Found 16 hits Enz. Inhib. hit(s) with Target = 'Peroxisome proliferator-activated receptor gamma' and Ligand = 'BDBM24566' 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)) | BDBM24566
(2-({4-chloro-6-[(2,3-dimethylphenyl)amino]pyrimidi...)Show InChI InChI=1S/C14H14ClN3O2S/c1-8-4-3-5-10(9(8)2)16-12-6-11(15)17-14(18-12)21-7-13(19)20/h3-6H,7H2,1-2H3,(H,19,20)(H,16,17,18) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem
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Similars
| PDB Article PubMed
| n/a | n/a | 5.37E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Goethe-University Frankfurt
Curated by ChEMBL
| Assay Description Activation of human PPARgamma ligand binding domain expressed in COS7 cells by luciferase reporter gene assay |
Bioorg Med Chem Lett 24: 3757-63 (2014)
Article DOI: 10.1016/j.bmcl.2014.06.077 BindingDB Entry DOI: 10.7270/Q27W6DTR |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM24566
(2-({4-chloro-6-[(2,3-dimethylphenyl)amino]pyrimidi...)Show InChI InChI=1S/C14H14ClN3O2S/c1-8-4-3-5-10(9(8)2)16-12-6-11(15)17-14(18-12)21-7-13(19)20/h3-6H,7H2,1-2H3,(H,19,20)(H,16,17,18) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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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 | n/a | 5.40E+4 | n/a | n/a | n/a | n/a |
Goethe University Frankfurt
Curated by ChEMBL
| Assay Description Activation of human Gal4-fused PPARgamma LBD transfected in HEK293T after 14 to 16 hrs by dual-glo luciferase reporter gene assay |
J Med Chem 62: 2112-2126 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01848 BindingDB Entry DOI: 10.7270/Q2J38X18 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM24566
(2-({4-chloro-6-[(2,3-dimethylphenyl)amino]pyrimidi...)Show InChI InChI=1S/C14H14ClN3O2S/c1-8-4-3-5-10(9(8)2)16-12-6-11(15)17-14(18-12)21-7-13(19)20/h3-6H,7H2,1-2H3,(H,19,20)(H,16,17,18) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem
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| PDB PubMed
| n/a | n/a | n/a | n/a | 2.93E+4 | n/a | n/a | n/a | n/a |
Novo Nordisk A/S
Curated by ChEMBL
| Assay Description In vitro transactivation using receptor transactivation assay against hPPAR gamma |
J Med Chem 45: 789-804 (2002)
BindingDB Entry DOI: 10.7270/Q2445KSG |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM24566
(2-({4-chloro-6-[(2,3-dimethylphenyl)amino]pyrimidi...)Show InChI InChI=1S/C14H14ClN3O2S/c1-8-4-3-5-10(9(8)2)16-12-6-11(15)17-14(18-12)21-7-13(19)20/h3-6H,7H2,1-2H3,(H,19,20)(H,16,17,18) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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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 | n/a | 2.93E+4 | n/a | n/a | n/a | n/a |
Novo Nordisk A/S
Curated by ChEMBL
| Assay Description In vitro transactivation of human Peroxisome proliferator activated receptor gamma |
J Med Chem 46: 4883-94 (2003)
Article DOI: 10.1021/jm0309046 BindingDB Entry DOI: 10.7270/Q2222T5V |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM24566
(2-({4-chloro-6-[(2,3-dimethylphenyl)amino]pyrimidi...)Show InChI InChI=1S/C14H14ClN3O2S/c1-8-4-3-5-10(9(8)2)16-12-6-11(15)17-14(18-12)21-7-13(19)20/h3-6H,7H2,1-2H3,(H,19,20)(H,16,17,18) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank 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 | n/a | 5.37E+4 | n/a | n/a | n/a | n/a |
Goethe-University Frankfurt
Curated by ChEMBL
| Assay Description Agonist activity at human PPARgamma LBD expressed in COS7 cells after 12 hrs by Dual-Glo luciferase assay |
Bioorg Med Chem Lett 24: 4048-52 (2014)
