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Compile Data Set for Download or QSAR

Found 151 hits from Daiichi Sankyo Co., Ltd.   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Penicillin binding protein 2'


(Staphylococcus aureus)
BDBM50483019
PNG
(CS-023 | R-115685 | R-1558 | R-1L5685 | Ro-4908463...)
Show SMILES C[C@@H](O)[C@@H]1[C@H]2[C@@H](C)C(S[C@H]3C[C@H](N(C)C3)C(=O)N3CC[C@@H](C3)NC(=O)CNC(N)=N)=C(N2C1=O)C(O)=O
Show InChI InChI=1S/C23H35N7O6S/c1-10-17-16(11(2)31)21(34)30(17)18(22(35)36)19(10)37-13-6-14(28(3)9-13)20(33)29-5-4-12(8-29)27-15(32)7-26-23(24)25/h10-14,16-17,31H,4-9H2,1-3H3,(H,27,32)(H,35,36)(H4,24,25,26)/t10-,11-,12+,13+,14+,16-,17-/m1/s1
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n/an/a 5.39E+3n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinity to PBP2a in methicillin-resistant Staphylococcus aureus 12386-1 by [14C]benzylpenicillin labelled competitive assay


Antimicrob Agents Chemother 52: 2849-54 (2008)

More data for this
Ligand-Target Pair
Penicillin binding protein 2'


(Staphylococcus aureus)
BDBM50483019
PNG
(CS-023 | R-115685 | R-1558 | R-1L5685 | Ro-4908463...)
Show SMILES C[C@@H](O)[C@@H]1[C@H]2[C@@H](C)C(S[C@H]3C[C@H](N(C)C3)C(=O)N3CC[C@@H](C3)NC(=O)CNC(N)=N)=C(N2C1=O)C(O)=O
Show InChI InChI=1S/C23H35N7O6S/c1-10-17-16(11(2)31)21(34)30(17)18(22(35)36)19(10)37-13-6-14(28(3)9-13)20(33)29-5-4-12(8-29)27-15(32)7-26-23(24)25/h10-14,16-17,31H,4-9H2,1-3H3,(H,27,32)(H,35,36)(H4,24,25,26)/t10-,11-,12+,13+,14+,16-,17-/m1/s1
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n/an/a 9.85E+3n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinity to PBP2a in methicillin-resistant Staphylococcus aureus 123-1 by [14C]benzylpenicillin labelled competitive assay


Antimicrob Agents Chemother 52: 2849-54 (2008)

More data for this
Ligand-Target Pair
Penicillin binding protein 2'


(Staphylococcus aureus)
BDBM50129062
PNG
(CHEBI:43968 | ICI-194660 | MEROPENEM | Meropenem |...)
Show SMILES C[C@@H](O)[C@@H]1[C@H]2[C@@H](C)C(S[C@@H]3CN[C@@H](C3)C(=O)N(C)C)=C(N2C1=O)C(O)=O
Show InChI InChI=1/C17H25N3O5S/c1-7-12-11(8(2)21)16(23)20(12)13(17(24)25)14(7)26-9-5-10(18-6-9)15(22)19(3)4/h7-12,18,21H,5-6H2,1-4H3,(H,24,25)/t7-,8-,9+,10+,11-,12-/s2
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n/an/a 1.38E+5n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinity to PBP2a in methicillin-resistant Staphylococcus aureus 12386-1 by [14C]benzylpenicillin labelled competitive assay


Antimicrob Agents Chemother 52: 2849-54 (2008)

More data for this
Ligand-Target Pair
Penicillin binding protein 2'


(Staphylococcus aureus)
BDBM50213266
PNG
(CHEBI:471744 | IMIPENEM | Imipenem | MK-0787)
Show SMILES C[C@@H](O)[C@@H]1[C@H]2CC(SCCNC=N)=C(N2C1=O)C(O)=O
Show InChI InChI=1/C12H17N3O4S/c1-6(16)9-7-4-8(20-3-2-14-5-13)10(12(18)19)15(7)11(9)17/h5-7,9,16H,2-4H2,1H3,(H2,13,14)(H,18,19)/t6-,7-,9-/s2
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n/an/a 2.53E+5n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinity to PBP2a in methicillin-resistant Staphylococcus aureus 12386-1 by [14C]benzylpenicillin labelled competitive assay


Antimicrob Agents Chemother 52: 2849-54 (2008)

More data for this
Ligand-Target Pair
Penicillin binding protein 2'


