Found 21 hits Enz. Inhib. hit(s) with all data for entry = 50040098 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)) | BDBM50389160
(CHEMBL2064741)Show SMILES Clc1cc(\[#6]=[#6]-2/[#6](=O)-[#7]-[#6](=S)-[#7]-[#6]-2=O)ccc1-[#8]-[#6]-c1ccccc1 Show InChI InChI=1S/C18H13ClN2O3S/c19-14-9-12(8-13-16(22)20-18(25)21-17(13)23)6-7-15(14)24-10-11-4-2-1-3-5-11/h1-9H,10H2,(H2,20,21,22,23,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 325 | n/a | n/a | n/a | n/a |
Trinity College
Curated by ChEMBL
| Assay Description
Binding affinity to PPARgamma LBD by fluorescence polarization based competitive binding assay |
J Med Chem 55: 4978-89 (2012)
Article DOI: 10.1021/jm300068n
BindingDB Entry DOI: 10.7270/Q2ZP4769 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50389161
(CHEMBL2064742)Show SMILES [O-][N+](=O)c1cnn(NC(=O)c2cccc(COc3ccc(Br)cc3)c2)c1 Show InChI InChI=1S/C17H13BrN4O4/c18-14-4-6-16(7-5-14)26-11-12-2-1-3-13(8-12)17(23)20-21-10-15(9-19-21)22(24)25/h1-10H,11H2,(H,20,23) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 682 | n/a | n/a | n/a | n/a |
Trinity College
Curated by ChEMBL
| Assay Description
Agonist activity at PPARgamma LBD in human 293H DA cells after 16 hrs by TR-FRET activation reporter assay |
J Med Chem 55: 4978-89 (2012)
Article DOI: 10.1021/jm300068n
BindingDB Entry DOI: 10.7270/Q2ZP4769 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50389162
(CHEMBL2064743)Show SMILES CCOC(=O)c1sc(nc1C)N1C(C(C(=O)c2cccs2)C(=O)C1=O)c1ccc(C)o1 Show InChI InChI=1S/C21H18N2O6S2/c1-4-28-20(27)18-11(3)22-21(31-18)23-15(12-8-7-10(2)29-12)14(17(25)19(23)26)16(24)13-6-5-9-30-13/h5-9,14-15H,4H2,1-3H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 2.40E+3 | n/a | n/a | n/a | n/a |
Trinity College
Curated by ChEMBL
| Assay Description
Binding affinity to PPARgamma LBD by fluorescence polarization based competitive binding assay |
J Med Chem 55: 4978-89 (2012)
Article DOI: 10.1021/jm300068n
BindingDB Entry DOI: 10.7270/Q2ZP4769 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM28681
(5-[(4-{2-[methyl(pyridin-2-yl)amino]ethoxy}phenyl)...)Show InChI InChI=1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,22H,10-12H2,1H3,(H,20,23) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | n/a | n/a | 190 | n/a | n/a | n/a | n/a |
Trinity College
Curated by ChEMBL
| Assay Description
Binding affinity to PPARgamma LBD by fluorescence polarization based competitive binding assay |
J Med Chem 55: 4978-89 (2012)
Article DOI: 10.1021/jm300068n
BindingDB Entry DOI: 10.7270/Q2ZP4769 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50085048
((S)-2-(2-Benzoyl-phenylamino)-3-{4-[2-(methyl-pyri...)Show SMILES CN(CCOc1ccc(C[C@H](Nc2ccccc2C(=O)c2ccccc2)C(O)=O)cc1)c1ccccn1 Show InChI InChI=1S/C30H29N3O4/c1-33(28-13-7-8-18-31-28)19-20-37-24-16-14-22(15-17-24)21-27(30(35)36)32-26-12-6-5-11-25(26)29(34)23-9-3-2-4-10-23/h2-18,27,32H,19-21H2,1H3,(H,35,36)/t27-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
KEGG
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | n/a | n/a | 26 | n/a | n/a | n/a | n/a |
Trinity College
Curated by ChEMBL
| Assay Description
Binding affinity to PPARgamma LBD by fluorescence polarization based competitive binding assay |
J Med Chem 55: 4978-89 (2012)
Article DOI: 10.1021/jm300068n
BindingDB Entry DOI: 10.7270/Q2ZP4769 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50389160
