-30)38-44(42,43)33-14-7-6-8-15-33/h6-8,10,12-15,17-25,38H,5,9,11,16,26H2,1-4H3
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n/an/a 386n/an/an/an/an/an/a



Inception Sciences

Curated by ChEMBL


Assay Description
Antagonist activity at human PPAR-alpha assessed as inhibition of GW7647-induced effect after overnight incubation by cell-based luciferase reporter ...


Bioorg Med Chem Lett 24: 2267-72 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.090
BindingDB Entry DOI: 10.7270/Q2GX4D33
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50013725
PNG
(CHEMBL3264936)
Show SMILES CCn1c(CCCc2ccc(cc2)-c2ccc(NS(=O)(=O)c3ccc(cc3)-c3ccc(OC)cc3)cc2)nn(Cc2ccc(cc2)C(C)(C)C)c1=O
Show InChI InChI=1S/C43H46N4O4S/c1-6-46-41(44-47(42(46)48)30-32-12-22-37(23-13-32)43(2,3)4)9-7-8-31-10-14-33(15-11-31)34-16-24-38(25-17-34)45-52(49,50)40-28-20-36(21-29-40)35-18-26-39(51-5)27-19-35/h10-29,45H,6-9,30H2,1-5H3
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n/an/a 4.80E+3n/an/an/an/an/an/a



Inception Sciences

Curated by ChEMBL


Assay Description
Antagonist activity at human PPAR-alpha assessed as inhibition of GW7647-induced effect after overnight incubation by cell-based luciferase reporter ...


Bioorg Med Chem Lett 24: 2267-72 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.090
BindingDB Entry DOI: 10.7270/Q2GX4D33
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50013726
PNG
(CHEMBL3264932)
Show SMILES CCn1c(CCCc2ccc(cc2)-c2ccc(NS(=O)(=O)c3ccccc3)cn2)nn(Cc2ccc(cc2)C(C)(C)C)c1=O
Show InChI InChI=1S/C35H39N5O3S/c1-5-39-33(37-40(34(39)41)25-27-16-20-29(21-17-27)35(2,3)4)13-9-10-26-14-18-28(19-15-26)32-23-22-30(24-36-32)38-44(42,43)31-11-7-6-8-12-31/h6-8,11-12,14-24,38H,5,9-10,13,25H2,1-4H3
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n/an/a 6.00E+3n/an/an/an/an/an/a



Inception Sciences

Curated by ChEMBL


Assay Description
Inhibition of human PPAR-delta


Bioorg Med Chem Lett 24: 2267-72 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.090
BindingDB Entry DOI: 10.7270/Q2GX4D33
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50013726
PNG
(CHEMBL3264932)
Show SMILES CCn1c(CCCc2ccc(cc2)-c2ccc(NS(=O)(=O)c3ccccc3)cn2)nn(Cc2ccc(cc2)C(C)(C)C)c1=O
Show InChI InChI=1S/C35H39N5O3S/c1-5-39-33(37-40(34(39)41)25-27-16-20-29(21-17-27)35(2,3)4)13-9-10-26-14-18-28(19-15-26)32-23-22-30(24-36-32)38-44(42,43)31-11-7-6-8-12-31/h6-8,11-12,14-24,38H,5,9-10,13,25H2,1-4H3
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n/an/a 1.50E+4n/an/an/an/an/an/a



Inception Sciences

Curated by ChEMBL


Assay Description
Inhibition of human PPAR-gamma


Bioorg Med Chem Lett 24: 2267-72 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.090
BindingDB Entry DOI: 10.7270/Q2GX4D33
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))
BDBM50013726
PNG
(CHEMBL3264932)
Show SMILES CCn1c(CCCc2ccc(cc2)-c2ccc(NS(=O)(=O)c3ccccc3)cn2)nn(Cc2ccc(cc2)C(C)(C)C)c1=O
Show InChI InChI=1S/C35H39N5O3S/c1-5-39-33(37-40(34(39)41)25-27-16-20-29(21-17-27)35(2,3)4)13-9-10-26-14-18-28(19-15-26)32-23-22-30(24-36-32)38-44(42,43)31-11-7-6-8-12-31/h6-8,11-12,14-24,38H,5,9-10,13,25H2,1-4H3
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n/an/a 1.52E+4n/an/an/an/an/an/a