(Staphylococcus aureus)
BDBM50129062
PNG
(CHEBI:43968 | ICI-194660 | MEROPENEM | Meropenem |...)
Show SMILES C[C@@H](O)[C@@H]1[C@H]2[C@@H](C)C(S[C@@H]3CN[C@@H](C3)C(=O)N(C)C)=C(N2C1=O)C(O)=O
Show InChI InChI=1/C17H25N3O5S/c1-7-12-11(8(2)21)16(23)20(12)13(17(24)25)14(7)26-9-5-10(18-6-9)15(22)19(3)4/h7-12,18,21H,5-6H2,1-4H3,(H,24,25)/t7-,8-,9+,10+,11-,12-/s2
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n/an/a 3.39E+5n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinity to PBP2a in methicillin-resistant Staphylococcus aureus 123-1 by [14C]benzylpenicillin labelled competitive assay


Antimicrob Agents Chemother 52: 2849-54 (2008)

More data for this
Ligand-Target Pair
Penicillin binding protein 2'


(Staphylococcus aureus)
BDBM50213266
PNG
(CHEBI:471744 | IMIPENEM | Imipenem | MK-0787)
Show SMILES C[C@@H](O)[C@@H]1[C@H]2CC(SCCNC=N)=C(N2C1=O)C(O)=O
Show InChI InChI=1/C12H17N3O4S/c1-6(16)9-7-4-8(20-3-2-14-5-13)10(12(18)19)15(7)11(9)17/h5-7,9,16H,2-4H2,1H3,(H2,13,14)(H,18,19)/t6-,7-,9-/s2
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n/an/a 5.67E+5n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinity to PBP2a in methicillin-resistant Staphylococcus aureus 123-1 by [14C]benzylpenicillin labelled competitive assay


Antimicrob Agents Chemother 52: 2849-54 (2008)

More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50450105
PNG
(CHEMBL4161810)
Show SMILES Cc1cccc(Oc2ccc3nc(COc4cccc(c4)C(O)=O)n(C)c3c2)n1
Show InChI InChI=1S/C22H19N3O4/c1-14-5-3-8-21(23-14)29-17-9-10-18-19(12-17)25(2)20(24-18)13-28-16-7-4-6-15(11-16)22(26)27/h3-12H,13H2,1-2H3,(H,26,27)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Daiichi Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human GAL4-DBD fused PPARalpha LBD expressed in COS7 cells after 24 hrs by luciferase reporter gene assay


Bioorg Med Chem 26: 5099-5117 (2018)

More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50450106
PNG
(CHEMBL4162863)
Show SMILES Cc1cccnc1Oc1ccc2nc(COc3cccc(c3)C(O)=O)n(C)c2c1
Show InChI InChI=1S/C22H19N3O4/c1-14-5-4-10-23-21(14)29-17-8-9-18-19(12-17)25(2)20(24-18)13-28-16-7-3-6-15(11-16)22(26)27/h3-12H,13H2,1-2H3,(H,26,27)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Daiichi Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human GAL4-DBD fused PPARalpha LBD expressed in COS7 cells after 24 hrs by luciferase reporter gene assay


Bioorg Med Chem 26: 5099-5117 (2018)

More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50450107
PNG
(CHEMBL4164828)
Show SMILES Cc1ccc(C)c(Oc2ccc3nc(COc4cccc(c4)C(O)=O)n(C)c3c2)n1
Show InChI InChI=1S/C23H21N3O4/c1-14-7-8-15(2)24-22(14)30-18-9-10-19-20(12-18)26(3)21(25-19)13-29-17-6-4-5-16(11-17)23(27)28/h4-12H,13H2,1-3H3,(H,27,28)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Daiichi Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human GAL4-DBD fused PPARalpha LBD expressed in COS7 cells after 24 hrs by luciferase reporter gene assay


Bioorg Med Chem 26: 5099-5117 (2018)

More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50450108
PNG
(CHEMBL4176941)
Show SMILES Cc1cc(F)cnc1Oc1ccc2nc(COc3cccc(c3)C(O)=O)n(C)c2c1
Show InChI InChI=1S/C22H18FN3O4/c1-13-8-15(23)11-24-21(13)30-17-6-7-18-19(10-17)26(2)20(25-18)12-29-16-5-3-4-14(9-16)22(27)28/h3-11H,12H2,1-2H3,(H,27,28)
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n/an/an/an/a 100n/an/an/an/a



Daiichi Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human GAL4-DBD fused PPARgamma LBD expressed in COS7 cells after 24 hrs by luciferase reporter gene assay


Bioorg Med Chem 26: 5099-5117 (2018)

More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50030474
PNG
(Avandamet | Avandaryl | Avandia | BRL-49653 | CHEB...)
Show SMILES CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1
Show InChI InChI=1/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 396n/an/an/an/a



Daiichi Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human GAL4-DBD fused PPARgamma LBD expressed in COS7 cells after 24 hrs by luciferase reporter gene assay