Article DOI: 10.1016/j.bmcl.2014.05.058 BindingDB Entry DOI: 10.7270/Q2ZK5J9Q |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM24566
(2-({4-chloro-6-[(2,3-dimethylphenyl)amino]pyrimidi...)Show InChI InChI=1S/C14H14ClN3O2S/c1-8-4-3-5-10(9(8)2)16-12-6-11(15)17-14(18-12)21-7-13(19)20/h3-6H,7H2,1-2H3,(H,19,20)(H,16,17,18) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem
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| PDB Article PubMed
| n/a | n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a |
CNRS UMR 6052
Curated by ChEMBL
| Assay Description In vitro effective concentration against human peroxisome proliferator activated receptor gamma/Gal4 in cell-based transactivation assay |
Bioorg Med Chem Lett 15: 4421-6 (2005)
Article DOI: 10.1016/j.bmcl.2005.07.049 BindingDB Entry DOI: 10.7270/Q26Q1WS5 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM24566
(2-({4-chloro-6-[(2,3-dimethylphenyl)amino]pyrimidi...)Show InChI InChI=1S/C14H14ClN3O2S/c1-8-4-3-5-10(9(8)2)16-12-6-11(15)17-14(18-12)21-7-13(19)20/h3-6H,7H2,1-2H3,(H,19,20)(H,16,17,18) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank 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 | n/a | 2.90E+4 | n/a | n/a | n/a | n/a |
Novo Nordisk A/S
Curated by ChEMBL
| Assay Description Agonist activity at human PPARgamma by transactivation assay |
Bioorg Med Chem Lett 17: 3198-202 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.015 BindingDB Entry DOI: 10.7270/Q2154GQC |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM24566
(2-({4-chloro-6-[(2,3-dimethylphenyl)amino]pyrimidi...)Show InChI InChI=1S/C14H14ClN3O2S/c1-8-4-3-5-10(9(8)2)16-12-6-11(15)17-14(18-12)21-7-13(19)20/h3-6H,7H2,1-2H3,(H,19,20)(H,16,17,18) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank 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 | n/a | 1.60E+3 | n/a | n/a | n/a | n/a |
Università degli Studi di Bari
Curated by ChEMBL
| Assay Description Agonist activity at human PPARgamma ligand binding domain expressed in human HepG2 cells cotransfected with Gal4 by luciferase reporter gene assay |
Bioorg Med Chem 16: 9498-510 (2008)
Article DOI: 10.1016/j.bmc.2008.09.045 BindingDB Entry DOI: 10.7270/Q2CC10JC |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM24566
(2-({4-chloro-6-[(2,3-dimethylphenyl)amino]pyrimidi...)Show InChI InChI=1S/C14H14ClN3O2S/c1-8-4-3-5-10(9(8)2)16-12-6-11(15)17-14(18-12)21-7-13(19)20/h3-6H,7H2,1-2H3,(H,19,20)(H,16,17,18) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | n/a | n/a | 5.37E+4 | n/a | n/a | n/a | n/a |
Goethe-University Frankfurt
Curated by ChEMBL
| Assay Description Transactivation of human PPARgamma LBD expressed in african green monkey Cos7 cells co-transfected with fused GAL4-DBD after 14 hrs by Dual-Glo Lucif... |
Bioorg Med Chem Lett 20: 2469-73 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.008 BindingDB Entry DOI: 10.7270/Q25B02MH |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM24566
(2-({4-chloro-6-[(2,3-dimethylphenyl)amino]pyrimidi...)Show InChI InChI=1S/C14H14ClN3O2S/c1-8-4-3-5-10(9(8)2)16-12-6-11(15)17-14(18-12)21-7-13(19)20/h3-6H,7H2,1-2H3,(H,19,20)(H,16,17,18) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank 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 | n/a | n/a | 2.30 | n/a | n/a | n/a |
Universit£ degli Studi di Bari"Aldo Moro"
Curated by ChEMBL
| Assay Description Inhibition of FTase-catalyzed incorporation of [3H]- FPP radioligand into recombinant Ha-Ras by 50% at an enzyme concentration of 1 nM. |
Eur J Med Chem 127: 379-397 (2017)