(CHEMBL2064741)Show SMILES Clc1cc(\[#6]=[#6]-2/[#6](=O)-[#7]-[#6](=S)-[#7]-[#6]-2=O)ccc1-[#8]-[#6]-c1ccccc1 Show InChI InChI=1S/C18H13ClN2O3S/c19-14-9-12(8-13-16(22)20-18(25)21-17(13)23)6-7-15(14)24-10-11-4-2-1-3-5-11/h1-9H,10H2,(H2,20,21,22,23,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 215 | n/a | n/a | n/a | n/a |
Trinity College
Curated by ChEMBL
| Assay Description
Displacement of pan-PPAR fluormone from PPARgamma LBD by TR-FRET based LanthaScreen assay |
J Med Chem 55: 4978-89 (2012)
Article DOI: 10.1021/jm300068n
BindingDB Entry DOI: 10.7270/Q2ZP4769 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50389161
(CHEMBL2064742)Show SMILES [O-][N+](=O)c1cnn(NC(=O)c2cccc(COc3ccc(Br)cc3)c2)c1 Show InChI InChI=1S/C17H13BrN4O4/c18-14-4-6-16(7-5-14)26-11-12-2-1-3-13(8-12)17(23)20-21-10-15(9-19-21)22(24)25/h1-10H,11H2,(H,20,23) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 5.45E+3 | n/a | n/a | n/a | n/a |
Trinity College
Curated by ChEMBL
| Assay Description
Displacement of pan-PPAR fluormone from PPARgamma LBD by TR-FRET based LanthaScreen assay |
J Med Chem 55: 4978-89 (2012)
Article DOI: 10.1021/jm300068n
BindingDB Entry DOI: 10.7270/Q2ZP4769 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50389162
(CHEMBL2064743)Show SMILES CCOC(=O)c1sc(nc1C)N1C(C(C(=O)c2cccs2)C(=O)C1=O)c1ccc(C)o1 Show InChI InChI=1S/C21H18N2O6S2/c1-4-28-20(27)18-11(3)22-21(31-18)23-15(12-8-7-10(2)29-12)14(17(25)19(23)26)16(24)13-6-5-9-30-13/h5-9,14-15H,4H2,1-3H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 2.40E+3 | n/a | n/a | n/a | n/a |
Trinity College
Curated by ChEMBL
| Assay Description
Displacement of pan-PPAR fluormone from PPARgamma LBD by TR-FRET based LanthaScreen assay |
J Med Chem 55: 4978-89 (2012)
Article DOI: 10.1021/jm300068n
BindingDB Entry DOI: 10.7270/Q2ZP4769 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM28681
(5-[(4-{2-[methyl(pyridin-2-yl)amino]ethoxy}phenyl)...)Show InChI InChI=1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,22H,10-12H2,1H3,(H,20,23) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | n/a | n/a | 120 | n/a | n/a | n/a | n/a |
Trinity College
Curated by ChEMBL
| Assay Description
Displacement of pan-PPAR fluormone from PPARgamma LBD by TR-FRET based LanthaScreen assay |
J Med Chem 55: 4978-89 (2012)
Article DOI: 10.1021/jm300068n
BindingDB Entry DOI: 10.7270/Q2ZP4769 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50085048
((S)-2-(2-Benzoyl-phenylamino)-3-{4-[2-(methyl-pyri...)Show SMILES CN(CCOc1ccc(C[C@H](Nc2ccccc2C(=O)c2ccccc2)C(O)=O)cc1)c1ccccn1 Show InChI InChI=1S/C30H29N3O4/c1-33(28-13-7-8-18-31-28)19-20-37-24-16-14-22(15-17-24)21-27(30(35)36)32-26-12-6-5-11-25(26)29(34)23-9-3-2-4-10-23/h2-18,27,32H,19-21H2,1H3,(H,35,36)/t27-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
KEGG
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | n/a | n/a | 3.70 | n/a | n/a | n/a | n/a |
Trinity College
Curated by ChEMBL
| Assay Description
Displacement of pan-PPAR fluormone from PPARgamma LBD by TR-FRET based LanthaScreen assay |
J Med Chem 55: 4978-89 (2012)
Article DOI: 10.1021/jm300068n
BindingDB Entry DOI: 10.7270/Q2ZP4769 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50389160
(CHEMBL2064741)Show SMILES Clc1cc(\[#6]=[#6]-2/[#6](=O)-[#7]-[#6](=S)-[#7]-[#6]-2=O)ccc1-[#8]-[#6]-c1ccccc1 Show InChI InChI=1S/C18H13ClN2O3S/c19-14-9-12(8-13-16(22)20-18(25)21-17(13)23)6-7-15(14)24-10-11-4-2-1-3-5-11/h1-9H,10H2,(H2,20,21,22,23,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 467 | n/a | n/a | n/a | n/a |
