Found 18 hits Enz. Inhib. hit(s) with all data for entry = 50042649 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)) | 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 | 7 | n/a | n/a | n/a | n/a | n/a |
Helmholtz Centre for Infection Research
Curated by ChEMBL
| Assay Description Binding affinity to human PPARgamma (unknown origin) by competitive TR-FRET assay |
J Med Chem 56: 1535-43 (2013)
Article DOI: 10.1021/jm3013272 BindingDB Entry DOI: 10.7270/Q2R49S4J |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50173365
(5-CHLORO-1-(4-CHLOROBENZYL)-3-(PHENYLTHIO)-1H-INDO...)Show SMILES OC(=O)c1c(Sc2ccccc2)c2cc(Cl)ccc2n1Cc1ccc(Cl)cc1 Show InChI InChI=1S/C22H15Cl2NO2S/c23-15-8-6-14(7-9-15)13-25-19-11-10-16(24)12-18(19)21(20(25)22(26)27)28-17-4-2-1-3-5-17/h1-12H,13H2,(H,26,27) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| MMDB PDB Article PubMed
| n/a | n/a | n/a | 29 | n/a | n/a | n/a | n/a | n/a |
Helmholtz Centre for Infection Research
Curated by ChEMBL
| Assay Description Binding affinity to human PPARgamma (unknown origin) by competitive TR-FRET assay |
J Med Chem 56: 1535-43 (2013)
Article DOI: 10.1021/jm3013272 BindingDB Entry DOI: 10.7270/Q2R49S4J |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50428827
(CHEMBL2337126)Show SMILES [#6]-[#6]-[#6]-[#6]-[#6]-c1cc(-[#8]-[#6])c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c1-[#6](-[#8])=O Show InChI InChI=1S/C18H26O4/c1-5-6-7-8-13-11-15(22-4)14(10-9-12(2)3)17(19)16(13)18(20)21/h9,11,19H,5-8,10H2,1-4H3,(H,20,21) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | n/a | 287 | n/a | n/a | n/a | n/a | n/a |
Helmholtz Centre for Infection Research
Curated by ChEMBL
| Assay Description Binding affinity to human PPARgamma (unknown origin) by competitive TR-FRET assay |
J Med Chem 56: 1535-43 (2013)
Article DOI: 10.1021/jm3013272 BindingDB Entry DOI: 10.7270/Q2R49S4J |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM91427
(2-hydroxy-4-methoxy-3-(3-methylbut-2-enyl)-6-(2-ph...)Show SMILES [#6]-[#8]-c1cc(-[#6]-[#6]-c2ccccc2)c(-[#6](-[#8])=O)c(-[#8])c1-[#6]\[#6]=[#6](\[#6])-[#6] Show InChI InChI=1S/C21H24O4/c1-14(2)9-12-17-18(25-3)13-16(19(20(17)22)21(23)24)11-10-15-7-5-4-6-8-15/h4-9,13,22H,10-12H2,1-3H3,(H,23,24) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | n/a | 236 | n/a | n/a | n/a | n/a | n/a |
Helmholtz Centre for Infection Research
Curated by ChEMBL
| Assay Description Binding affinity to human PPARgamma (unknown origin) by competitive TR-FRET assay |
J Med Chem 56: 1535-43 (2013)
Article DOI: 10.1021/jm3013272 BindingDB Entry DOI: 10.7270/Q2R49S4J |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
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 GoogleScholar AffyNet
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CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a |
Helmholtz Centre for Infection Research
Curated by ChEMBL
| Assay Description Binding affinity to human PPARdelta (unknown origin) by competitive TR-FRET assay |
J Med Chem 56: 1535-43 (2013)
Article DOI: 10.1021/jm3013272 BindingDB Entry DOI: 10.7270/Q2R49S4J |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Peroxisome proliferator-activated receptor delta
(Homo sapiens (Human)) | BDBM50428826
(CHEMBL2337127)Show SMILES [#6]-[#8]-c1cc(-[#6]-[#6]-c2ccccc2)c(-[#6](-[#8])=O)c(-[#8])c1-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6] Show InChI InChI=1S/C26H32O4/c1-18(2)9-8-10-19(3)13-16-22-23(30-4)17-21(24(25(22)27)26(28)29)15-14-20-11-6-5-7-12-20/h5-7,9,11-13,17,27H,8,10,14-16H2,1-4H3,(H,28,29)/b19-13+ | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | 1.80E+3 | n/a | n/a | n/a | n/a | n/a |
Helmholtz Centre for Infection Research
Curated by ChEMBL
| Assay Description Binding affinity to human PPARdelta (unknown origin) by competitive TR-FRET assay |
J Med Chem 56: 1535-43 (2013)
Article DOI: 10.1021/jm3013272 BindingDB Entry DOI: 10.7270/Q2R49S4J |
More data for this Ligand-Target Pair | |
Peroxisome proliferator-activated receptor delta
(Homo sapiens (Human)) | BDBM50428827