Bioorg Med Chem 26: 5099-5117 (2018)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50450109
PNG
(CHEMBL4161905)
Show SMILES Cn1c(COc2cccc(c2)C(O)=O)nc2ccc(Oc3ncccc3F)cc12
Show InChI InChI=1S/C21H16FN3O4/c1-25-18-11-15(29-20-16(22)6-3-9-23-20)7-8-17(18)24-19(25)12-28-14-5-2-4-13(10-14)21(26)27/h2-11H,12H2,1H3,(H,26,27)
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n/an/an/an/a 280n/an/an/an/a



Daiichi Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human GAL4-DBD fused PPARgamma LBD expressed in COS7 cells after 24 hrs by luciferase reporter gene assay


Bioorg Med Chem 26: 5099-5117 (2018)

More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50450110
PNG
(CHEMBL4172034)
Show SMILES Cn1c(COc2cccc(c2)C(O)=O)nc2ccc(Oc3ccc(F)cn3)cc12
Show InChI InChI=1S/C21H16FN3O4/c1-25-18-10-16(29-20-8-5-14(22)11-23-20)6-7-17(18)24-19(25)12-28-15-4-2-3-13(9-15)21(26)27/h2-11H,12H2,1H3,(H,26,27)
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n/an/an/an/a 808n/an/an/an/a



Daiichi Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human GAL4-DBD fused PPARgamma LBD expressed in COS7 cells after 24 hrs by luciferase reporter gene assay


Bioorg Med Chem 26: 5099-5117 (2018)

More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50450106
PNG
(CHEMBL4162863)
Show SMILES Cc1cccnc1Oc1ccc2nc(COc3cccc(c3)C(O)=O)n(C)c2c1
Show InChI InChI=1S/C22H19N3O4/c1-14-5-4-10-23-21(14)29-17-8-9-18-19(12-17)25(2)20(24-18)13-28-16-7-3-6-15(11-16)22(26)27/h3-12H,13H2,1-2H3,(H,26,27)
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n/an/an/an/a 351n/an/an/an/a



Daiichi Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human GAL4-DBD fused PPARgamma LBD expressed in COS7 cells after 24 hrs by luciferase reporter gene assay


Bioorg Med Chem 26: 5099-5117 (2018)

More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50450111
PNG
(CHEMBL4176938)
Show SMILES Cc1ccnc(Oc2ccc3nc(COc4cccc(c4)C(O)=O)n(C)c3c2)c1
Show InChI InChI=1S/C22H19N3O4/c1-14-8-9-23-21(10-14)29-17-6-7-18-19(12-17)25(2)20(24-18)13-28-16-5-3-4-15(11-16)22(26)27/h3-12H,13H2,1-2H3,(H,26,27)
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n/an/an/an/a 458n/an/an/an/a



Daiichi Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human GAL4-DBD fused PPARgamma LBD expressed in COS7 cells after 24 hrs by luciferase reporter gene assay


Bioorg Med Chem 26: 5099-5117 (2018)

More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50450112
PNG
(CHEMBL4165766)
Show SMILES Cc1ccc(Oc2ccc3nc(COc4cccc(c4)C(O)=O)n(C)c3c2)nc1
Show InChI InChI=1S/C22H19N3O4/c1-14-6-9-21(23-12-14)29-17-7-8-18-19(11-17)25(2)20(24-18)13-28-16-5-3-4-15(10-16)22(26)27/h3-12H,13H2,1-2H3,(H,26,27)
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n/an/an/an/a 129n/an/an/an/a



Daiichi Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human GAL4-DBD fused PPARgamma LBD expressed in COS7 cells after 24 hrs by luciferase reporter gene assay


Bioorg Med Chem 26: 5099-5117 (2018)

More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50450113
PNG
(CHEMBL4167706)
Show SMILES Cn1c(COc2cccc(c2)C(O)=O)nc2ccc(Oc3ncccc3Cl)cc12
Show InChI InChI=1S/C21H16ClN3O4/c1-25-18-11-15(29-20-16(22)6-3-9-23-20)7-8-17(18)24-19(25)12-28-14-5-2-4-13(10-14)21(26)27/h2-11H,12H2,1H3,(H,26,27)
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n/an/an/an/a 200n/an/an/an/a



Daiichi Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human GAL4-DBD fused PPARgamma LBD expressed in COS7 cells after 24 hrs by luciferase reporter gene assay


Bioorg Med Chem 26: 5099-5117 (2018)

More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50450114
PNG
(CHEMBL4168900)
Show SMILES Cn1c(COc2cccc(c2)C(O)=O)nc2ccc(Oc3cc(Cl)ccn3)cc12
Show InChI InChI=1S/C21H16ClN3O4/c1-25-18-11-16(29-20-10-14(22)7-8-23-20)5-6-17(18)24-19(25)12-28-15-4-2-3-13(9-15)21(26)27/h2-11H,12H2,1H3,(H,26,27)
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n/an/an/an/a 615n/an/an/an/a



Daiichi Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human GAL4-DBD fused PPARgamma LBD expressed in COS7 cells after 24 hrs by luciferase reporter gene assay


