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Compile Data Set for Download or QSAR

Found 372 hits with Last Name = 'meyers' and Initial = 'd'   
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
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))
BDBM50239481
PNG
(CHEMBL4061308)
Show SMILES COc1ccc(cc1)-c1nnc(o1)-c1ccc2nc([nH]c2c1)-c1c(C)cc(CCC(O)=O)cc1C
Show InChI InChI=1S/C27H24N4O4/c1-15-12-17(4-11-23(32)33)13-16(2)24(15)25-28-21-10-7-19(14-22(21)29-25)27-31-30-26(35-27)18-5-8-20(34-3)9-6-18/h5-10,12-14H,4,11H2,1-3H3,(H,28,29)(H,32,33)
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n/an/a 10n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His6-tagged DGAT1 expressed in Sf9 insect cell membranes assessed as inhibition of triglyceride formation using diole...


J Med Chem 60: 4657-4664 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00173
BindingDB Entry DOI: 10.7270/Q2B27XF2
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))
BDBM50239482
PNG
(CHEMBL1683001)
Show SMILES Cc1cc(CCC(O)=O)cc(C)c1-c1nc2ccc(cc2[nH]1)C(=O)Nc1ccc2ccccc2n1
Show InChI InChI=1S/C28H24N4O3/c1-16-13-18(7-12-25(33)34)14-17(2)26(16)27-30-22-10-8-20(15-23(22)31-27)28(35)32-24-11-9-19-5-3-4-6-21(19)29-24/h3-6,8-11,13-15H,7,12H2,1-2H3,(H,30,31)(H,33,34)(H,29,32,35)
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n/an/a 14n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His6-tagged DGAT1 expressed in Sf9 insect cell membranes assessed as inhibition of triglyceride formation using diole...


J Med Chem 60: 4657-4664 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00173
BindingDB Entry DOI: 10.7270/Q2B27XF2
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))
BDBM50239480
PNG
(CHEMBL4074410)
Show SMILES COc1ccc(cc1)-c1nnc(o1)-c1ccc2nc([nH]c2c1)-c1c(C)cc(CC(C)(C)C(O)=O)cc1C
Show InChI InChI=1S/C29H28N4O4/c1-16-12-18(15-29(3,4)28(34)35)13-17(2)24(16)25-30-22-11-8-20(14-23(22)31-25)27-33-32-26(37-27)19-6-9-21(36-5)10-7-19/h6-14H,15H2,1-5H3,(H,30,31)(H,34,35)
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n/an/a 17n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His6-tagged DGAT1 expressed in Sf9 insect cell membranes assessed as inhibition of triglyceride formation using diole...


J Med Chem 60: 4657-4664 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00173
BindingDB Entry DOI: 10.7270/Q2B27XF2
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))
BDBM50239484
PNG
(CHEMBL4103025)
Show SMILES COc1ccc(cc1)-c1nnc(o1)-c1ccc2nc([nH]c2c1)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C22H14Cl2N4O2/c1-29-14-8-5-12(6-9-14)21-27-28-22(30-21)13-7-10-17-18(11-13)26-20(25-17)19-15(23)3-2-4-16(19)24/h2-11H,1H3,(H,25,26)
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n/an/a 23n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His6-tagged DGAT1 expressed in Sf9 insect cell membranes assessed as inhibition of triglyceride formation using diole...


J Med Chem 60: 4657-4664 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00173
BindingDB Entry DOI: 10.7270/Q2B27XF2
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))
BDBM50239483
PNG
(CHEMBL4088335)
Show SMILES Cc1cc(CC(C)(C)C(O)=O)cc(C)c1-c1nc2ccc(cc2[nH]1)C(=O)Nc1ccc2ccccc2n1
Show InChI InChI=1S/C30H28N4O3/c1-17-13-19(16-30(3,4)29(36)37)14-18(2)26(17)27-32-23-11-9-21(15-24(23)33-27)28(35)34-25-12-10-20-7-5-6-8-22(20)31-25/h5-15H,16H2,1-4H3,(H,32,33)(H,36,37)(H,31,34,35)
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n/an/a 32n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His6-tagged DGAT1 expressed in Sf9 insect cell membranes assessed as inhibition of triglyceride formation using diole...


J Med Chem 60: 4657-4664 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00173
BindingDB Entry DOI: 10.7270/Q2B27XF2
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))
BDBM50239486
PNG
(CHEMBL4062866)
Show SMILES Clc1ccc(cc1)-c1nnc(o1)-c1ccc2nc([nH]c2c1)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C21H11Cl3N4O/c22-13-7-4-11(5-8-13)20-27-28-21(29-20)12-6-9-16-17(10-12)26-19(25-16)18-14(23)2-1-3-15(18)24/h1-10H,(H,25,26)
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n/an/a 47n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His6-tagged DGAT1 expressed in Sf9 insect cell membranes assessed as inhibition of triglyceride formation using diole...


J Med Chem 60: 4657-4664 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00173
BindingDB Entry DOI: 10.7270/Q2B27XF2
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM28802
PNG
(2-{[(5-{[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-...)
Show SMILES COC(=O)N(CC(O)=O)Cc1cc(OCc2nc(oc2C)-c2ccc(Cl)cc2)ccc1F
Show InChI InChI=1S/C22H20ClFN2O6/c1-13-19(25-21(32-13)14-3-5-16(23)6-4-14)12-31-17-7-8-18(24)15(9-17)10-26(11-20(27)28)22(29)30-2/h3-9H,10-12H2,1-2H3,(H,27,28)
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n/an/a 97n/a 4n/an/a8.022



Bristol-Myers Squibb Company



Assay Description
For hPPAR alpha, percentage inhibition was calculated relative to unlabeled GW2331, which was used as the active site-specific competitive binder. Fl...