(CHEMBL2337126)Show SMILES [#6]-[#6]-[#6]-[#6]-[#6]-c1cc(-[#8]-[#6])c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c1-[#6](-[#8])=O Show InChI InChI=1S/C18H26O4/c1-5-6-7-8-13-11-15(22-4)14(10-9-12(2)3)17(19)16(13)18(20)21/h9,11,19H,5-8,10H2,1-4H3,(H,20,21) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | 1.70E+4 | n/a | n/a | n/a | n/a | n/a |
Helmholtz Centre for Infection Research
Curated by ChEMBL
| Assay Description Binding affinity to human PPARdelta (unknown origin) by competitive TR-FRET assay |
J Med Chem 56: 1535-43 (2013)
Article DOI: 10.1021/jm3013272 BindingDB Entry DOI: 10.7270/Q2R49S4J |
More data for this Ligand-Target Pair | |
Peroxisome proliferator-activated receptor delta
(Homo sapiens (Human)) | BDBM91427
(2-hydroxy-4-methoxy-3-(3-methylbut-2-enyl)-6-(2-ph...)Show SMILES [#6]-[#8]-c1cc(-[#6]-[#6]-c2ccccc2)c(-[#6](-[#8])=O)c(-[#8])c1-[#6]\[#6]=[#6](\[#6])-[#6] Show InChI InChI=1S/C21H24O4/c1-14(2)9-12-17-18(25-3)13-16(19(20(17)22)21(23)24)11-10-15-7-5-4-6-8-15/h4-9,13,22H,10-12H2,1-3H3,(H,23,24) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | 2.70E+4 | n/a | n/a | n/a | n/a | n/a |
Helmholtz Centre for Infection Research
Curated by ChEMBL
| Assay Description Binding affinity to human PPARdelta (unknown origin) by competitive TR-FRET assay |
J Med Chem 56: 1535-43 (2013)
Article DOI: 10.1021/jm3013272 BindingDB Entry DOI: 10.7270/Q2R49S4J |
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
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CHEMBL MCE KEGG PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a |
Helmholtz Centre for Infection Research
Curated by ChEMBL
| Assay Description Binding affinity to human PPARalpha (unknown origin) by competitive TR-FRET assay |
J Med Chem 56: 1535-43 (2013)
Article DOI: 10.1021/jm3013272 BindingDB Entry DOI: 10.7270/Q2R49S4J |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM50428826
(CHEMBL2337127)Show SMILES [#6]-[#8]-c1cc(-[#6]-[#6]-c2ccccc2)c(-[#6](-[#8])=O)c(-[#8])c1-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6] Show InChI InChI=1S/C26H32O4/c1-18(2)9-8-10-19(3)13-16-22-23(30-4)17-21(24(25(22)27)26(28)29)15-14-20-11-6-5-7-12-20/h5-7,9,11-13,17,27H,8,10,14-16H2,1-4H3,(H,28,29)/b19-13+ | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | 2.60E+3 | n/a | n/a | n/a | n/a | n/a |
Helmholtz Centre for Infection Research
Curated by ChEMBL
| Assay Description Binding affinity to human PPARalpha (unknown origin) by competitive TR-FRET assay |
J Med Chem 56: 1535-43 (2013)
Article DOI: 10.1021/jm3013272 BindingDB Entry DOI: 10.7270/Q2R49S4J |
More data for this Ligand-Target Pair | |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM50428827
(CHEMBL2337126)Show SMILES [#6]-[#6]-[#6]-[#6]-[#6]-c1cc(-[#8]-[#6])c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c1-[#6](-[#8])=O Show InChI InChI=1S/C18H26O4/c1-5-6-7-8-13-11-15(22-4)14(10-9-12(2)3)17(19)16(13)18(20)21/h9,11,19H,5-8,10H2,1-4H3,(H,20,21) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | 2.50E+4 | n/a | n/a | n/a | n/a | n/a |
Helmholtz Centre for Infection Research
Curated by ChEMBL
| Assay Description Binding affinity to human PPARalpha (unknown origin) by competitive TR-FRET assay |
J Med Chem 56: 1535-43 (2013)
Article DOI: 10.1021/jm3013272 BindingDB Entry DOI: 10.7270/Q2R49S4J |
More data for this Ligand-Target Pair | |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM91427
(2-hydroxy-4-methoxy-3-(3-methylbut-2-enyl)-6-(2-ph...)Show SMILES [#6]-[#8]-c1cc(-[#6]-[#6]-c2ccccc2)c(-[#6](-[#8])=O)c(-[#8])c1-[#6]\[#6]=[#6](\[#6])-[#6] Show InChI InChI=1S/C21H24O4/c1-14(2)9-12-17-18(25-3)13-16(19(20(17)22)21(23)24)11-10-15-7-5-4-6-8-15/h4-9,13,22H,10-12H2,1-3H3,(H,23,24) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
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PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | 2.70E+4 | n/a | n/a | n/a | n/a | n/a |
Helmholtz Centre for Infection Research
Curated by ChEMBL
| Assay Description Binding affinity to human PPARalpha (unknown origin) by competitive TR-FRET assay |
J Med Chem 56: 1535-43 (2013)
Article DOI: 10.1021/jm3013272 BindingDB Entry DOI: 10.7270/Q2R49S4J |
