Found 18 hits Enz. Inhib. hit(s) with Target = 'Peroxisome proliferator-activated receptor delta' and Ligand = 'BDBM50127222' 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 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
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| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Binding affinity for human PPAR delta receptor |
Bioorg Med Chem Lett 13: 1517-21 (2003)
BindingDB Entry DOI: 10.7270/Q2VQ322G |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Peroxisome proliferator-activated receptor delta
(Mus musculus) | 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 MMDB
Reactome pathway KEGG
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| n/a | n/a | n/a | n/a | 30 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Activity against murine PPAR delta receptor |
Bioorg Med Chem Lett 13: 1517-21 (2003)
BindingDB Entry DOI: 10.7270/Q2VQ322G |
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
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| n/a | n/a | n/a | n/a | 67 | n/a | n/a | n/a | n/a |
Korea University
Curated by ChEMBL
| Assay Description Activation of PPARbeta-LBD (unknown origin) assessed as fluorescein-labeled coactivator C33 recruitment by TR-FRET assay |
Bioorg Med Chem Lett 26: 3978-83 (2016)
Article DOI: 10.1016/j.bmcl.2016.07.001 BindingDB Entry DOI: 10.7270/Q2WW7KMD |
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
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| 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)) | 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
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| 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 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
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| n/a | n/a | n/a | n/a | 300 | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description Agonist activity at human PPARdelta LBD by cell based luciferase reporter gene assay |
J Med Chem 54: 788-808 (2012)
Article DOI: 10.1021/jm101063h BindingDB Entry DOI: 10.7270/Q208668Q |
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
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| n/a | n/a | n/a | n/a | 2 | n/a | n/a | n/a | n/a |
University of Oklahoma
Curated by ChEMBL
| Assay Description Agonist activity at human PPARdelta after 22 to 24 hrs by luciferase reporter gene assay |
Bioorg Med Chem Lett 28: 2717-2722 (2018)
Article DOI: 10.1016/j.bmcl.2018.03.010 BindingDB Entry DOI: 10.7270/Q24F1TCK |
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
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TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.114061 BindingDB Entry DOI: 10.7270/Q2CR5ZFX |
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
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| n/a | n/a | n/a | n/a | 13 | n/a | n/a | n/a | n/a |
Guangdong Pharmaceutical University
Curated by ChEMBL
| Assay Description Agonist activity at human GAL4 fused PPARdelta-LBD expressed in HEK293 cells after 18 hrs by luciferase reporter gene assay |
Eur J Med Chem 159: 267-276 (2018)
Article DOI: 10.1016/j.ejmech.2018.09.071 BindingDB Entry DOI: 10.7270/Q27D2XTM |
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
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| n/a | n/a | n/a | n/a | 1.90 | n/a | n/a | n/a | n/a |
University of Oklahoma
Curated by ChEMBL
| Assay Description Agonist activity at human PPARdelta expressed in nonhuman mammalian cells assessed as increase in receptor transcriptional activity incubated for 22 ... |
J Med Chem 63: 2854-2876 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01189 BindingDB Entry DOI: 10.7270/Q2H998HT |
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
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| n/a | n/a | n/a | n/a | 13 | n/a | n/a | n/a | n/a |
Guangdong Pharmaceutical University
Curated by ChEMBL
| Assay Description Transactivation of GAL4-fused human PPARdelta LBD expressed in HEK293 cells after 18 hrs by luciferase reporter gene assay |
Eur J Med Chem 164: 352-365 (2019)
Article DOI: 10.1016/j.ejmech.2018.12.069 BindingDB Entry DOI: 10.7270/Q2V1289T |
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
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| n/a | n/a | n/a | n/a | 4 | n/a | n/a | n/a | n/a |
TBA
| Assay Description Agonist activity at human PPAR-delta |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.6b01126 BindingDB Entry DOI: 10.7270/Q2DF6VVN |
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
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| n/a | n/a | n/a | n/a | 18 | n/a | n/a | n/a | n/a |
TBA
| Assay Description Agonist activity at human PPARdelta transfected in human HEK293 cells incubated for 18 hrs by Renilla/Firefly dual-luciferase reporter assay |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113807 BindingDB Entry DOI: 10.7270/Q2KW5KV0 |
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
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| n/a | n/a | n/a | n/a | 27 | n/a | n/a | n/a | n/a |
TBA
| Assay Description Agonist activity at human PPARdelta transfected in COS-7 cells assessed luciferase activity measured after 24 hrs by cell based luciferase transactiv... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00560 BindingDB Entry DOI: 10.7270/Q2Q81HXK |
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
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TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2022.116615 BindingDB Entry DOI: 10.7270/Q2DJ5KQ6 |
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
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| n/a | n/a | n/a | n/a | 3.5 | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01542 BindingDB Entry DOI: 10.7270/Q2H99983 |
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
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GlaxoSmithKline
Curated by ChEMBL
| Assay Description Maximum transcriptional activation of human PPAR delta receptor |
Bioorg Med Chem Lett 13: 1517-21 (2003)
BindingDB Entry DOI: 10.7270/Q2VQ322G |
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
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| n/a | n/a | n/a | n/a | 1 | n/a | n/a | n/a | n/a |
Guangdong Pharmaceutical University
Curated by ChEMBL
| Assay Description Agonist activity at PPARdelta (unknown origin) |
Eur J Med Chem 159: 267-276 (2018)
Article DOI: 10.1016/j.ejmech.2018.09.071 BindingDB Entry DOI: 10.7270/Q27D2XTM |
More data for this Ligand-Target Pair | 3D Structure (crystal) |