Found 7 hits Enz. Inhib. hit(s) with Target = 'Peroxisome proliferator-activated receptor gamma' and Ligand = 'BDBM50157917' 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)) | BDBM50157917
![PNG](/data/jpeg/tenK5015/BindingDB_50157917.png) ((2S)-2-(3-{[1-(4-METHOXYBENZOYL)-2-METHYL-5-(TRIFL...)Show SMILES COc1ccc(cc1)C(=O)n1c(C)c(Cc2cccc(O[C@@H](C)C(O)=O)c2)c2cc(OC(F)(F)F)ccc12 |r| Show InChI InChI=1S/C28H24F3NO6/c1-16-23(14-18-5-4-6-21(13-18)37-17(2)27(34)35)24-15-22(38-28(29,30)31)11-12-25(24)32(16)26(33)19-7-9-20(36-3)10-8-19/h4-13,15,17H,14H2,1-3H3,(H,34,35)/t17-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL MMDB PC cid PC sid PDB UniChem
Patents
Similars
| MMDB PDB Article PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description In vitro inhibition of human Peroxisome proliferator activated receptor gamma |
Bioorg Med Chem Lett 15: 357-62 (2004)
Article DOI: 10.1016/j.bmcl.2004.10.068 BindingDB Entry DOI: 10.7270/Q27W6BNP |
More data for this Ligand-Target Pair | ![3D 3D](/images/Docked_3d.png) 3D Structure (crystal) |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50157917
![PNG](/data/jpeg/tenK5015/BindingDB_50157917.png) ((2S)-2-(3-{[1-(4-METHOXYBENZOYL)-2-METHYL-5-(TRIFL...)Show SMILES COc1ccc(cc1)C(=O)n1c(C)c(Cc2cccc(O[C@@H](C)C(O)=O)c2)c2cc(OC(F)(F)F)ccc12 |r| Show InChI InChI=1S/C28H24F3NO6/c1-16-23(14-18-5-4-6-21(13-18)37-17(2)27(34)35)24-15-22(38-28(29,30)31)11-12-25(24)32(16)26(33)19-7-9-20(36-3)10-8-19/h4-13,15,17H,14H2,1-3H3,(H,34,35)/t17-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL MMDB PC cid PC sid PDB UniChem
Patents
Similars
| MMDB PDB Article PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Displacement of [3H2]nTZD3 from human recombinant GST-fused PPARgamma expressed in Escherichia coli by scintillation proximity assay |
J Med Chem 52: 3846-54 (2009)
Article DOI: 10.1021/jm900097m BindingDB Entry DOI: 10.7270/Q2GF0TDR |
More data for this Ligand-Target Pair | ![3D 3D](/images/Docked_3d.png) 3D Structure (crystal) |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50157917
![PNG](/data/jpeg/tenK5015/BindingDB_50157917.png) ((2S)-2-(3-{[1-(4-METHOXYBENZOYL)-2-METHYL-5-(TRIFL...)Show SMILES COc1ccc(cc1)C(=O)n1c(C)c(Cc2cccc(O[C@@H](C)C(O)=O)c2)c2cc(OC(F)(F)F)ccc12 |r| Show InChI InChI=1S/C28H24F3NO6/c1-16-23(14-18-5-4-6-21(13-18)37-17(2)27(34)35)24-15-22(38-28(29,30)31)11-12-25(24)32(16)26(33)19-7-9-20(36-3)10-8-19/h4-13,15,17H,14H2,1-3H3,(H,34,35)/t17-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL MMDB PC cid PC sid PDB UniChem
Patents
Similars
| MMDB PDB Article PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human peroxisome proliferator activated receptor gamma binding |
Bioorg Med Chem Lett 15: 2437-40 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.092 BindingDB Entry DOI: 10.7270/Q2CF9PM8 |
More data for this Ligand-Target Pair | ![3D 3D](/images/Docked_3d.png) 3D Structure (crystal) |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50157917
![PNG](/data/jpeg/tenK5015/BindingDB_50157917.png) ((2S)-2-(3-{[1-(4-METHOXYBENZOYL)-2-METHYL-5-(TRIFL...)Show SMILES COc1ccc(cc1)C(=O)n1c(C)c(Cc2cccc(O[C@@H](C)C(O)=O)c2)c2cc(OC(F)(F)F)ccc12 |r| Show InChI InChI=1S/C28H24F3NO6/c1-16-23(14-18-5-4-6-21(13-18)37-17(2)27(34)35)24-15-22(38-28(29,30)31)11-12-25(24)32(16)26(33)19-7-9-20(36-3)10-8-19/h4-13,15,17H,14H2,1-3H3,(H,34,35)/t17-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL MMDB PC cid PC sid PDB UniChem
Patents
Similars
| MMDB PDB Article PubMed