J Pharmacol Exp Ther 327: 716-26 (2008)


Article DOI: 10.1124/jpet.108.143271
BindingDB Entry DOI: 10.7270/Q2VD6WT9
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM28802
PNG
(2-{[(5-{[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-...)
Show SMILES COC(=O)N(CC(O)=O)Cc1cc(OCc2nc(oc2C)-c2ccc(Cl)cc2)ccc1F
Show InChI InChI=1S/C22H20ClFN2O6/c1-13-19(25-21(32-13)14-3-5-16(23)6-4-14)12-31-17-7-8-18(24)15(9-17)10-26(11-20(27)28)22(29)30-2/h3-9H,10-12H2,1-2H3,(H,27,28)
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n/an/a 97n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Binding affinity to human GST-tagged PPAR-alpha LBD expressed in Escherichia coli BL21 (DE3) PlysS after 30 mins in presence of fluorescein ligand FL...


ACS Med Chem Lett 7: 590-4 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00033
BindingDB Entry DOI: 10.7270/Q2CR5W99
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))
BDBM50239485
PNG
(CHEMBL4060245)
Show SMILES Clc1ccc(cc1)-c1cnc(o1)-c1ccc2nc([nH]c2c1)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C22H12Cl3N3O/c23-14-7-4-12(5-8-14)19-11-26-22(29-19)13-6-9-17-18(10-13)28-21(27-17)20-15(24)2-1-3-16(20)25/h1-11H,(H,27,28)
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n/an/a 132n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His6-tagged DGAT1 expressed in Sf9 insect cell membranes assessed as inhibition of triglyceride formation using diole...


J Med Chem 60: 4657-4664 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00173
BindingDB Entry DOI: 10.7270/Q2B27XF2
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50314811
PNG
(2-((4-(2-(2-(4-chlorophenyl)-5-methyloxazol-4-yl)e...)
Show SMILES Cc1oc(nc1CCOc1ccc(CN(CC(O)=O)C(=O)Oc2ccc(C)cc2)cc1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C29H27ClN2O6/c1-19-3-11-25(12-4-19)38-29(35)32(18-27(33)34)17-21-5-13-24(14-6-21)36-16-15-26-20(2)37-28(31-26)22-7-9-23(30)10-8-22/h3-14H,15-18H2,1-2H3,(H,33,34)
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n/an/a 141n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity to human His-tagged PPARgamma LBD (Q203-Y477) expressed in Escherichia coli BL21 (DE3) by fluorescence polarization assay


J Med Chem 53: 2854-64 (2010)


Article DOI: 10.1021/jm9016812
BindingDB Entry DOI: 10.7270/Q2B56JW0
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Mus musculus (mouse))
BDBM50239480
PNG
(CHEMBL4074410)
Show SMILES COc1ccc(cc1)-c1nnc(o1)-c1ccc2nc([nH]c2c1)-c1c(C)cc(CC(C)(C)C(O)=O)cc1C
Show InChI InChI=1S/C29H28N4O4/c1-16-12-18(15-29(3,4)28(34)35)13-17(2)24(16)25-30-22-11-8-20(14-23(22)31-25)27-33-32-26(37-27)19-6-9-21(36-5)10-7-19/h6-14H,15H2,1-5H3,(H,30,31)(H,34,35)
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n/an/a 151n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibitory activity against purine nucleoside phosphorylase (PNPase )


J Med Chem 60: 4657-4664 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00173
BindingDB Entry DOI: 10.7270/Q2B27XF2
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50314813
PNG
(2-((3-(2-(2-(4-chlorophenyl)-5-methyloxazol-4-yl)e...)
Show SMILES Cc1oc(nc1CCOc1cccc(CN(CC(O)=O)C(=O)Oc2ccc(C)cc2)c1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C29H27ClN2O6/c1-19-6-12-24(13-7-19)38-29(35)32(18-27(33)34)17-21-4-3-5-25(16-21)36-15-14-26-20(2)37-28(31-26)22-8-10-23(30)11-9-22/h3-13,16H,14-15,17-18H2,1-2H3,(H,33,34)
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n/an/a 162n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity to human His-tagged PPARgamma LBD (Q203-Y477) expressed in Escherichia coli BL21 (DE3) by fluorescence polarization assay


J Med Chem 53: 2854-64 (2010)


Article DOI: 10.1021/jm9016812
BindingDB Entry DOI: 10.7270/Q2B56JW0
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Mus musculus (mouse))
BDBM50239481
PNG
(CHEMBL4061308)
Show SMILES COc1ccc(cc1)-c1nnc(o1)-c1ccc2nc([nH]c2c1)-c1c(C)cc(CCC(O)=O)cc1C
Show InChI InChI=1S/C27H24N4O4/c1-15-12-17(4-11-23(32)33)13-16(2)24(15)25-28-21-10-7-19(14-22(21)29-25)27-31-30-26(35-27)18-5-8-20(34-3)9-6-18/h5-10,12-14H,4,11H2,1-3H3,(H,28,29)(H,32,33)
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n/an/a 181n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of DGTA1 in mouse C2C12 cells assessed as inhibition of triglyceride formation after 2 hrs by LC/MS/MS analysis