Inception Sciences

Curated by ChEMBL


Assay Description
Inhibition of human estrogen receptor beta


Bioorg Med Chem Lett 24: 2267-72 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.090
BindingDB Entry DOI: 10.7270/Q2GX4D33
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50013725
PNG
(CHEMBL3264936)
Show SMILES CCn1c(CCCc2ccc(cc2)-c2ccc(NS(=O)(=O)c3ccc(cc3)-c3ccc(OC)cc3)cc2)nn(Cc2ccc(cc2)C(C)(C)C)c1=O
Show InChI InChI=1S/C43H46N4O4S/c1-6-46-41(44-47(42(46)48)30-32-12-22-37(23-13-32)43(2,3)4)9-7-8-31-10-14-33(15-11-31)34-16-24-38(25-17-34)45-52(49,50)40-28-20-36(21-29-40)35-18-26-39(51-5)27-19-35/h10-29,45H,6-9,30H2,1-5H3
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n/an/a 3.20E+4n/an/an/an/an/an/a



Inception Sciences

Curated by ChEMBL


Assay Description
Inhibition of human glucocorticoid receptor


Bioorg Med Chem Lett 24: 2267-72 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.090
BindingDB Entry DOI: 10.7270/Q2GX4D33
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50013726
PNG
(CHEMBL3264932)
Show SMILES CCn1c(CCCc2ccc(cc2)-c2ccc(NS(=O)(=O)c3ccccc3)cn2)nn(Cc2ccc(cc2)C(C)(C)C)c1=O
Show InChI InChI=1S/C35H39N5O3S/c1-5-39-33(37-40(34(39)41)25-27-16-20-29(21-17-27)35(2,3)4)13-9-10-26-14-18-28(19-15-26)32-23-22-30(24-36-32)38-44(42,43)31-11-7-6-8-12-31/h6-8,11-12,14-24,38H,5,9-10,13,25H2,1-4H3
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n/an/a 3.25E+4n/an/an/an/an/an/a



Inception Sciences

Curated by ChEMBL


Assay Description
Inhibition of human glucocorticoid receptor


Bioorg Med Chem Lett 24: 2267-72 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.090
BindingDB Entry DOI: 10.7270/Q2GX4D33
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))
BDBM50013725
PNG
(CHEMBL3264936)
Show SMILES CCn1c(CCCc2ccc(cc2)-c2ccc(NS(=O)(=O)c3ccc(cc3)-c3ccc(OC)cc3)cc2)nn(Cc2ccc(cc2)C(C)(C)C)c1=O
Show InChI InChI=1S/C43H46N4O4S/c1-6-46-41(44-47(42(46)48)30-32-12-22-37(23-13-32)43(2,3)4)9-7-8-31-10-14-33(15-11-31)34-16-24-38(25-17-34)45-52(49,50)40-28-20-36(21-29-40)35-18-26-39(51-5)27-19-35/h10-29,45H,6-9,30H2,1-5H3
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n/an/a 3.48E+4n/an/an/an/an/an/a



Inception Sciences

Curated by ChEMBL


Assay Description
Inhibition of human estrogen receptor beta


Bioorg Med Chem Lett 24: 2267-72 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.090
BindingDB Entry DOI: 10.7270/Q2GX4D33
More data for this
Ligand-Target Pair
Thyroid hormone receptor beta