Trinity College
Curated by ChEMBL
| Assay Description
Agonist activity at PPARgamma LBD in human 293H DA cells after 16 hrs by TR-FRET activation reporter assay |
J Med Chem 55: 4978-89 (2012)
Article DOI: 10.1021/jm300068n
BindingDB Entry DOI: 10.7270/Q2ZP4769 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50389162
(CHEMBL2064743)Show SMILES CCOC(=O)c1sc(nc1C)N1C(C(C(=O)c2cccs2)C(=O)C1=O)c1ccc(C)o1 Show InChI InChI=1S/C21H18N2O6S2/c1-4-28-20(27)18-11(3)22-21(31-18)23-15(12-8-7-10(2)29-12)14(17(25)19(23)26)16(24)13-6-5-9-30-13/h5-9,14-15H,4H2,1-3H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 594 | n/a | n/a | n/a | n/a |
Trinity College
Curated by ChEMBL
| Assay Description
Agonist activity at PPARgamma LBD in human 293H DA cells after 16 hrs by TR-FRET activation reporter assay |
J Med Chem 55: 4978-89 (2012)
Article DOI: 10.1021/jm300068n
BindingDB Entry DOI: 10.7270/Q2ZP4769 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM28681
(5-[(4-{2-[methyl(pyridin-2-yl)amino]ethoxy}phenyl)...)Show InChI InChI=1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,22H,10-12H2,1H3,(H,20,23) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | n/a | n/a | 2.40 | n/a | n/a | n/a | n/a |
Trinity College
Curated by ChEMBL
| Assay Description
Agonist activity at PPARgamma LBD in human 293H DA cells after 16 hrs by TR-FRET activation reporter assay |
J Med Chem 55: 4978-89 (2012)
Article DOI: 10.1021/jm300068n
BindingDB Entry DOI: 10.7270/Q2ZP4769 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM50389161
(CHEMBL2064742)Show SMILES [O-][N+](=O)c1cnn(NC(=O)c2cccc(COc3ccc(Br)cc3)c2)c1 Show InChI InChI=1S/C17H13BrN4O4/c18-14-4-6-16(7-5-14)26-11-12-2-1-3-13(8-12)17(23)20-21-10-15(9-19-21)22(24)25/h1-10H,11H2,(H,20,23) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.14E+4 | n/a | n/a | n/a | n/a |
Trinity College
Curated by ChEMBL
| Assay Description
Displacement of pan-PPAR fluormone from PPARalpha LBD by TR-FRET based LanthaScreen assay |
J Med Chem 55: 4978-89 (2012)
Article DOI: 10.1021/jm300068n
BindingDB Entry DOI: 10.7270/Q2ZP4769 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM50085048
((S)-2-(2-Benzoyl-phenylamino)-3-{4-[2-(methyl-pyri...)Show SMILES CN(CCOc1ccc(C[C@H](Nc2ccccc2C(=O)c2ccccc2)C(O)=O)cc1)c1ccccn1 Show InChI InChI=1S/C30H29N3O4/c1-33(28-13-7-8-18-31-28)19-20-37-24-16-14-22(15-17-24)21-27(30(35)36)32-26-12-6-5-11-25(26)29(34)23-9-3-2-4-10-23/h2-18,27,32H,19-21H2,1H3,(H,35,36)/t27-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
KEGG
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 5.53E+4 | n/a | n/a | n/a | n/a |
Trinity College
Curated by ChEMBL
| Assay Description
Displacement of pan-PPAR fluormone from PPARalpha LBD by TR-FRET based LanthaScreen assay |
J Med Chem 55: 4978-89 (2012)
Article DOI: 10.1021/jm300068n
BindingDB Entry DOI: 10.7270/Q2ZP4769 |
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
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
KEGG
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | n/a | n/a | 1.80 | n/a | n/a | n/a | n/a |
Trinity College
Curated by ChEMBL
| Assay Description
Displacement of pan-PPAR fluormone from PPARalpha LBD by TR-FRET based LanthaScreen assay |
J Med Chem 55: 4978-89 (2012)
Article DOI: 10.1021/jm300068n
BindingDB Entry DOI: 10.7270/Q2ZP4769 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM50127222