J Med Chem 60: 4657-4664 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00173
BindingDB Entry DOI: 10.7270/Q2B27XF2
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50314832
PNG
(2-((3-((2-(4-chlorophenyl)-5-methyloxazol-4-yl)met...)
Show SMILES Cc1oc(nc1COc1cccc(CN(CC(O)=O)C(=O)OC2CCC2)c1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C25H25ClN2O6/c1-16-22(27-24(33-16)18-8-10-19(26)11-9-18)15-32-21-7-2-4-17(12-21)13-28(14-23(29)30)25(31)34-20-5-3-6-20/h2,4,7-12,20H,3,5-6,13-15H2,1H3,(H,29,30)
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n/an/a 228n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity to human His-tagged PPARalpha LBD (E196-Y468) expressed in Escherichia coli BL21 (DE3) by fluorescence polarization assay


J Med Chem 53: 2854-64 (2010)


Article DOI: 10.1021/jm9016812
BindingDB Entry DOI: 10.7270/Q2B56JW0
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50314812
PNG
(2-((4-((2-(4-chlorophenyl)-5-methyloxazol-4-yl)met...)
Show SMILES Cc1oc(nc1COc1ccc(CN(CC(O)=O)C(=O)Oc2ccc(C)cc2)cc1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C28H25ClN2O6/c1-18-3-11-24(12-4-18)37-28(34)31(16-26(32)33)15-20-5-13-23(14-6-20)35-17-25-19(2)36-27(30-25)21-7-9-22(29)10-8-21/h3-14H,15-17H2,1-2H3,(H,32,33)
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n/an/a 248n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity to human His-tagged PPARgamma LBD (Q203-Y477) expressed in Escherichia coli BL21 (DE3) by fluorescence polarization assay


J Med Chem 53: 2854-64 (2010)


Article DOI: 10.1021/jm9016812
BindingDB Entry DOI: 10.7270/Q2B56JW0
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM28800
PNG
(2-{[(3-{[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-...)
Show SMILES COC(=O)N(CC(O)=O)Cc1cccc(OCc2nc(oc2C)-c2ccc(Cl)cc2)c1
Show InChI InChI=1S/C22H21ClN2O6/c1-14-19(24-21(31-14)16-6-8-17(23)9-7-16)13-30-18-5-3-4-15(10-18)11-25(12-20(26)27)22(28)29-2/h3-10H,11-13H2,1-2H3,(H,26,27)
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n/an/a 260n/a 10n/an/a8.022



Bristol-Myers Squibb Company



Assay Description
For hPPAR alpha, percentage inhibition was calculated relative to unlabeled GW2331, which was used as the active site-specific competitive binder. Fl...


J Pharmacol Exp Ther 327: 716-26 (2008)


Article DOI: 10.1124/jpet.108.143271
BindingDB Entry DOI: 10.7270/Q2VD6WT9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM28800
PNG
(2-{[(3-{[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-...)
Show SMILES COC(=O)N(CC(O)=O)Cc1cccc(OCc2nc(oc2C)-c2ccc(Cl)cc2)c1
Show InChI InChI=1S/C22H21ClN2O6/c1-14-19(24-21(31-14)16-6-8-17(23)9-7-16)13-30-18-5-3-4-15(10-18)11-25(12-20(26)27)22(28)29-2/h3-10H,11-13H2,1-2H3,(H,26,27)
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n/an/a 260n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity to human His-tagged PPARalpha LBD (E196-Y468) expressed in Escherichia coli BL21 (DE3) by fluorescence polarization assay


J Med Chem 53: 2854-64 (2010)


Article DOI: 10.1021/jm9016812
BindingDB Entry DOI: 10.7270/Q2B56JW0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))
BDBM50239479
PNG
(CHEMBL4088473)
Show SMILES Clc1ccc(NC(=O)c2ccc3nc([nH]c3c2)-c2c(Cl)cccc2Cl)cc1
Show InChI InChI=1S/C20H12Cl3N3O/c21-12-5-7-13(8-6-12)24-20(27)11-4-9-16-17(10-11)26-19(25-16)18-14(22)2-1-3-15(18)23/h1-10H,(H,24,27)(H,25,26)
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n/an/a 280n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His6-tagged DGAT1 expressed in Sf9 insect cell membranes assessed as inhibition of triglyceride formation using diole...


J Med Chem 60: 4657-4664 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00173
BindingDB Entry DOI: 10.7270/Q2B27XF2
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50314834
PNG
(2-((3-((2-(4-chlorophenyl)-5-methyloxazol-4-yl)met...)
Show SMILES CCCOC(=O)N(CC(O)=O)Cc1cccc(OCc2nc(oc2C)-c2ccc(Cl)cc2)c1
Show InChI InChI=1S/C24H25ClN2O6/c1-3-11-31-24(30)27(14-22(28)29)13-17-5-4-6-20(12-17)32-15-21-16(2)33-23(26-21)18-7-9-19(25)10-8-18/h4-10,12H,3,11,13-15H2,1-2H3,(H,28,29)
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Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity to human His-tagged PPARalpha LBD (E196-Y468) expressed in Escherichia coli BL21 (DE3) by fluorescence polarization assay


J Med Chem 53: 2854-64 (2010)


Article DOI: 10.1021/jm9016812
BindingDB Entry DOI: 10.7270/Q2B56JW0
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50314814
PNG
(2-((3-((2-(4-chlorophenyl)-5-methyloxazol-4-yl)met...)
Show SMILES Cc1oc(nc1COc1cccc(CN(CC(O)=O)C(=O)Oc2ccc(C)cc2)c1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C28H25ClN2O6/c1-18-6-12-23(13-7-18)37-28(34)31(16-26(32)33)15-20-4-3-5-24(14-20)35-17-25-19(2)36-27(30-25)21-8-10-22(29)11-9-21/h3-14H,15-17H2,1-2H3,(H,32,33)
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Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity to human His-tagged PPARalpha LBD (E196-Y468) expressed in Escherichia coli BL21 (DE3) by fluorescence polarization assay