Article DOI: 10.1016/j.ejmech.2016.12.047 BindingDB Entry DOI: 10.7270/Q2474D4J |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM24566
(2-({4-chloro-6-[(2,3-dimethylphenyl)amino]pyrimidi...)Show InChI InChI=1S/C14H14ClN3O2S/c1-8-4-3-5-10(9(8)2)16-12-6-11(15)17-14(18-12)21-7-13(19)20/h3-6H,7H2,1-2H3,(H,19,20)(H,16,17,18) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | n/a | 1.30E+3 | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Bari"Aldo Moro"
Curated by ChEMBL
| Assay Description Inhibition of FTase-catalyzed incorporation of [3H]- FPP radioligand into recombinant Ha-Ras by 50% at an enzyme concentration of 1 nM. |
Eur J Med Chem 127: 379-397 (2017)
Article DOI: 10.1016/j.ejmech.2016.12.047 BindingDB Entry DOI: 10.7270/Q2474D4J |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM24566
(2-({4-chloro-6-[(2,3-dimethylphenyl)amino]pyrimidi...)Show InChI InChI=1S/C14H14ClN3O2S/c1-8-4-3-5-10(9(8)2)16-12-6-11(15)17-14(18-12)21-7-13(19)20/h3-6H,7H2,1-2H3,(H,19,20)(H,16,17,18) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | n/a | n/a | 5.40E+4 | n/a | n/a | n/a | n/a |
Goethe University Frankfurt
Curated by ChEMBL
| Assay Description Activation of human Gal4-fused PPARgamma LBD transfected in HEK293T after 14 to 16 hrs by dual-glo luciferase reporter gene assay |
J Med Chem 62: 2112-2126 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01848 BindingDB Entry DOI: 10.7270/Q2J38X18 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM24566
(2-({4-chloro-6-[(2,3-dimethylphenyl)amino]pyrimidi...)Show InChI InChI=1S/C14H14ClN3O2S/c1-8-4-3-5-10(9(8)2)16-12-6-11(15)17-14(18-12)21-7-13(19)20/h3-6H,7H2,1-2H3,(H,19,20)(H,16,17,18) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank 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 | 1.34E+3 | n/a | n/a | n/a | n/a | n/a |
Goethe University Frankfurt
Curated by ChEMBL
| Assay Description Binding affinity to recombinant PPARgamma (unknown origin) by isothermal titration calorimetry |
J Med Chem 62: 2112-2126 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01848 BindingDB Entry DOI: 10.7270/Q2J38X18 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM24566
(2-({4-chloro-6-[(2,3-dimethylphenyl)amino]pyrimidi...)Show InChI InChI=1S/C14H14ClN3O2S/c1-8-4-3-5-10(9(8)2)16-12-6-11(15)17-14(18-12)21-7-13(19)20/h3-6H,7H2,1-2H3,(H,19,20)(H,16,17,18) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | n/a | 1.34E+3 | n/a | n/a | n/a | n/a | n/a |
Goethe University Frankfurt
Curated by ChEMBL
| Assay Description Binding affinity to recombinant PPARgamma (unknown origin) by isothermal titration calorimetry |
J Med Chem 62: 2112-2126 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01848 BindingDB Entry DOI: 10.7270/Q2J38X18 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM24566
(2-({4-chloro-6-[(2,3-dimethylphenyl)amino]pyrimidi...)Show InChI InChI=1S/C14H14ClN3O2S/c1-8-4-3-5-10(9(8)2)16-12-6-11(15)17-14(18-12)21-7-13(19)20/h3-6H,7H2,1-2H3,(H,19,20)(H,16,17,18) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB PubMed
| n/a | n/a | n/a | n/a | 6.00E+4 | 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) |
Peroxisome proliferator-activated receptor gamma
(Mus musculus) | BDBM24566
(2-({4-chloro-6-[(2,3-dimethylphenyl)amino]pyrimidi...)Show InChI InChI=1S/C14H14ClN3O2S/c1-8-4-3-5-10(9(8)2)16-12-6-11(15)17-14(18-12)21-7-13(19)20/h3-6H,7H2,1-2H3,(H,19,20)(H,16,17,18) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
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CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB PubMed
| n/a | n/a | n/a | n/a | 3.20E+4 | 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) |