(Homo sapiens (Human))
BDBM50013725
PNG
(CHEMBL3264936)
Show SMILES CCn1c(CCCc2ccc(cc2)-c2ccc(NS(=O)(=O)c3ccc(cc3)-c3ccc(OC)cc3)cc2)nn(Cc2ccc(cc2)C(C)(C)C)c1=O
Show InChI InChI=1S/C43H46N4O4S/c1-6-46-41(44-47(42(46)48)30-32-12-22-37(23-13-32)43(2,3)4)9-7-8-31-10-14-33(15-11-31)34-16-24-38(25-17-34)45-52(49,50)40-28-20-36(21-29-40)35-18-26-39(51-5)27-19-35/h10-29,45H,6-9,30H2,1-5H3
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n/an/a>6.90E+4n/an/an/an/an/an/a



Inception Sciences

Curated by ChEMBL


Assay Description
Inhibition of human thyroid hormone receptor-beta


Bioorg Med Chem Lett 24: 2267-72 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.090
BindingDB Entry DOI: 10.7270/Q2GX4D33
More data for this
Ligand-Target Pair
Thyroid hormone receptor beta


(Homo sapiens (Human))
BDBM50013726
PNG
(CHEMBL3264932)
Show SMILES CCn1c(CCCc2ccc(cc2)-c2ccc(NS(=O)(=O)c3ccccc3)cn2)nn(Cc2ccc(cc2)C(C)(C)C)c1=O
Show InChI InChI=1S/C35H39N5O3S/c1-5-39-33(37-40(34(39)41)25-27-16-20-29(21-17-27)35(2,3)4)13-9-10-26-14-18-28(19-15-26)32-23-22-30(24-36-32)38-44(42,43)31-11-7-6-8-12-31/h6-8,11-12,14-24,38H,5,9-10,13,25H2,1-4H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Inception Sciences

Curated by ChEMBL


Assay Description
Inhibition of human thyroid hormone receptor-beta


Bioorg Med Chem Lett 24: 2267-72 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.090
BindingDB Entry DOI: 10.7270/Q2GX4D33
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50013725
PNG
(CHEMBL3264936)
Show SMILES CCn1c(CCCc2ccc(cc2)-c2ccc(NS(=O)(=O)c3ccc(cc3)-c3ccc(OC)cc3)cc2)nn(Cc2ccc(cc2)C(C)(C)C)c1=O
Show InChI InChI=1S/C43H46N4O4S/c1-6-46-41(44-47(42(46)48)30-32-12-22-37(23-13-32)43(2,3)4)9-7-8-31-10-14-33(15-11-31)34-16-24-38(25-17-34)45-52(49,50)40-28-20-36(21-29-40)35-18-26-39(51-5)27-19-35/h10-29,45H,6-9,30H2,1-5H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Inception Sciences

Curated by ChEMBL


Assay Description
Inhibition of human PPAR-delta


Bioorg Med Chem Lett 24: 2267-72 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.090
BindingDB Entry DOI: 10.7270/Q2GX4D33
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50013725
PNG
(CHEMBL3264936)
Show SMILES CCn1c(CCCc2ccc(cc2)-c2ccc(NS(=O)(=O)c3ccc(cc3)-c3ccc(OC)cc3)cc2)nn(Cc2ccc(cc2)C(C)(C)C)c1=O
Show InChI InChI=1S/C43H46N4O4S/c1-6-46-41(44-47(42(46)48)30-32-12-22-37(23-13-32)43(2,3)4)9-7-8-31-10-14-33(15-11-31)34-16-24-38(25-17-34)45-52(49,50)40-28-20-36(21-29-40)35-18-26-39(51-5)27-19-35/h10-29,45H,6-9,30H2,1-5H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Inception Sciences