J Med Chem 53: 2854-64 (2010)


Article DOI: 10.1021/jm9016812
BindingDB Entry DOI: 10.7270/Q2B56JW0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50314833
PNG
(2-((3-((2-(4-chlorophenyl)-5-methyloxazol-4-yl)met...)
Show SMILES Cc1oc(nc1COc1cccc(CN(CC(O)=O)C(=O)OCC2CC2)c1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C25H25ClN2O6/c1-16-22(27-24(34-16)19-7-9-20(26)10-8-19)15-32-21-4-2-3-18(11-21)12-28(13-23(29)30)25(31)33-14-17-5-6-17/h2-4,7-11,17H,5-6,12-15H2,1H3,(H,29,30)
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n/an/a 351n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity to human His-tagged PPARalpha LBD (E196-Y468) expressed in Escherichia coli BL21 (DE3) by fluorescence polarization assay


J Med Chem 53: 2854-64 (2010)


Article DOI: 10.1021/jm9016812
BindingDB Entry DOI: 10.7270/Q2B56JW0
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50314820
PNG
(2-((3-((2-(4-fluorophenyl)-5-methyloxazol-4-yl)met...)
Show SMILES Cc1oc(nc1COc1cccc(CN(CC(O)=O)C(=O)Oc2ccc(C)cc2)c1)-c1ccc(F)cc1
Show InChI InChI=1S/C28H25FN2O6/c1-18-6-12-23(13-7-18)37-28(34)31(16-26(32)33)15-20-4-3-5-24(14-20)35-17-25-19(2)36-27(30-25)21-8-10-22(29)11-9-21/h3-14H,15-17H2,1-2H3,(H,32,33)
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Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity to human His-tagged PPARalpha LBD (E196-Y468) expressed in Escherichia coli BL21 (DE3) by fluorescence polarization assay


J Med Chem 53: 2854-64 (2010)


Article DOI: 10.1021/jm9016812
BindingDB Entry DOI: 10.7270/Q2B56JW0
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50314823
PNG
(2-((3-((5-methyl-2-p-tolyloxazol-4-yl)methoxy)benz...)
Show SMILES Cc1oc(nc1COc1cccc(CN(CC(O)=O)C(=O)Oc2ccc(C)cc2)c1)-c1ccc(C)cc1
Show InChI InChI=1S/C29H28N2O6/c1-19-7-11-23(12-8-19)28-30-26(21(3)36-28)18-35-25-6-4-5-22(15-25)16-31(17-27(32)33)29(34)37-24-13-9-20(2)10-14-24/h4-15H,16-18H2,1-3H3,(H,32,33)
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Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity to human His-tagged PPARalpha LBD (E196-Y468) expressed in Escherichia coli BL21 (DE3) by fluorescence polarization assay


J Med Chem 53: 2854-64 (2010)


Article DOI: 10.1021/jm9016812
BindingDB Entry DOI: 10.7270/Q2B56JW0
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50314822
PNG
(2-((3-((2-(4-methoxyphenyl)-5-methyloxazol-4-yl)me...)
Show SMILES COc1ccc(cc1)-c1nc(COc2cccc(CN(CC(O)=O)C(=O)Oc3ccc(C)cc3)c2)c(C)o1
Show InChI InChI=1S/C29H28N2O7/c1-19-7-11-24(12-8-19)38-29(34)31(17-27(32)33)16-21-5-4-6-25(15-21)36-18-26-20(2)37-28(30-26)22-9-13-23(35-3)14-10-22/h4-15H,16-18H2,1-3H3,(H,32,33)
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Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity to human His-tagged PPARalpha LBD (E196-Y468) expressed in Escherichia coli BL21 (DE3) by fluorescence polarization assay


J Med Chem 53: 2854-64 (2010)


Article DOI: 10.1021/jm9016812
BindingDB Entry DOI: 10.7270/Q2B56JW0
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50314819
PNG
(2-((3-((2-(3-chlorophenyl)-5-methyloxazol-4-yl)met...)
Show SMILES Cc1oc(nc1COc1cccc(CN(CC(O)=O)C(=O)Oc2ccc(C)cc2)c1)-c1cccc(Cl)c1
Show InChI InChI=1S/C28H25ClN2O6/c1-18-9-11-23(12-10-18)37-28(34)31(16-26(32)33)15-20-5-3-8-24(13-20)35-17-25-19(2)36-27(30-25)21-6-4-7-22(29)14-21/h3-14H,15-17H2,1-2H3,(H,32,33)
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Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity to human His-tagged PPARgamma LBD (Q203-Y477) expressed in Escherichia coli BL21 (DE3) by fluorescence polarization assay


J Med Chem 53: 2854-64 (2010)


Article DOI: 10.1021/jm9016812
BindingDB Entry DOI: 10.7270/Q2B56JW0
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50314831
PNG
(2-((3-((2-(4-chlorophenyl)-5-methyloxazol-4-yl)met...)
Show SMILES Cc1oc(nc1COc1cccc(CN(CC(O)=O)C(=O)OC2CCCC2)c1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C26H27ClN2O6/c1-17-23(28-25(34-17)19-9-11-20(27)12-10-19)16-33-22-8-4-5-18(13-22)14-29(15-24(30)31)26(32)35-21-6-2-3-7-21/h4-5,8-13,21H,2-3,6-7,14-16H2,1H3,(H,30,31)
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Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity to human His-tagged PPARalpha LBD (E196-Y468) expressed in Escherichia coli BL21 (DE3) by fluorescence polarization assay