Bioorg Med Chem 26: 5099-5117 (2018)

More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50450115
PNG
(CHEMBL4176762)
Show SMILES Cn1c(COc2cccc(c2)C(O)=O)nc2ccc(Oc3ccc(Cl)cn3)cc12
Show InChI InChI=1S/C21H16ClN3O4/c1-25-18-10-16(29-20-8-5-14(22)11-23-20)6-7-17(18)24-19(25)12-28-15-4-2-3-13(9-15)21(26)27/h2-11H,12H2,1H3,(H,26,27)
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n/an/an/an/a 71n/an/an/an/a



Daiichi Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human GAL4-DBD fused PPARgamma LBD expressed in COS7 cells after 24 hrs by luciferase reporter gene assay


Bioorg Med Chem 26: 5099-5117 (2018)

More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50450116
PNG
(CHEMBL4159720)
Show SMILES Cn1c(COc2cccc(c2)C(O)=O)nc2ccc(Oc3ccccn3)cc12
Show InChI InChI=1S/C21H17N3O4/c1-24-18-12-16(28-20-7-2-3-10-22-20)8-9-17(18)23-19(24)13-27-15-6-4-5-14(11-15)21(25)26/h2-12H,13H2,1H3,(H,25,26)
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n/an/an/an/a 1.13E+3n/an/an/an/a



Daiichi Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human GAL4-DBD fused PPARgamma LBD expressed in COS7 cells after 24 hrs by luciferase reporter gene assay


Bioorg Med Chem 26: 5099-5117 (2018)

More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50450117
PNG
(CHEMBL4166946)
Show SMILES Cn1c(COc2cccc(c2)C(O)=O)nc2cnc(Oc3ccc4CCCc4c3)cc12
Show InChI InChI=1S/C24H21N3O4/c1-27-21-12-23(31-19-9-8-15-4-2-5-16(15)10-19)25-13-20(21)26-22(27)14-30-18-7-3-6-17(11-18)24(28)29/h3,6-13H,2,4-5,14H2,1H3,(H,28,29)
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n/an/an/an/a 20n/an/an/an/a



Daiichi Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human GAL4-DBD fused PPARgamma LBD expressed in COS7 cells after 24 hrs by luciferase reporter gene assay


Bioorg Med Chem 26: 5099-5117 (2018)

More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50450118
PNG
(CHEMBL4177154)
Show SMILES Cc1ccc(Oc2cc3n(C)c(COc4cccc(c4)C(O)=O)nc3cn2)cc1
Show InChI InChI=1S/C22H19N3O4/c1-14-6-8-16(9-7-14)29-21-11-19-18(12-23-21)24-20(25(19)2)13-28-17-5-3-4-15(10-17)22(26)27/h3-12H,13H2,1-2H3,(H,26,27)
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n/an/an/an/a 746n/an/an/an/a



Daiichi Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human GAL4-DBD fused PPARgamma LBD expressed in COS7 cells after 24 hrs by luciferase reporter gene assay


Bioorg Med Chem 26: 5099-5117 (2018)

More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50450119
PNG
(CHEMBL4167180)
Show SMILES Cn1c(COc2cccc(c2)C(O)=O)nc2cnc(Oc3ccc(Cl)c(F)c3)cc12
Show InChI InChI=1S/C21H15ClFN3O4/c1-26-18-9-20(30-14-5-6-15(22)16(23)8-14)24-10-17(18)25-19(26)11-29-13-4-2-3-12(7-13)21(27)28/h2-10H,11H2,1H3,(H,27,28)
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n/an/an/an/a 1.17E+3n/an/an/an/a



Daiichi Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human GAL4-DBD fused PPARgamma LBD expressed in COS7 cells after 24 hrs by luciferase reporter gene assay


Bioorg Med Chem 26: 5099-5117 (2018)

More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50450120
PNG
(CHEMBL4173802)
Show SMILES Cn1c(COc2cccc(c2)C(O)=O)nc2ccc(Oc3ccc4CCOc4c3)nc12
Show InChI InChI=1S/C23H19N3O5/c1-26-20(13-30-16-4-2-3-15(11-16)23(27)28)24-18-7-8-21(25-22(18)26)31-17-6-5-14-9-10-29-19(14)12-17/h2-8,11-12H,9-10,13H2,1H3,(H,27,28)
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n/an/an/an/a 94n/an/an/an/a



Daiichi Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human GAL4-DBD fused PPARgamma LBD expressed in COS7 cells after 24 hrs by luciferase reporter gene assay


Bioorg Med Chem 26: 5099-5117 (2018)

More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50450121
PNG
(CHEMBL4167767)
Show SMILES Cc1ccc(Oc2ccc3nc(COc4cccc(c4)C(O)=O)n(C)c3n2)cc1C
Show InChI InChI=1S/C23H21N3O4/c1-14-7-8-18(11-15(14)2)30-21-10-9-19-22(25-21)26(3)20(24-19)13-29-17-6-4-5-16(12-17)23(27)28/h4-12H,13H2,1-3H3,(H,27,28)
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n/an/an/an/a 90n/an/an/an/a