| n/a | n/a | n/a | n/a | 2 | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Agonist activity at human recombinant PPARgamma expressed in COS1 cells coexpressing GAL4 assessed as transcriptional activity after 48 hrs by lucife... |
J Med Chem 52: 3846-54 (2009)
Article DOI: 10.1021/jm900097m BindingDB Entry DOI: 10.7270/Q2GF0TDR |
More data for this Ligand-Target Pair | ![3D 3D](/images/Docked_3d.png) 3D Structure (crystal) |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50157917
![PNG](/data/jpeg/tenK5015/BindingDB_50157917.png) ((2S)-2-(3-{[1-(4-METHOXYBENZOYL)-2-METHYL-5-(TRIFL...)Show SMILES COc1ccc(cc1)C(=O)n1c(C)c(Cc2cccc(O[C@@H](C)C(O)=O)c2)c2cc(OC(F)(F)F)ccc12 |r| Show InChI InChI=1S/C28H24F3NO6/c1-16-23(14-18-5-4-6-21(13-18)37-17(2)27(34)35)24-15-22(38-28(29,30)31)11-12-25(24)32(16)26(33)19-7-9-20(36-3)10-8-19/h4-13,15,17H,14H2,1-3H3,(H,34,35)/t17-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL MMDB PC cid PC sid PDB UniChem
Patents
Similars
| MMDB PDB Article PubMed
| n/a | n/a | n/a | n/a | 2 | n/a | n/a | n/a | n/a |
Universit£ Degli Studi di Bari "Aldo Moro"
Curated by ChEMBL
| Assay Description Modulation of 6His-tagged PPARgamma isoform 1 LBD (203 to 477 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) cells assessed as in... |
Eur J Med Chem 176: 326-342 (2019)
Article DOI: 10.1016/j.ejmech.2019.05.012 BindingDB Entry DOI: 10.7270/Q2HQ43BR |
More data for this Ligand-Target Pair | ![3D 3D](/images/Docked_3d.png) 3D Structure (crystal) |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50157917
![PNG](/data/jpeg/tenK5015/BindingDB_50157917.png) ((2S)-2-(3-{[1-(4-METHOXYBENZOYL)-2-METHYL-5-(TRIFL...)Show SMILES COc1ccc(cc1)C(=O)n1c(C)c(Cc2cccc(O[C@@H](C)C(O)=O)c2)c2cc(OC(F)(F)F)ccc12 |r| Show InChI InChI=1S/C28H24F3NO6/c1-16-23(14-18-5-4-6-21(13-18)37-17(2)27(34)35)24-15-22(38-28(29,30)31)11-12-25(24)32(16)26(33)19-7-9-20(36-3)10-8-19/h4-13,15,17H,14H2,1-3H3,(H,34,35)/t17-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL MMDB PC cid PC sid PDB UniChem
Patents
Similars
| MMDB PDB Article PubMed
| n/a | n/a | n/a | n/a | 1 | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Maximal intrinsic response against peroxisome proliferator activated receptor gamma transactivation |
Bioorg Med Chem Lett 15: 2437-40 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.092 BindingDB Entry DOI: 10.7270/Q2CF9PM8 |
More data for this Ligand-Target Pair | ![3D 3D](/images/Docked_3d.png) 3D Structure (crystal) |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50157917
![PNG](/data/jpeg/tenK5015/BindingDB_50157917.png) ((2S)-2-(3-{[1-(4-METHOXYBENZOYL)-2-METHYL-5-(TRIFL...)Show SMILES COc1ccc(cc1)C(=O)n1c(C)c(Cc2cccc(O[C@@H](C)C(O)=O)c2)c2cc(OC(F)(F)F)ccc12 |r| Show InChI InChI=1S/C28H24F3NO6/c1-16-23(14-18-5-4-6-21(13-18)37-17(2)27(34)35)24-15-22(38-28(29,30)31)11-12-25(24)32(16)26(33)19-7-9-20(36-3)10-8-19/h4-13,15,17H,14H2,1-3H3,(H,34,35)/t17-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL MMDB PC cid PC sid PDB UniChem
Patents
Similars
| MMDB PDB Article PubMed
| n/a | n/a | n/a | n/a | 2 | n/a | n/a | n/a | n/a |
Universitat Rovira i Virgili (URV)
Curated by ChEMBL
| Assay Description Activity at full length PPARgamma (unknown origin) transfected in 293T cells assessed as transactivation activity by UAS-luciferase reporter gene ass... |
J Med Chem 58: 5381-94 (2015)
Article DOI: 10.1021/jm501155f BindingDB Entry DOI: 10.7270/Q2K07601 |
More data for this Ligand-Target Pair | ![3D 3D](/images/Docked_3d.png) 3D Structure (crystal) |