J Med Chem 53: 2854-64 (2010)


Article DOI: 10.1021/jm9016812
BindingDB Entry DOI: 10.7270/Q2B56JW0
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50314818
PNG
(2-((3-((2-(2-chlorophenyl)-5-methyloxazol-4-yl)met...)
Show SMILES Cc1oc(nc1COc1cccc(CN(CC(O)=O)C(=O)Oc2ccc(C)cc2)c1)-c1ccccc1Cl
Show InChI InChI=1S/C28H25ClN2O6/c1-18-10-12-21(13-11-18)37-28(34)31(16-26(32)33)15-20-6-5-7-22(14-20)35-17-25-19(2)36-27(30-25)23-8-3-4-9-24(23)29/h3-14H,15-17H2,1-2H3,(H,32,33)
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Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity to human His-tagged PPARalpha LBD (E196-Y468) expressed in Escherichia coli BL21 (DE3) by fluorescence polarization assay


J Med Chem 53: 2854-64 (2010)


Article DOI: 10.1021/jm9016812
BindingDB Entry DOI: 10.7270/Q2B56JW0
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50314819
PNG
(2-((3-((2-(3-chlorophenyl)-5-methyloxazol-4-yl)met...)
Show SMILES Cc1oc(nc1COc1cccc(CN(CC(O)=O)C(=O)Oc2ccc(C)cc2)c1)-c1cccc(Cl)c1
Show InChI InChI=1S/C28H25ClN2O6/c1-18-9-11-23(12-10-18)37-28(34)31(16-26(32)33)15-20-5-3-8-24(13-20)35-17-25-19(2)36-27(30-25)21-6-4-7-22(29)14-21/h3-14H,15-17H2,1-2H3,(H,32,33)
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Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity to human His-tagged PPARalpha LBD (E196-Y468) expressed in Escherichia coli BL21 (DE3) by fluorescence polarization assay


J Med Chem 53: 2854-64 (2010)


Article DOI: 10.1021/jm9016812
BindingDB Entry DOI: 10.7270/Q2B56JW0
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50314821
PNG
(2-((3-((2-(4-cyanophenyl)-5-methyloxazol-4-yl)meth...)
Show SMILES Cc1oc(nc1COc1cccc(CN(CC(O)=O)C(=O)Oc2ccc(C)cc2)c1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C29H25N3O6/c1-19-6-12-24(13-7-19)38-29(35)32(17-27(33)34)16-22-4-3-5-25(14-22)36-18-26-20(2)37-28(31-26)23-10-8-21(15-30)9-11-23/h3-14H,16-18H2,1-2H3,(H,33,34)
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Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity to human His-tagged PPARalpha LBD (E196-Y468) expressed in Escherichia coli BL21 (DE3) by fluorescence polarization assay


J Med Chem 53: 2854-64 (2010)


Article DOI: 10.1021/jm9016812
BindingDB Entry DOI: 10.7270/Q2B56JW0
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50314826
PNG
(2-((3-((2-(4-tert-butylphenyl)-5-methyloxazol-4-yl...)
Show SMILES Cc1oc(nc1COc1cccc(CN(CC(O)=O)C(=O)Oc2ccc(C)cc2)c1)-c1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C32H34N2O6/c1-21-9-15-26(16-10-21)40-31(37)34(19-29(35)36)18-23-7-6-8-27(17-23)38-20-28-22(2)39-30(33-28)24-11-13-25(14-12-24)32(3,4)5/h6-17H,18-20H2,1-5H3,(H,35,36)
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Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity to human His-tagged PPARgamma LBD (Q203-Y477) expressed in Escherichia coli BL21 (DE3) by fluorescence polarization assay


J Med Chem 53: 2854-64 (2010)


Article DOI: 10.1021/jm9016812
BindingDB Entry DOI: 10.7270/Q2B56JW0
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50314815
PNG
(2-((3-((2-(4-chlorophenyl)-4-methyloxazol-5-yl)met...)
Show SMILES Cc1nc(oc1COc1cccc(CN(CC(O)=O)C(=O)Oc2ccc(C)cc2)c1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C28H25ClN2O6/c1-18-6-12-23(13-7-18)36-28(34)31(16-26(32)33)15-20-4-3-5-24(14-20)35-17-25-19(2)30-27(37-25)21-8-10-22(29)11-9-21/h3-14H,15-17H2,1-2H3,(H,32,33)
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Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity to human His-tagged PPARalpha LBD (E196-Y468) expressed in Escherichia coli BL21 (DE3) by fluorescence polarization assay


J Med Chem 53: 2854-64 (2010)


Article DOI: 10.1021/jm9016812
BindingDB Entry DOI: 10.7270/Q2B56JW0
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50314829
PNG
(2-((3-((2-(4-isopropylphenyl)-5-methyloxazol-4-yl)...)
Show SMILES CC(C)c1ccc(cc1)-c1nc(COc2cccc(CN(CC(O)=O)C(=O)Oc3ccc(C)cc3)c2)c(C)o1
Show InChI InChI=1S/C31H32N2O6/c1-20(2)24-10-12-25(13-11-24)30-32-28(22(4)38-30)19-37-27-7-5-6-23(16-27)17-33(18-29(34)35)31(36)39-26-14-8-21(3)9-15-26/h5-16,20H,17-19H2,1-4H3,(H,34,35)
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Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity to human His-tagged PPARgamma LBD (Q203-Y477) expressed in Escherichia coli BL21 (DE3) by fluorescence polarization assay