(CHEMBL38508 | GW-0742 | {4-[2-(3-Fluoro-4-trifluor...)Show SMILES Cc1nc(sc1CSc1ccc(OCC(O)=O)c(C)c1)-c1ccc(c(F)c1)C(F)(F)F Show InChI InChI=1S/C21H17F4NO3S2/c1-11-7-14(4-6-17(11)29-9-19(27)28)30-10-18-12(2)26-20(31-18)13-3-5-15(16(22)8-13)21(23,24)25/h3-8H,9-10H2,1-2H3,(H,27,28) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 920 | n/a | n/a | n/a | n/a |
Trinity College
Curated by ChEMBL
| Assay Description
Displacement of pan-PPAR fluormone from PPARalpha LBD by TR-FRET based LanthaScreen assay |
J Med Chem 55: 4978-89 (2012)
Article DOI: 10.1021/jm300068n
BindingDB Entry DOI: 10.7270/Q2ZP4769 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor delta
(Homo sapiens (Human)) | BDBM50389161
(CHEMBL2064742)Show SMILES [O-][N+](=O)c1cnn(NC(=O)c2cccc(COc3ccc(Br)cc3)c2)c1 Show InChI InChI=1S/C17H13BrN4O4/c18-14-4-6-16(7-5-14)26-11-12-2-1-3-13(8-12)17(23)20-21-10-15(9-19-21)22(24)25/h1-10H,11H2,(H,20,23) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 2.10E+4 | n/a | n/a | n/a | n/a |
Trinity College
Curated by ChEMBL
| Assay Description
Displacement of pan-PPAR fluormone from PPARdelta LBD by TR-FRET based LanthaScreen assay |
J Med Chem 55: 4978-89 (2012)
Article DOI: 10.1021/jm300068n
BindingDB Entry DOI: 10.7270/Q2ZP4769 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor delta
(Homo sapiens (Human)) | BDBM50389162
(CHEMBL2064743)Show SMILES CCOC(=O)c1sc(nc1C)N1C(C(C(=O)c2cccs2)C(=O)C1=O)c1ccc(C)o1 Show InChI InChI=1S/C21H18N2O6S2/c1-4-28-20(27)18-11(3)22-21(31-18)23-15(12-8-7-10(2)29-12)14(17(25)19(23)26)16(24)13-6-5-9-30-13/h5-9,14-15H,4H2,1-3H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 2.60E+4 | n/a | n/a | n/a | n/a |
Trinity College
Curated by ChEMBL
| Assay Description
Displacement of pan-PPAR fluormone from PPARdelta LBD by TR-FRET based LanthaScreen assay |
J Med Chem 55: 4978-89 (2012)
Article DOI: 10.1021/jm300068n
BindingDB Entry DOI: 10.7270/Q2ZP4769 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor delta
(Homo sapiens (Human)) | BDBM50127222
(CHEMBL38508 | GW-0742 | {4-[2-(3-Fluoro-4-trifluor...)Show SMILES Cc1nc(sc1CSc1ccc(OCC(O)=O)c(C)c1)-c1ccc(c(F)c1)C(F)(F)F Show InChI InChI=1S/C21H17F4NO3S2/c1-11-7-14(4-6-17(11)29-9-19(27)28)30-10-18-12(2)26-20(31-18)13-3-5-15(16(22)8-13)21(23,24)25/h3-8H,9-10H2,1-2H3,(H,27,28) | PDB
UniProtKB/SwissProt
antibodypedia
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| Purchase
CHEMBL
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | n/a | n/a | 2.90 | n/a | n/a | n/a | n/a |
Trinity College
Curated by ChEMBL
| Assay Description
Displacement of pan-PPAR fluormone from PPARdelta LBD by TR-FRET based LanthaScreen assay |
J Med Chem 55: 4978-89 (2012)
Article DOI: 10.1021/jm300068n
BindingDB Entry DOI: 10.7270/Q2ZP4769 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50389161
(CHEMBL2064742)Show SMILES [O-][N+](=O)c1cnn(NC(=O)c2cccc(COc3ccc(Br)cc3)c2)c1 Show InChI InChI=1S/C17H13BrN4O4/c18-14-4-6-16(7-5-14)26-11-12-2-1-3-13(8-12)17(23)20-21-10-15(9-19-21)22(24)25/h1-10H,11H2,(H,20,23) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 5.45E+3 | n/a | n/a | n/a | n/a |
Trinity College
Curated by ChEMBL
| Assay Description
Binding affinity to PPARgamma LBD by fluorescence polarization based competitive binding assay |
J Med Chem 55: 4978-89 (2012)
Article DOI: 10.1021/jm300068n
BindingDB Entry DOI: 10.7270/Q2ZP4769 |
More data for this
Ligand-Target Pair | |
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