Daiichi Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human GAL4-DBD fused PPARgamma LBD expressed in COS7 cells after 24 hrs by luciferase reporter gene assay


Bioorg Med Chem 26: 5099-5117 (2018)

More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50450122
PNG
(CHEMBL4159849)
Show SMILES Cc1cc(C)cc(Oc2ccc3nc(COc4cccc(c4)C(O)=O)n(C)c3n2)c1
Show InChI InChI=1S/C23H21N3O4/c1-14-9-15(2)11-18(10-14)30-21-8-7-19-22(25-21)26(3)20(24-19)13-29-17-6-4-5-16(12-17)23(27)28/h4-12H,13H2,1-3H3,(H,27,28)
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n/an/an/an/a 41n/an/an/an/a



Daiichi Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human GAL4-DBD fused PPARgamma LBD expressed in COS7 cells after 24 hrs by luciferase reporter gene assay


Bioorg Med Chem 26: 5099-5117 (2018)

More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50450123
PNG
(CHEMBL4162387)
Show SMILES Cc1ccc(Oc2ccc3nc(COc4cccc(c4)C(O)=O)n(C)c3n2)c(C)c1
Show InChI InChI=1S/C23H21N3O4/c1-14-7-9-19(15(2)11-14)30-21-10-8-18-22(25-21)26(3)20(24-18)13-29-17-6-4-5-16(12-17)23(27)28/h4-12H,13H2,1-3H3,(H,27,28)
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n/an/an/an/a 101n/an/an/an/a



Daiichi Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human GAL4-DBD fused PPARgamma LBD expressed in COS7 cells after 24 hrs by luciferase reporter gene assay


Bioorg Med Chem 26: 5099-5117 (2018)

More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50450124
PNG
(CHEMBL4173064)
Show SMILES Cc1ccc(Oc2ccc3nc(COc4cccc(c4)C(O)=O)n(C)c3n2)cc1F
Show InChI InChI=1S/C22H18FN3O4/c1-13-6-7-16(11-17(13)23)30-20-9-8-18-21(25-20)26(2)19(24-18)12-29-15-5-3-4-14(10-15)22(27)28/h3-11H,12H2,1-2H3,(H,27,28)
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n/an/an/an/a 50n/an/an/an/a



Daiichi Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human GAL4-DBD fused PPARgamma LBD expressed in COS7 cells after 24 hrs by luciferase reporter gene assay


Bioorg Med Chem 26: 5099-5117 (2018)

More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50450125
PNG
(CHEMBL4165832)
Show SMILES Cc1ccc(Oc2ccc3nc(COc4cccc(c4)C(O)=O)n(C)c3n2)cc1
Show InChI InChI=1S/C22H19N3O4/c1-14-6-8-16(9-7-14)29-20-11-10-18-21(24-20)25(2)19(23-18)13-28-17-5-3-4-15(12-17)22(26)27/h3-12H,13H2,1-2H3,(H,26,27)
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n/an/an/an/a 45n/an/an/an/a



Daiichi Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human GAL4-DBD fused PPARgamma LBD expressed in COS7 cells after 24 hrs by luciferase reporter gene assay


Bioorg Med Chem 26: 5099-5117 (2018)

More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50450126
PNG
(CHEMBL4176443)
Show SMILES Cn1c(COc2cccc(c2)C(O)=O)nc2ccc(Oc3ccc(F)cc3)nc12
Show InChI InChI=1S/C21H16FN3O4/c1-25-18(12-28-16-4-2-3-13(11-16)21(26)27)23-17-9-10-19(24-20(17)25)29-15-7-5-14(22)6-8-15/h2-11H,12H2,1H3,(H,26,27)
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n/an/an/an/a 1.06E+3n/an/an/an/a



Daiichi Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human GAL4-DBD fused PPARgamma LBD expressed in COS7 cells after 24 hrs by luciferase reporter gene assay


Bioorg Med Chem 26: 5099-5117 (2018)

More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50450127
PNG
(CHEMBL4169260)
Show SMILES Cl.Cl.Cn1c(COc2cccc(c2)C(O)=O)nc2ccc(Oc3ccccc3)nc12
Show InChI InChI=1S/C21H17N3O4.2ClH/c1-24-18(13-27-16-9-5-6-14(12-16)21(25)26)22-17-10-11-19(23-20(17)24)28-15-7-3-2-4-8-15;;/h2-12H,13H2,1H3,(H,25,26);2*1H
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n/an/an/an/a 550n/an/an/an/a



Daiichi Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human GAL4-DBD fused PPARgamma LBD expressed in COS7 cells after 24 hrs by luciferase reporter gene assay


