Found 12 hits with Last Name = 'lebègue' and Initial = 'n' Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50240347
((9,12,15)-linolenic acid | (9Z,12Z,15Z)-octadeca-9...)Show InChI InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10H,2,5,8,11-17H2,1H3,(H,19,20)/b4-3-,7-6-,10-9- | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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| Purchase
CHEMBL
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MCE
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PC cid
PC sid
PDB
UniChem
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Similars
| Article
PubMed
| n/a | n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a |
Universit£ Lille-Nord de France
Curated by ChEMBL
| Assay Description
Binding affinity to PPARgamma |
J Med Chem 55: 4027-61 (2012)
Article DOI: 10.1021/jm101360s
BindingDB Entry DOI: 10.7270/Q2ST7QW1 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50270612
(15-deoxy-d12,14-prostaglandin J2 | 15-deoxy-delta1...)Show SMILES CCCCC\C=C\C=C1/[C@@H](C\C=C/CCCC(O)=O)C=CC1=O |r,c:19| Show InChI InChI=1S/C20H28O3/c1-2-3-4-5-6-10-13-18-17(15-16-19(18)21)12-9-7-8-11-14-20(22)23/h6-7,9-10,13,15-17H,2-5,8,11-12,14H2,1H3,(H,22,23)/b9-7-,10-6+,18-13+/t17-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| Purchase
CHEMBL
MCE
KEGG
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a |
Universit£ Lille-Nord de France
Curated by ChEMBL
| Assay Description
Binding affinity to PPARgamma |
J Med Chem 55: 4027-61 (2012)
Article DOI: 10.1021/jm101360s
BindingDB Entry DOI: 10.7270/Q2ST7QW1 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50389674
(CHEMBL2069934)Show InChI InChI=1S/C18H32O3/c1-2-3-11-14-17(19)15-12-9-7-5-4-6-8-10-13-16-18(20)21/h7,9,12,15,17,19H,2-6,8,10-11,13-14,16H2,1H3,(H,20,21)/b9-7-,15-12- | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a |
Universit£ Lille-Nord de France
Curated by ChEMBL
| Assay Description
Binding affinity to PPARgamma |
J Med Chem 55: 4027-61 (2012)
Article DOI: 10.1021/jm101360s
BindingDB Entry DOI: 10.7270/Q2ST7QW1 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50389675
(CHEMBL1077284)Show InChI InChI=1S/C18H32O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h6,8,11,14,17,19H,2-5,7,9-10,12-13,15-16H2,1H3,(H,20,21)/b8-6-,14-11+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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antibodypedia
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| Purchase
CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a |
Universit£ Lille-Nord de France
Curated by ChEMBL
| Assay Description
Binding affinity to PPARgamma |
J Med Chem 55: 4027-61 (2012)
Article DOI: 10.1021/jm101360s
BindingDB Entry DOI: 10.7270/Q2ST7QW1 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50242349
((5Z,8Z,11Z,14Z,17Z)-5,8,11,14,17-eicosapentaenoic ...)Show InChI InChI=1S/C20H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h3-4,6-7,9-10,12-13,15-16H,2,5,8,11,14,17-19H2,1H3,(H,21,22)/b4-3-,7-6-,10-9-,13-12-,16-15- | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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| Purchase
CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| DrugBank
Article
PubMed
| n/a | n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a |
Universit£ Lille-Nord de France
Curated by ChEMBL
| Assay Description
Binding affinity to PPARgamma |
J Med Chem 55: 4027-61 (2012)
Article DOI: 10.1021/jm101360s
BindingDB Entry DOI: 10.7270/Q2ST7QW1 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor alpha
(Rattus norvegicus) | BDBM50109110
((S)-2-(4-methoxy-3-(4-(trifluoromethyl)benzylcarba...)Show SMILES CC[C@@H](Cc1ccc(OC)c(c1)C(=O)NCc1ccc(cc1)C(F)(F)F)C(O)=O Show InChI InChI=1S/C21H22F3NO4/c1-3-15(20(27)28)10-14-6-9-18(29-2)17(11-14)19(26)25-12-13-4-7-16(8-5-13)21(22,23)24/h4-9,11,15H,3,10,12H2,1-2H3,(H,25,26)(H,27,28)/t15-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 5.20E+3 | n/a | n/a | n/a | n/a |
Universit£ Lille-Nord de France
Curated by ChEMBL
| Assay Description
Agonist activity at rat PPARalpha |
J Med Chem 55: 4027-61 (2012)
Article DOI: 10.1021/jm101360s