J Med Chem 53: 2854-64 (2010)


Article DOI: 10.1021/jm9016812
BindingDB Entry DOI: 10.7270/Q2B56JW0
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50314819
PNG
(2-((3-((2-(3-chlorophenyl)-5-methyloxazol-4-yl)met...)
Show SMILES Cc1oc(nc1COc1cccc(CN(CC(O)=O)C(=O)Oc2ccc(C)cc2)c1)-c1cccc(Cl)c1
Show InChI InChI=1S/C28H25ClN2O6/c1-18-9-11-23(12-10-18)37-28(34)31(16-26(32)33)15-20-5-3-8-24(13-20)35-17-25-19(2)36-27(30-25)21-6-4-7-22(29)14-21/h3-14H,15-17H2,1-2H3,(H,32,33)
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Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9


J Med Chem 53: 2854-64 (2010)


Article DOI: 10.1021/jm9016812
BindingDB Entry DOI: 10.7270/Q2B56JW0
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50314830
PNG
(2-((3-((2-(4-chlorophenyl)-5-methyloxazol-4-yl)met...)
Show SMILES Cc1oc(nc1COc1cccc(CN(CC(O)=O)C(=O)OC2CCCCC2)c1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C27H29ClN2O6/c1-18-24(29-26(35-18)20-10-12-21(28)13-11-20)17-34-23-9-5-6-19(14-23)15-30(16-25(31)32)27(33)36-22-7-3-2-4-8-22/h5-6,9-14,22H,2-4,7-8,15-17H2,1H3,(H,31,32)
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Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity to human His-tagged PPARalpha LBD (E196-Y468) expressed in Escherichia coli BL21 (DE3) by fluorescence polarization assay


J Med Chem 53: 2854-64 (2010)


Article DOI: 10.1021/jm9016812
BindingDB Entry DOI: 10.7270/Q2B56JW0
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50314829
PNG
(2-((3-((2-(4-isopropylphenyl)-5-methyloxazol-4-yl)...)
Show SMILES CC(C)c1ccc(cc1)-c1nc(COc2cccc(CN(CC(O)=O)C(=O)Oc3ccc(C)cc3)c2)c(C)o1
Show InChI InChI=1S/C31H32N2O6/c1-20(2)24-10-12-25(13-11-24)30-32-28(22(4)38-30)19-37-27-7-5-6-23(16-27)17-33(18-29(34)35)31(36)39-26-14-8-21(3)9-15-26/h5-16,20H,17-19H2,1-4H3,(H,34,35)
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Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity to human His-tagged PPARalpha LBD (E196-Y468) expressed in Escherichia coli BL21 (DE3) by fluorescence polarization assay


J Med Chem 53: 2854-64 (2010)


Article DOI: 10.1021/jm9016812
BindingDB Entry DOI: 10.7270/Q2B56JW0
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50314824
PNG
(2-((3-((5-methyl-2-(4-(trifluoromethyl)phenyl)oxaz...)
Show SMILES Cc1oc(nc1COc1cccc(CN(CC(O)=O)C(=O)Oc2ccc(C)cc2)c1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C29H25F3N2O6/c1-18-6-12-23(13-7-18)40-28(37)34(16-26(35)36)15-20-4-3-5-24(14-20)38-17-25-19(2)39-27(33-25)21-8-10-22(11-9-21)29(30,31)32/h3-14H,15-17H2,1-2H3,(H,35,36)
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Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity to human His-tagged PPARalpha LBD (E196-Y468) expressed in Escherichia coli BL21 (DE3) by fluorescence polarization assay


J Med Chem 53: 2854-64 (2010)


Article DOI: 10.1021/jm9016812
BindingDB Entry DOI: 10.7270/Q2B56JW0
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50314817
PNG
(2-((3-((2-(4-chlorophenyl)-5-methylthiazol-4-yl)me...)
Show SMILES Cc1sc(nc1COc1cccc(CN(CC(O)=O)C(=O)Oc2ccc(C)cc2)c1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C28H25ClN2O5S/c1-18-6-12-23(13-7-18)36-28(34)31(16-26(32)33)15-20-4-3-5-24(14-20)35-17-25-19(2)37-27(30-25)21-8-10-22(29)11-9-21/h3-14H,15-17H2,1-2H3,(H,32,33)
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n/an/a 582n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity to human His-tagged PPARalpha LBD (E196-Y468) expressed in Escherichia coli BL21 (DE3) by fluorescence polarization assay


J Med Chem 53: 2854-64 (2010)


Article DOI: 10.1021/jm9016812
BindingDB Entry DOI: 10.7270/Q2B56JW0
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50314813
PNG
(2-((3-(2-(2-(4-chlorophenyl)-5-methyloxazol-4-yl)e...)
Show SMILES Cc1oc(nc1CCOc1cccc(CN(CC(O)=O)C(=O)Oc2ccc(C)cc2)c1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C29H27ClN2O6/c1-19-6-12-24(13-7-19)38-29(35)32(18-27(33)34)17-21-4-3-5-25(16-21)36-15-14-26-20(2)37-28(31-26)22-8-10-23(30)11-9-22/h3-13,16H,14-15,17-18H2,1-2H3,(H,33,34)
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n/an/a 610n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity to human His-tagged PPARalpha LBD (E196-Y468) expressed in Escherichia coli BL21 (DE3) by fluorescence polarization assay