Curated by ChEMBL


Assay Description
Inhibition of human PPAR-gamma


Bioorg Med Chem Lett 24: 2267-72 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.090
BindingDB Entry DOI: 10.7270/Q2GX4D33
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50013726
PNG
(CHEMBL3264932)
Show SMILES CCn1c(CCCc2ccc(cc2)-c2ccc(NS(=O)(=O)c3ccccc3)cn2)nn(Cc2ccc(cc2)C(C)(C)C)c1=O
Show InChI InChI=1S/C35H39N5O3S/c1-5-39-33(37-40(34(39)41)25-27-16-20-29(21-17-27)35(2,3)4)13-9-10-26-14-18-28(19-15-26)32-23-22-30(24-36-32)38-44(42,43)31-11-7-6-8-12-31/h6-8,11-12,14-24,38H,5,9-10,13,25H2,1-4H3
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n/an/an/an/a>1.00E+5n/an/an/an/a



Inception Sciences

Curated by ChEMBL


Assay Description
Agonist activity at human PPAR-alpha


Bioorg Med Chem Lett 24: 2267-72 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.090
BindingDB Entry DOI: 10.7270/Q2GX4D33
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50135780
PNG
(2-Methyl-2-(4-{3-[1-(4-methyl-benzyl)-5-oxo-4,5-di...)
Show SMILES Cc1ccc(Cn2nc(CCCc3ccc(OC(C)(C)C(O)=O)cc3)[nH]c2=O)cc1
Show InChI InChI=1S/C23H27N3O4/c1-16-7-9-18(10-8-16)15-26-22(29)24-20(25-26)6-4-5-17-11-13-19(14-12-17)30-23(2,3)21(27)28/h7-14H,4-6,15H2,1-3H3,(H,27,28)(H,24,25,29)
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n/an/an/an/a 42n/an/an/an/a



Inception Sciences

Curated by ChEMBL


Assay Description
Agonist activity at human PPAR-alpha


Bioorg Med Chem Lett 24: 2267-72 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.090
BindingDB Entry DOI: 10.7270/Q2GX4D33
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50013727
PNG
(CHEBI:79990 | CHEMBL410478 | GW409544)
Show SMILES C\C(N[C@@H](Cc1ccc(OCCc2nc(oc2C)-c2ccccc2)cc1)C(O)=O)=C\C(=O)c1ccccc1 |r|
Show InChI InChI=1S/C31H30N2O5/c1-21(19-29(34)24-9-5-3-6-10-24)32-28(31(35)36)20-23-13-15-26(16-14-23)37-18-17-27-22(2)38-30(33-27)25-11-7-4-8-12-25/h3-16,19,28,32H,17-18,20H2,1-2H3,(H,35,36)/b21-19-/t28-/m0/s1
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n/an/an/an/a 240n/an/an/an/a



Inception Sciences

Curated by ChEMBL


Assay Description
Agonist activity at human PPAR-alpha


Bioorg Med Chem Lett 24: 2267-72 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.090
BindingDB Entry DOI: 10.7270/Q2GX4D33
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50013726
PNG
(CHEMBL3264932)
Show SMILES CCn1c(CCCc2ccc(cc2)-c2ccc(NS(=O)(=O)c3ccccc3)cn2)nn(Cc2ccc(cc2)C(C)(C)C)c1=O
Show InChI InChI=1S/C35H39N5O3S/c1-5-39-33(37-40(34(39)41)25-27-16-20-29(21-17-27)35(2,3)4)13-9-10-26-14-18-28(19-15-26)32-23-22-30(24-36-32)38-44(42,43)31-11-7-6-8-12-31/h6-8,11-12,14-24,38H,5,9-10,13,25H2,1-4H3
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n/an/an/an/a 1.40E+3n/an/an/an/a



Inception Sciences

Curated by ChEMBL


Assay Description
Antagonist activity at GST-tagged PPAR-alpha (unknown origin) assessed as inhibition of GW7647-induced effect after 2 hrs by TR-FRET assay


Bioorg Med Chem Lett 24: 2267-72 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.090
BindingDB Entry DOI: 10.7270/Q2GX4D33
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%