BindingDB Entry DOI: 10.7270/Q2ST7QW1 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM28799
(2-{[4-(2-{[(2,4-difluorophenyl)carbamoyl](heptyl)a...)Show SMILES CCCCCCCN(CCc1ccc(SC(C)(C)C(O)=O)cc1)C(=O)Nc1ccc(F)cc1F Show InChI InChI=1S/C26H34F2N2O3S/c1-4-5-6-7-8-16-30(25(33)29-23-14-11-20(27)18-22(23)28)17-15-19-9-12-21(13-10-19)34-26(2,3)24(31)32/h9-14,18H,4-8,15-17H2,1-3H3,(H,29,33)(H,31,32) | PDB
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PC cid
PC sid
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| Article
PubMed
| n/a | n/a | n/a | n/a | 6 | n/a | n/a | n/a | n/a |
Universit£ Lille-Nord de France
Curated by ChEMBL
| Assay Description
Agonist activity at human PPARalpha |
J Med Chem 55: 4027-61 (2012)
Article DOI: 10.1021/jm101360s
BindingDB Entry DOI: 10.7270/Q2ST7QW1 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM50099491
(2-(4-(2-(3-cyclohexyl-1-(4-cyclohexylbutyl)ureido)...)Show SMILES CC(C)(Sc1ccc(CCN(CCCCC2CCCCC2)C(=O)NC2CCCCC2)cc1)C(O)=O Show InChI InChI=1S/C29H46N2O3S/c1-29(2,27(32)33)35-26-18-16-24(17-19-26)20-22-31(28(34)30-25-14-7-4-8-15-25)21-10-9-13-23-11-5-3-6-12-23/h16-19,23,25H,3-15,20-22H2,1-2H3,(H,30,34)(H,32,33) | PDB
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| PDB
Article
PubMed
| n/a | n/a | n/a | n/a | 50 | n/a | n/a | n/a | n/a |
Universit£ Lille-Nord de France
Curated by ChEMBL
| Assay Description
Agonist activity at human PPARalpha |
J Med Chem 55: 4027-61 (2012)
Article DOI: 10.1021/jm101360s
BindingDB Entry DOI: 10.7270/Q2ST7QW1 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM28706
(2-methyl-2-phenoxypropanoic acid, 25a | 2-methyl-2...)Show SMILES Cc1nc(sc1C(=O)NCc1ccc(OC(C)(C)C(O)=O)cc1)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C23H21F3N2O4S/c1-13-18(33-20(28-13)15-6-8-16(9-7-15)23(24,25)26)19(29)27-12-14-4-10-17(11-5-14)32-22(2,3)21(30)31/h4-11H,12H2,1-3H3,(H,27,29)(H,30,31) | PDB
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| PDB
Article
PubMed
| n/a | n/a | n/a | n/a | 4 | n/a | n/a | n/a | n/a |
Universit£ Lille-Nord de France
Curated by ChEMBL
| Assay Description
Agonist activity at human PPARalpha |
J Med Chem 55: 4027-61 (2012)
Article DOI: 10.1021/jm101360s
BindingDB Entry DOI: 10.7270/Q2ST7QW1 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM50389676
(CHEMBL2069935)Show SMILES CC(C)(Oc1ccc(CCOc2ccc(\C=C\C(=O)c3cc(Cl)ccc3O)cc2)cc1)C(O)=O Show InChI InChI=1S/C27H25ClO6/c1-27(2,26(31)32)34-22-11-5-19(6-12-22)15-16-33-21-9-3-18(4-10-21)7-13-24(29)23-17-20(28)8-14-25(23)30/h3-14,17,30H,15-16H2,1-2H3,(H,31,32)/b13-7+ | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 60 | n/a | n/a | n/a | n/a |
Universit£ Lille-Nord de France
Curated by ChEMBL
| Assay Description
Agonist activity at PPARalpha |
J Med Chem 55: 4027-61 (2012)
Article DOI: 10.1021/jm101360s
BindingDB Entry DOI: 10.7270/Q2ST7QW1 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM50109110
((S)-2-(4-methoxy-3-(4-(trifluoromethyl)benzylcarba...)Show SMILES CC[C@@H](Cc1ccc(OC)c(c1)C(=O)NCc1ccc(cc1)C(F)(F)F)C(O)=O Show InChI InChI=1S/C21H22F3NO4/c1-3-15(20(27)28)10-14-6-9-18(29-2)17(11-14)19(26)25-12-13-4-7-16(8-5-13)21(22,23)24/h4-9,11,15H,3,10,12H2,1-2H3,(H,25,26)(H,27,28)/t15-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 60 | n/a | n/a | n/a | n/a |
Universit£ Lille-Nord de France
Curated by ChEMBL
| Assay Description
Agonist activity at human PPARalpha |
J Med Chem 55: 4027-61 (2012)
Article DOI: 10.1021/jm101360s
BindingDB Entry DOI: 10.7270/Q2ST7QW1 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM50085047
(2-(4-Chlorophenoxy)-2-methylpropanoic acid ethyl e...)Show InChI InChI=1S/C12H15ClO3/c1-4-15-11(14)12(2,3)16-10-7-5-9(13)6-8-10/h5-8H,4H2,1-3H3 | PDB
UniProtKB/SwissProt
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PC cid
PC sid
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| Article
PubMed
| n/a | n/a | n/a | n/a | 5.50E+4 | n/a | n/a | n/a | n/a |
Universit£ Lille-Nord de France
Curated by ChEMBL
| Assay Description
Agonist activity at PPARalpha |
J Med Chem 55: 4027-61 (2012)
Article DOI: 10.1021/jm101360s
BindingDB Entry DOI: 10.7270/Q2ST7QW1 |
More data for this
Ligand-Target Pair | |
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