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 | 4 | n/a | n/a | n/a | n/a |
Helmholtz Centre for Infection Research
Curated by ChEMBL
| Assay Description Agonist at human PPARgamma LBD expressed in human HEK293 cells cotransfected with GAL4-Luc assessed as transcriptional activation by luciferase repor... |
J Med Chem 56: 1535-43 (2013)
Article DOI: 10.1021/jm3013272 BindingDB Entry DOI: 10.7270/Q2R49S4J |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50428826
(CHEMBL2337127)Show SMILES [#6]-[#8]-c1cc(-[#6]-[#6]-c2ccccc2)c(-[#6](-[#8])=O)c(-[#8])c1-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6] Show InChI InChI=1S/C26H32O4/c1-18(2)9-8-10-19(3)13-16-22-23(30-4)17-21(24(25(22)27)26(28)29)15-14-20-11-6-5-7-12-20/h5-7,9,11-13,17,27H,8,10,14-16H2,1-4H3,(H,28,29)/b19-13+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL MCE PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | n/a | n/a | 50 | n/a | n/a | n/a | n/a |
Helmholtz Centre for Infection Research
Curated by ChEMBL
| Assay Description Agonist at human PPARgamma LBD expressed in human HEK293 cells cotransfected with GAL4-Luc assessed as transcriptional activation by luciferase repor... |
J Med Chem 56: 1535-43 (2013)
Article DOI: 10.1021/jm3013272 BindingDB Entry DOI: 10.7270/Q2R49S4J |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50428827
(CHEMBL2337126)Show SMILES [#6]-[#6]-[#6]-[#6]-[#6]-c1cc(-[#8]-[#6])c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c1-[#6](-[#8])=O Show InChI InChI=1S/C18H26O4/c1-5-6-7-8-13-11-15(22-4)14(10-9-12(2)3)17(19)16(13)18(20)21/h9,11,19H,5-8,10H2,1-4H3,(H,20,21) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | n/a | n/a | 1.20E+3 | n/a | n/a | n/a | n/a |
Helmholtz Centre for Infection Research
Curated by ChEMBL
| Assay Description Agonist at human PPARgamma LBD expressed in human HEK293 cells cotransfected with GAL4-Luc assessed as transcriptional activation by luciferase repor... |
J Med Chem 56: 1535-43 (2013)
Article DOI: 10.1021/jm3013272 BindingDB Entry DOI: 10.7270/Q2R49S4J |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM91427
(2-hydroxy-4-methoxy-3-(3-methylbut-2-enyl)-6-(2-ph...)Show SMILES [#6]-[#8]-c1cc(-[#6]-[#6]-c2ccccc2)c(-[#6](-[#8])=O)c(-[#8])c1-[#6]\[#6]=[#6](\[#6])-[#6] Show InChI InChI=1S/C21H24O4/c1-14(2)9-12-17-18(25-3)13-16(19(20(17)22)21(23)24)11-10-15-7-5-4-6-8-15/h4-9,13,22H,10-12H2,1-3H3,(H,23,24) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | n/a | n/a | 458 | n/a | n/a | n/a | n/a |
Helmholtz Centre for Infection Research
Curated by ChEMBL
| Assay Description Agonist at human PPARgamma LBD expressed in human HEK293 cells cotransfected with GAL4-Luc assessed as transcriptional activation by luciferase repor... |
J Med Chem 56: 1535-43 (2013)
Article DOI: 10.1021/jm3013272 BindingDB Entry DOI: 10.7270/Q2R49S4J |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Peroxisome proliferator-activated receptor gamma
(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 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
| Article PubMed
| n/a | n/a | n/a | 180 | n/a | n/a | n/a | n/a | n/a |
Helmholtz Centre for Infection Research
Curated by ChEMBL
| Assay Description Binding affinity to human PPARgamma (unknown origin) by competitive TR-FRET assay |
J Med Chem 56: 1535-43 (2013)
Article DOI: 10.1021/jm3013272 BindingDB Entry DOI: 10.7270/Q2R49S4J |
More data for this Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50428826
(CHEMBL2337127)Show SMILES [#6]-[#8]-c1cc(-[#6]-[#6]-c2ccccc2)c(-[#6](-[#8])=O)c(-[#8])c1-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6] Show InChI InChI=1S/C26H32O4/c1-18(2)9-8-10-19(3)13-16-22-23(30-4)17-21(24(25(22)27)26(28)29)15-14-20-11-6-5-7-12-20/h5-7,9,11-13,17,27H,8,10,14-16H2,1-4H3,(H,28,29)/b19-13+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a |
Helmholtz Centre for Infection Research
Curated by ChEMBL
| Assay Description Binding affinity to human PPARgamma (unknown origin) by competitive TR-FRET assay |
J Med Chem 56: 1535-43 (2013)
Article DOI: 10.1021/jm3013272 BindingDB Entry DOI: 10.7270/Q2R49S4J |
More data for this Ligand-Target Pair | 3D Structure (crystal) |