Found 14 hits Enzyme Inhibition Constant Data 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
(274/275 > 99%)† (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
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| PDB Article PubMed
| 0.0497 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Sahmyook University
Curated by ChEMBL
| Assay Description Displacement of Fluormone-Pan-PPAR Green from human GST-tagged PPARgamma LBD by TR-FRET assay |
J Med Chem 60: 7459-7475 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00805 BindingDB Entry DOI: 10.7270/Q2XK8HQH |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Peroxisome proliferator-activated receptor gamma
(274/275 > 99%)† (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
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| 104 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Wellcome Research and Development
Curated by ChEMBL
| Assay Description In vitro binding to peroxisome proliferator activated receptor gamma (PPAR gamma) using [3H]-BRL 49653 as radioligand in scintillation proximity assa... |
J Med Chem 41: 5020-36 (1999)
Checked by Author Article DOI: 10.1021/jm9804127 BindingDB Entry DOI: 10.7270/Q20K2B28 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Peroxisome proliferator-activated receptor gamma
(274/275 > 99%)† (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
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| 8.84E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Wellcome Research and Development
Curated by ChEMBL
| Assay Description Tested for its ability to bind to Peroxisome proliferator activated receptor gamma using [3H]-BRL 49653 as radioligand in scintillation proximity ass... |
J Med Chem 41: 5020-36 (1999)
Checked by Author Article DOI: 10.1021/jm9804127 BindingDB Entry DOI: 10.7270/Q20K2B28 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Peroxisome proliferator-activated receptor gamma
(274/275 > 99%)† (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
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| 1.13E+8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Central Drug Research Institute
Curated by ChEMBL
| Assay Description Agonist activity at PPARgamma |
Eur J Med Chem 43: 73-80 (2008)
Article DOI: 10.1016/j.ejmech.2007.03.004 BindingDB Entry DOI: 10.7270/Q2XG9SCP |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Peroxisome proliferator-activated receptor gamma
(269/275 = 98%)† (Mus musculus) | 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
Reactome pathway KEGG
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| n/a | n/a | n/a | n/a | 13 | n/a | n/a | n/a | n/a |
Glaxo Wellcome Research & Development
Curated by ChEMBL
| Assay Description Agonist activity for murine PPAR gamma receptor in transcriptional activation assay |
J Med Chem 43: 527-50 (2000)
BindingDB Entry DOI: 10.7270/Q2H994DT |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Peroxisome proliferator-activated receptor gamma
(269/275 = 98%)† (Mus musculus) | 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
Reactome pathway KEGG
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| n/a | n/a | n/a | n/a | 13 | n/a | n/a | n/a | n/a |
Centre de Recherches
Curated by ChEMBL
| Assay Description Agonist activity at mouse PPARgamma expressed in african green monkey CV1 cells by Gal4 transactivation assay |
Bioorg Med Chem Lett 20: 1399-404 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.107 BindingDB Entry DOI: 10.7270/Q2T43T5R |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Peroxisome proliferator-activated receptor gamma
(274/275 > 99%)† (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
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| n/a | n/a | n/a | n/a | 6 | n/a | n/a | n/a | n/a |
Centre de Recherches
Curated by ChEMBL
| Assay Description Agonist activity at human PPARgamma expressed in african green monkey CV1 cells by Gal4 transactivation assay |
Bioorg Med Chem Lett 20: 1399-404 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.107 BindingDB Entry DOI: 10.7270/Q2T43T5R |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Peroxisome proliferator-activated receptor gamma
(274/275 > 99%)† (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
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| 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
(274/275 > 99%)† (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
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| 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
(274/275 > 99%)† (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
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| n/a | n/a | n/a | n/a | 389 | n/a | n/a | n/a | n/a |
Glaxo Wellcome Research and Development
Curated by ChEMBL
| Assay Description Activation of peroxisome proliferator activated receptor gamma measured by induction of 50% of maximum alkaline phosphatase activity, transfection as... |
J Med Chem 41: 5020-36 (1999)
Checked by Author Article DOI: 10.1021/jm9804127 BindingDB Entry DOI: 10.7270/Q20K2B28 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Peroxisome proliferator-activated receptor gamma
(269/275 = 98%)† (Mus musculus) | 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
Reactome pathway KEGG
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| PDB Article PubMed
| n/a | n/a | n/a | n/a | 13 | n/a | n/a | n/a | n/a |
Glaxo Wellcome Research and Development
Curated by ChEMBL
| Assay Description Compound was tested functionally in vitro for inducing 50% of the maximum alkaline phosphatase activity (Transactivation) against murine Peroxisome p... |
J Med Chem 41: 5020-36 (1999)
Checked by Author Article DOI: 10.1021/jm9804127 BindingDB Entry DOI: 10.7270/Q20K2B28 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Peroxisome proliferator-activated receptor gamma
(274/275 > 99%)† (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
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| n/a | n/a | n/a | n/a | 18 | n/a | n/a | n/a | n/a |
Glaxo Wellcome Research and Development
Curated by ChEMBL
| Assay Description Ability to promote differentiation of C3H10T1/2 stem cells to adipocytes using lipogenesis assay mediated through activation of Peroxisome proliferat... |
J Med Chem 41: 5020-36 (1999)
Checked by Author Article DOI: 10.1021/jm9804127 BindingDB Entry DOI: 10.7270/Q20K2B28 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Peroxisome proliferator-activated receptor gamma
(274/275 > 99%)† (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
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CHEMBL MCE KEGG PC cid PC sid PDB UniChem
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| PDB Article PubMed
| n/a | n/a | n/a | n/a | 389 | n/a | n/a | n/a | n/a |
Glaxo Wellcome Research and Development
Curated by ChEMBL
| Assay Description Activation of peroxisome proliferator activated receptor gamma measured by induction of 50% of maximum alkaline phosphatase activity, transfection as... |
J Med Chem 41: 5020-36 (1999)
Checked by Author Article DOI: 10.1021/jm9804127 BindingDB Entry DOI: 10.7270/Q20K2B28 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Peroxisome proliferator-activated receptor gamma
(274/275 > 99%)† (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
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CHEMBL MCE KEGG PC cid PC sid PDB UniChem
Patents
Similars
| PDB PubMed
| n/a | n/a | n/a | n/a | 6.20 | n/a | n/a | n/a | n/a |
Glaxo Wellcome Research & Development
Curated by ChEMBL
| Assay Description Agonist activity for Human PPAR gamma receptor in transcriptional activation assay |
J Med Chem 43: 527-50 (2000)
BindingDB Entry DOI: 10.7270/Q2H994DT |
More data for this Ligand-Target Pair | 3D Structure (crystal) |