Bioorg Med Chem 26: 5099-5117 (2018)

More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50450128
PNG
(CHEMBL4161332)
Show SMILES Cn1c(COc2cccc(c2)C(O)=O)nc2ccc(Oc3ccc(Cl)c(F)c3)nc12
Show InChI InChI=1S/C21H15ClFN3O4/c1-26-18(11-29-13-4-2-3-12(9-13)21(27)28)24-17-7-8-19(25-20(17)26)30-14-5-6-15(22)16(23)10-14/h2-10H,11H2,1H3,(H,27,28)
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n/an/an/an/a 269n/an/an/an/a



Daiichi Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human GAL4-DBD fused PPARgamma LBD expressed in COS7 cells after 24 hrs by luciferase reporter gene assay


Bioorg Med Chem 26: 5099-5117 (2018)

More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50450129
PNG
(CHEMBL4166727)
Show SMILES Cl.Cl.COC(=O)c1cccc(OCc2nc3ccc(Oc4ccccc4)nc3n2C)c1
Show InChI InChI=1S/C22H19N3O4.2ClH/c1-25-19(14-28-17-10-6-7-15(13-17)22(26)27-2)23-18-11-12-20(24-21(18)25)29-16-8-4-3-5-9-16;;/h3-13H,14H2,1-2H3;2*1H
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n/an/an/an/a 1.24E+4n/an/an/an/a



Daiichi Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human GAL4-DBD fused PPARgamma LBD expressed in COS7 cells after 24 hrs by luciferase reporter gene assay


Bioorg Med Chem 26: 5099-5117 (2018)

More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50450130
PNG
(CHEMBL4164753)
Show SMILES Cn1c(COc2cccc(c2)C(O)=O)nc2ccc(Oc3ccc(Cl)c(F)c3)cc12
Show InChI InChI=1S/C22H16ClFN2O4/c1-26-20-11-16(30-15-5-7-17(23)18(24)10-15)6-8-19(20)25-21(26)12-29-14-4-2-3-13(9-14)22(27)28/h2-11H,12H2,1H3,(H,27,28)
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n/an/an/an/a 68n/an/an/an/a



Daiichi Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human GAL4-DBD fused PPARgamma LBD expressed in COS7 cells after 24 hrs by luciferase reporter gene assay


Bioorg Med Chem 26: 5099-5117 (2018)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50450131
PNG
(CHEMBL4164423)
Show SMILES Cc1cnc(Oc2ccc3nc(COc4cccc(c4)C(O)=O)n(C)c3c2)c(C)c1
Show InChI InChI=1S/C23H21N3O4/c1-14-9-15(2)22(24-12-14)30-18-7-8-19-20(11-18)26(3)21(25-19)13-29-17-6-4-5-16(10-17)23(27)28/h4-12H,13H2,1-3H3,(H,27,28)
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n/an/an/an/a 41n/an/an/an/a



Daiichi Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human GAL4-DBD fused PPARgamma LBD expressed in COS7 cells after 24 hrs by luciferase reporter gene assay


Bioorg Med Chem 26: 5099-5117 (2018)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50450132
PNG
(CHEMBL4170144)
Show SMILES Cc1ccc(Oc2ccc3nc(COc4cccc(c4)C(O)=O)n(C)c3c2)nc1C
Show InChI InChI=1S/C23H21N3O4/c1-14-7-10-22(24-15(14)2)30-18-8-9-19-20(12-18)26(3)21(25-19)13-29-17-6-4-5-16(11-17)23(27)28/h4-12H,13H2,1-3H3,(H,27,28)
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n/an/an/an/a 176n/an/an/an/a



Daiichi Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human GAL4-DBD fused PPARgamma LBD expressed in COS7 cells after 24 hrs by luciferase reporter gene assay


Bioorg Med Chem 26: 5099-5117 (2018)

More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50450107
PNG
(CHEMBL4164828)
Show SMILES Cc1ccc(C)c(Oc2ccc3nc(COc4cccc(c4)C(O)=O)n(C)c3c2)n1
Show InChI InChI=1S/C23H21N3O4/c1-14-7-8-15(2)24-22(14)30-18-9-10-19-20(12-18)26(3)21(25-19)13-29-17-6-4-5-16(11-17)23(27)28/h4-12H,13H2,1-3H3,(H,27,28)
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n/an/an/an/a 717n/an/an/an/a



Daiichi Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human GAL4-DBD fused PPARgamma LBD expressed in COS7 cells after 24 hrs by luciferase reporter gene assay


Bioorg Med Chem 26: 5099-5117 (2018)

More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50450133
PNG
(CHEMBL4175461)
Show SMILES Cc1cnc(Oc2ccc3nc(COc4cccc(c4)C(O)=O)n(C)c3c2)c(F)c1
Show InChI InChI=1S/C22H18FN3O4/c1-13-8-17(23)21(24-11-13)30-16-6-7-18-19(10-16)26(2)20(25-18)12-29-15-5-3-4-14(9-15)22(27)28/h3-11H,12H2,1-2H3,(H,27,28)
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n/an/an/an/a 43n/an/an/an/a