J Med Chem 53: 2854-64 (2010)


Article DOI: 10.1021/jm9016812
BindingDB Entry DOI: 10.7270/Q2B56JW0
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50189566
PNG
(CHEMBL3827820)
Show SMILES COC(=O)N(CC(O)=O)[C@@H](C)c1cccc(OCc2nc(oc2C)-c2ccc(Cl)cc2)c1 |r|
Show InChI InChI=1S/C23H23ClN2O6/c1-14(26(12-21(27)28)23(29)30-3)17-5-4-6-19(11-17)31-13-20-15(2)32-22(25-20)16-7-9-18(24)10-8-16/h4-11,14H,12-13H2,1-3H3,(H,27,28)/t14-/m0/s1
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n/an/a 671n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Binding affinity to human GST-tagged PPAR-alpha LBD expressed in Escherichia coli BL21 (DE3) PlysS after 30 mins in presence of fluorescein ligand FL...


ACS Med Chem Lett 7: 590-4 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00033
BindingDB Entry DOI: 10.7270/Q2CR5W99
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50314816
PNG
(2-((3-((2-(4-chlorophenyl)-4-methylthiazol-5-yl)me...)
Show SMILES Cc1nc(sc1COc1cccc(CN(CC(O)=O)C(=O)Oc2ccc(C)cc2)c1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C28H25ClN2O5S/c1-18-6-12-23(13-7-18)36-28(34)31(16-26(32)33)15-20-4-3-5-24(14-20)35-17-25-19(2)30-27(37-25)21-8-10-22(29)11-9-21/h3-14H,15-17H2,1-2H3,(H,32,33)
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n/an/a 708n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity to human His-tagged PPARalpha LBD (E196-Y468) expressed in Escherichia coli BL21 (DE3) by fluorescence polarization assay


J Med Chem 53: 2854-64 (2010)


Article DOI: 10.1021/jm9016812
BindingDB Entry DOI: 10.7270/Q2B56JW0
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50314812
PNG
(2-((4-((2-(4-chlorophenyl)-5-methyloxazol-4-yl)met...)
Show SMILES Cc1oc(nc1COc1ccc(CN(CC(O)=O)C(=O)Oc2ccc(C)cc2)cc1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C28H25ClN2O6/c1-18-3-11-24(12-4-18)37-28(34)31(16-26(32)33)15-20-5-13-23(14-6-20)35-17-25-19(2)36-27(30-25)21-7-9-22(29)10-8-21/h3-14H,15-17H2,1-2H3,(H,32,33)
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n/an/a 811n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity to human His-tagged PPARalpha LBD (E196-Y468) expressed in Escherichia coli BL21 (DE3) by fluorescence polarization assay


J Med Chem 53: 2854-64 (2010)


Article DOI: 10.1021/jm9016812
BindingDB Entry DOI: 10.7270/Q2B56JW0
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50314822
PNG
(2-((3-((2-(4-methoxyphenyl)-5-methyloxazol-4-yl)me...)
Show SMILES COc1ccc(cc1)-c1nc(COc2cccc(CN(CC(O)=O)C(=O)Oc3ccc(C)cc3)c2)c(C)o1
Show InChI InChI=1S/C29H28N2O7/c1-19-7-11-24(12-8-19)38-29(34)31(17-27(32)33)16-21-5-4-6-25(15-21)36-18-26-20(2)37-28(30-26)22-9-13-23(35-3)14-10-22/h4-15H,16-18H2,1-3H3,(H,32,33)
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n/an/a 873n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity to human His-tagged PPARgamma LBD (Q203-Y477) expressed in Escherichia coli BL21 (DE3) by fluorescence polarization assay


J Med Chem 53: 2854-64 (2010)


Article DOI: 10.1021/jm9016812
BindingDB Entry DOI: 10.7270/Q2B56JW0
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Mus musculus (mouse))
BDBM50239482
PNG
(CHEMBL1683001)
Show SMILES Cc1cc(CCC(O)=O)cc(C)c1-c1nc2ccc(cc2[nH]1)C(=O)Nc1ccc2ccccc2n1
Show InChI InChI=1S/C28H24N4O3/c1-16-13-18(7-12-25(33)34)14-17(2)26(16)27-30-22-10-8-20(15-23(22)31-27)28(35)32-24-11-9-19-5-3-4-6-21(19)29-24/h3-6,8-11,13-15H,7,12H2,1-2H3,(H,30,31)(H,33,34)(H,29,32,35)
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n/an/a 913n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of DGTA1 in mouse C2C12 cells assessed as inhibition of triglyceride formation after 2 hrs by LC/MS/MS analysis


J Med Chem 60: 4657-4664 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00173
BindingDB Entry DOI: 10.7270/Q2B27XF2
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50314811
PNG
(2-((4-(2-(2-(4-chlorophenyl)-5-methyloxazol-4-yl)e...)
Show SMILES Cc1oc(nc1CCOc1ccc(CN(CC(O)=O)C(=O)Oc2ccc(C)cc2)cc1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C29H27ClN2O6/c1-19-3-11-25(12-4-19)38-29(35)32(18-27(33)34)17-21-5-13-24(14-6-21)36-16-15-26-20(2)37-28(31-26)22-7-9-23(30)10-8-22/h3-14H,15-18H2,1-2H3,(H,33,34)
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n/an/a 942n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity to human His-tagged PPARalpha LBD (E196-Y468) expressed in Escherichia coli BL21 (DE3) by fluorescence polarization assay


J Med Chem 53: 2854-64 (2010)