Daiichi Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human GAL4-DBD fused PPARgamma LBD expressed in COS7 cells after 24 hrs by luciferase reporter gene assay


Bioorg Med Chem 26: 5099-5117 (2018)

More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50450134
PNG
(CHEMBL4166323)
Show SMILES Cn1c(COc2cccc(c2)C(O)=O)nc2ccc(Oc3ncc(Cl)cc3Cl)cc12
Show InChI InChI=1S/C21H15Cl2N3O4/c1-26-18-9-15(30-20-16(23)8-13(22)10-24-20)5-6-17(18)25-19(26)11-29-14-4-2-3-12(7-14)21(27)28/h2-10H,11H2,1H3,(H,27,28)
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n/an/an/an/a 89n/an/an/an/a



Daiichi Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human GAL4-DBD fused PPARgamma LBD expressed in COS7 cells after 24 hrs by luciferase reporter gene assay


Bioorg Med Chem 26: 5099-5117 (2018)

More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50450135
PNG
(CHEMBL4175921)
Show SMILES Cn1c(COc2cccc(c2)C(O)=O)nc2ccc(Oc3ncc(Cl)cc3F)cc12
Show InChI InChI=1S/C21H15ClFN3O4/c1-26-18-9-15(30-20-16(23)8-13(22)10-24-20)5-6-17(18)25-19(26)11-29-14-4-2-3-12(7-14)21(27)28/h2-10H,11H2,1H3,(H,27,28)
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n/an/an/an/a 24n/an/an/an/a



Daiichi Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human GAL4-DBD fused PPARgamma LBD expressed in COS7 cells after 24 hrs by luciferase reporter gene assay


Bioorg Med Chem 26: 5099-5117 (2018)

More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50450136
PNG
(CHEMBL4167731)
Show SMILES Cc1cc(Cl)cnc1Oc1ccc2nc(COc3cccc(c3)C(O)=O)n(C)c2c1
Show InChI InChI=1S/C22H18ClN3O4/c1-13-8-15(23)11-24-21(13)30-17-6-7-18-19(10-17)26(2)20(25-18)12-29-16-5-3-4-14(9-16)22(27)28/h3-11H,12H2,1-2H3,(H,27,28)
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n/an/an/an/a 21n/an/an/an/a



Daiichi Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human GAL4-DBD fused PPARgamma LBD expressed in COS7 cells after 24 hrs by luciferase reporter gene assay


Bioorg Med Chem 26: 5099-5117 (2018)

More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50450105
PNG
(CHEMBL4161810)
Show SMILES Cc1cccc(Oc2ccc3nc(COc4cccc(c4)C(O)=O)n(C)c3c2)n1
Show InChI InChI=1S/C22H19N3O4/c1-14-5-3-8-21(23-14)29-17-9-10-18-19(12-17)25(2)20(24-18)13-28-16-7-4-6-15(11-16)22(26)27/h3-12H,13H2,1-2H3,(H,26,27)
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n/an/an/an/a 1.90E+3n/an/an/an/a



Daiichi Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human GAL4-DBD fused PPARgamma LBD expressed in COS7 cells after 24 hrs by luciferase reporter gene assay


Bioorg Med Chem 26: 5099-5117 (2018)

More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50450137
PNG
(CHEMBL4170351)
Show SMILES Cn1c(COc2cccc(c2)C(O)=O)nc2ccc(Oc3cccc(Cl)n3)cc12
Show InChI InChI=1S/C21H16ClN3O4/c1-25-17-11-15(29-20-7-3-6-18(22)24-20)8-9-16(17)23-19(25)12-28-14-5-2-4-13(10-14)21(26)27/h2-11H,12H2,1H3,(H,26,27)
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n/an/an/an/a 736n/an/an/an/a



Daiichi Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human GAL4-DBD fused PPARgamma LBD expressed in COS7 cells after 24 hrs by luciferase reporter gene assay


Bioorg Med Chem 26: 5099-5117 (2018)

More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50450138
PNG
(CHEMBL4174837)
Show SMILES Cn1c(COc2cccc(c2)C(O)=O)nc2cnc(Oc3ccc4CCOc4c3)cc12
Show InChI InChI=1S/C23H19N3O5/c1-26-19-11-22(31-17-6-5-14-7-8-29-20(14)10-17)24-12-18(19)25-21(26)13-30-16-4-2-3-15(9-16)23(27)28/h2-6,9-12H,7-8,13H2,1H3,(H,27,28)
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n/an/an/an/a 335n/an/an/an/a



Daiichi Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human GAL4-DBD fused PPARgamma LBD expressed in COS7 cells after 24 hrs by luciferase reporter gene assay