Article DOI: 10.1021/jm9016812
BindingDB Entry DOI: 10.7270/Q2B56JW0
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Mus musculus (mouse))
BDBM50239483
PNG
(CHEMBL4088335)
Show SMILES Cc1cc(CC(C)(C)C(O)=O)cc(C)c1-c1nc2ccc(cc2[nH]1)C(=O)Nc1ccc2ccccc2n1
Show InChI InChI=1S/C30H28N4O3/c1-17-13-19(16-30(3,4)29(36)37)14-18(2)26(17)27-32-23-11-9-21(15-24(23)33-27)28(35)34-25-12-10-20-7-5-6-8-22(20)31-25/h5-15H,16H2,1-4H3,(H,32,33)(H,36,37)(H,31,34,35)
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n/an/a 954n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of DGTA1 in mouse C2C12 cells assessed as inhibition of triglyceride formation after 2 hrs by LC/MS/MS analysis


J Med Chem 60: 4657-4664 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00173
BindingDB Entry DOI: 10.7270/Q2B27XF2
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50314818
PNG
(2-((3-((2-(2-chlorophenyl)-5-methyloxazol-4-yl)met...)
Show SMILES Cc1oc(nc1COc1cccc(CN(CC(O)=O)C(=O)Oc2ccc(C)cc2)c1)-c1ccccc1Cl
Show InChI InChI=1S/C28H25ClN2O6/c1-18-10-12-21(13-11-18)37-28(34)31(16-26(32)33)15-20-6-5-7-22(14-20)35-17-25-19(2)36-27(30-25)23-8-3-4-9-24(23)29/h3-14H,15-17H2,1-2H3,(H,32,33)
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n/an/a 1.04E+3n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity to human His-tagged PPARgamma LBD (Q203-Y477) expressed in Escherichia coli BL21 (DE3) by fluorescence polarization assay


J Med Chem 53: 2854-64 (2010)


Article DOI: 10.1021/jm9016812
BindingDB Entry DOI: 10.7270/Q2B56JW0
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50314828
PNG
(2-((3-((5-methyl-2-(4-morpholinophenyl)oxazol-4-yl...)
Show SMILES Cc1oc(nc1COc1cccc(CN(CC(O)=O)C(=O)Oc2ccc(C)cc2)c1)-c1ccc(cc1)N1CCOCC1
Show InChI InChI=1S/C32H33N3O7/c1-22-6-12-27(13-7-22)42-32(38)35(20-30(36)37)19-24-4-3-5-28(18-24)40-21-29-23(2)41-31(33-29)25-8-10-26(11-9-25)34-14-16-39-17-15-34/h3-13,18H,14-17,19-21H2,1-2H3,(H,36,37)
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n/an/a 1.19E+3n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity to human His-tagged PPARgamma LBD (Q203-Y477) expressed in Escherichia coli BL21 (DE3) by fluorescence polarization assay


J Med Chem 53: 2854-64 (2010)


Article DOI: 10.1021/jm9016812
BindingDB Entry DOI: 10.7270/Q2B56JW0
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50314814
PNG
(2-((3-((2-(4-chlorophenyl)-5-methyloxazol-4-yl)met...)
Show SMILES Cc1oc(nc1COc1cccc(CN(CC(O)=O)C(=O)Oc2ccc(C)cc2)c1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C28H25ClN2O6/c1-18-6-12-23(13-7-18)37-28(34)31(16-26(32)33)15-20-4-3-5-24(14-20)35-17-25-19(2)36-27(30-25)21-8-10-22(29)11-9-21/h3-14H,15-17H2,1-2H3,(H,32,33)
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n/an/a 1.20E+3n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9


J Med Chem 53: 2854-64 (2010)


Article DOI: 10.1021/jm9016812
BindingDB Entry DOI: 10.7270/Q2B56JW0
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50314826
PNG
(2-((3-((2-(4-tert-butylphenyl)-5-methyloxazol-4-yl...)
Show SMILES Cc1oc(nc1COc1cccc(CN(CC(O)=O)C(=O)Oc2ccc(C)cc2)c1)-c1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C32H34N2O6/c1-21-9-15-26(16-10-21)40-31(37)34(19-29(35)36)18-23-7-6-8-27(17-23)38-20-28-22(2)39-30(33-28)24-11-13-25(14-12-24)32(3,4)5/h6-17H,18-20H2,1-5H3,(H,35,36)
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n/an/a 1.32E+3n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity to human His-tagged PPARalpha LBD (E196-Y468) expressed in Escherichia coli BL21 (DE3) by fluorescence polarization assay


J Med Chem 53: 2854-64 (2010)


Article DOI: 10.1021/jm9016812
BindingDB Entry DOI: 10.7270/Q2B56JW0
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50189575
PNG
(CHEMBL3827335)
Show SMILES COC(=O)N(CC(O)=O)Cc1cc(F)cc(OCc2nc(oc2C)-c2ccc(Cl)cc2)c1
Show InChI InChI=1S/C22H20ClFN2O6/c1-13-19(25-21(32-13)15-3-5-16(23)6-4-15)12-31-18-8-14(7-17(24)9-18)10-26(11-20(27)28)22(29)30-2/h3-9H,10-12H2,1-2H3,(H,27,28)
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n/an/a 1.34E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Binding affinity to human GST-tagged PPAR-alpha LBD expressed in Escherichia coli BL21 (DE3) PlysS after 30 mins in presence of fluorescein ligand FL...


ACS Med Chem Lett 7: 590-4 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00033
BindingDB Entry DOI: 10.7270/Q2CR5W99
More data for this
Ligand-Target Pair
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