Bioorg Med Chem 26: 5099-5117 (2018)

More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50450139
PNG
(CHEMBL4163093)
Show SMILES Cn1c(COc2cccc(c2)C(O)=O)nc2ccc(Oc3ccc4CCCc4c3)nc12
Show InChI InChI=1S/C24H21N3O4/c1-27-21(14-30-18-7-3-6-17(13-18)24(28)29)25-20-10-11-22(26-23(20)27)31-19-9-8-15-4-2-5-16(15)12-19/h3,6-13H,2,4-5,14H2,1H3,(H,28,29)
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n/an/an/an/a 25n/an/an/an/a



Daiichi Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human GAL4-DBD fused PPARgamma LBD expressed in COS7 cells after 24 hrs by luciferase reporter gene assay


Bioorg Med Chem 26: 5099-5117 (2018)

More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50450125
PNG
(CHEMBL4165832)
Show SMILES Cc1ccc(Oc2ccc3nc(COc4cccc(c4)C(O)=O)n(C)c3n2)cc1
Show InChI InChI=1S/C22H19N3O4/c1-14-6-8-16(9-7-14)29-20-11-10-18-21(24-20)25(2)19(23-18)13-28-17-5-3-4-15(12-17)22(26)27/h3-12H,13H2,1-2H3,(H,26,27)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Daiichi Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human GAL4-DBD fused PPARalpha LBD expressed in COS7 cells after 24 hrs by luciferase reporter gene assay


Bioorg Med Chem 26: 5099-5117 (2018)

More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50450123
PNG
(CHEMBL4162387)
Show SMILES Cc1ccc(Oc2ccc3nc(COc4cccc(c4)C(O)=O)n(C)c3n2)c(C)c1
Show InChI InChI=1S/C23H21N3O4/c1-14-7-9-19(15(2)11-14)30-21-10-8-18-22(25-21)26(3)20(24-18)13-29-17-6-4-5-16(12-17)23(27)28/h4-12H,13H2,1-3H3,(H,27,28)
PDB

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GoogleScholar
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PubMed
n/an/an/an/a>1.00E+4n/an/an/an/a



Daiichi Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human GAL4-DBD fused PPARalpha LBD expressed in COS7 cells after 24 hrs by luciferase reporter gene assay


Bioorg Med Chem 26: 5099-5117 (2018)

More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50450122
PNG
(CHEMBL4159849)
Show SMILES Cc1cc(C)cc(Oc2ccc3nc(COc4cccc(c4)C(O)=O)n(C)c3n2)c1
Show InChI InChI=1S/C23H21N3O4/c1-14-9-15(2)11-18(10-14)30-21-8-7-19-22(25-21)26(3)20(24-19)13-29-17-6-4-5-16(12-17)23(27)28/h4-12H,13H2,1-3H3,(H,27,28)
PDB

UniProtKB/SwissProt
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GoogleScholar
UniChem
PubMed
n/an/an/an/a>1.00E+4n/an/an/an/a



Daiichi Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human GAL4-DBD fused PPARalpha LBD expressed in COS7 cells after 24 hrs by luciferase reporter gene assay


Bioorg Med Chem 26: 5099-5117 (2018)

More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50450121
PNG
(CHEMBL4167767)
Show SMILES Cc1ccc(Oc2ccc3nc(COc4cccc(c4)C(O)=O)n(C)c3n2)cc1C
Show InChI InChI=1S/C23H21N3O4/c1-14-7-8-18(11-15(14)2)30-21-10-9-19-22(25-21)26(3)20(24-19)13-29-17-6-4-5-16(12-17)23(27)28/h4-12H,13H2,1-3H3,(H,27,28)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
UniChem
PubMed
n/an/an/an/a>1.00E+4n/an/an/an/a



Daiichi Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human GAL4-DBD fused PPARalpha LBD expressed in COS7 cells after 24 hrs by luciferase reporter gene assay


Bioorg Med Chem 26: 5099-5117 (2018)

More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50450139
PNG
(CHEMBL4163093)
Show SMILES Cn1c(COc2cccc(c2)C(O)=O)nc2ccc(Oc3ccc4CCCc4c3)nc12
Show InChI InChI=1S/C24H21N3O4/c1-27-21(14-30-18-7-3-6-17(13-18)24(28)29)25-20-10-11-22(26-23(20)27)31-19-9-8-15-4-2-5-16(15)12-19/h3,6-13H,2,4-5,14H2,1H3,(H,28,29)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
UniChem
PubMed
n/an/an/an/a>1.00E+4n/an/an/an/a



Daiichi Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human GAL4-DBD fused PPARalpha LBD expressed in COS7 cells after 24 hrs by luciferase reporter gene assay


Bioorg Med Chem 26: 5099-5117 (2018)

More data for this
Ligand-Target Pair
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