Found 8 hits Enz. Inhib. hit(s) with all data for entry = 50002081 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)) | BDBM28661
(2-{2-methyl-4-[({4-methyl-2-[4-(trifluoromethyl)ph...)Show SMILES Cc1nc(sc1CSc1ccc(OCC(O)=O)c(C)c1)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C21H18F3NO3S2/c1-12-9-16(7-8-17(12)28-10-19(26)27)29-11-18-13(2)25-20(30-18)14-3-5-15(6-4-14)21(22,23)24/h3-9H,10-11H2,1-2H3,(H,26,27) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL DrugBank MCE PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a |
TBA
| Assay Description Transactivation of GAL4-fused human PPARgamma LBD expressed in African green monkey CV1 cells after 24 hrs by luciferase reporter gene assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2017.11.006 BindingDB Entry DOI: 10.7270/Q25B0531 |
More data for this Ligand-Target Pair | |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM28661
(2-{2-methyl-4-[({4-methyl-2-[4-(trifluoromethyl)ph...)Show SMILES Cc1nc(sc1CSc1ccc(OCC(O)=O)c(C)c1)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C21H18F3NO3S2/c1-12-9-16(7-8-17(12)28-10-19(26)27)29-11-18-13(2)25-20(30-18)14-3-5-15(6-4-14)21(22,23)24/h3-9H,10-11H2,1-2H3,(H,26,27) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
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CHEMBL DrugBank MCE PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 7.70E+3 | n/a | n/a | n/a | n/a |
TBA
| Assay Description Transactivation of GAL4-fused human PPARalpha LBD expressed in African green monkey CV1 cells after 24 hrs by luciferase reporter gene assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2017.11.006 BindingDB Entry DOI: 10.7270/Q25B0531 |
More data for this Ligand-Target Pair | |
Peroxisome proliferator-activated receptor delta
(Mus musculus) | BDBM50192829
(CHEMBL3958704 | US10188627, Compound 8a)Show SMILES CN(Cc1ccccc1OC\C=C(/C)CCC(O)=O)C(=O)c1ccc(cc1)-c1ccco1 Show InChI InChI=1S/C26H27NO5/c1-19(9-14-25(28)29)15-17-32-24-7-4-3-6-22(24)18-27(2)26(30)21-12-10-20(11-13-21)23-8-5-16-31-23/h3-8,10-13,15-16H,9,14,17-18H2,1-2H3,(H,28,29)/b19-15+ | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD 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 | 270 | n/a | n/a | n/a | n/a |
TBA
| Assay Description Transactivation of mouse PPARdelta by cell-based luciferase reporter gene assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2017.11.006 BindingDB Entry DOI: 10.7270/Q25B0531 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50192829
(CHEMBL3958704 | US10188627, Compound 8a)Show SMILES CN(Cc1ccccc1OC\C=C(/C)CCC(O)=O)C(=O)c1ccc(cc1)-c1ccco1 Show InChI InChI=1S/C26H27NO5/c1-19(9-14-25(28)29)15-17-32-24-7-4-3-6-22(24)18-27(2)26(30)21-12-10-20(11-13-21)23-8-5-16-31-23/h3-8,10-13,15-16H,9,14,17-18H2,1-2H3,(H,28,29)/b19-15+ | 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
| Article PubMed
| n/a | n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a |
TBA
| Assay Description Transactivation of GAL4-fused human PPARgamma LBD expressed in African green monkey CV1 cells after 24 hrs by luciferase reporter gene assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2017.11.006 BindingDB Entry DOI: 10.7270/Q25B0531 |
More data for this Ligand-Target Pair | |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM50192829
(CHEMBL3958704 | US10188627, Compound 8a)Show SMILES CN(Cc1ccccc1OC\C=C(/C)CCC(O)=O)C(=O)c1ccc(cc1)-c1ccco1 Show InChI InChI=1S/C26H27NO5/c1-19(9-14-25(28)29)15-17-32-24-7-4-3-6-22(24)18-27(2)26(30)21-12-10-20(11-13-21)23-8-5-16-31-23/h3-8,10-13,15-16H,9,14,17-18H2,1-2H3,(H,28,29)/b19-15+ | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 6.10E+3 | n/a | n/a | n/a | n/a |
TBA
| Assay Description Transactivation of GAL4-fused human PPARalpha LBD expressed in African green monkey CV1 cells after 24 hrs by luciferase reporter gene assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2017.11.006 BindingDB Entry DOI: 10.7270/Q25B0531 |
More data for this Ligand-Target Pair | |
Peroxisome proliferator-activated receptor delta
(Homo sapiens (Human)) | BDBM28661
(2-{2-methyl-4-[({4-methyl-2-[4-(trifluoromethyl)ph...)Show SMILES Cc1nc(sc1CSc1ccc(OCC(O)=O)c(C)c1)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C21H18F3NO3S2/c1-12-9-16(7-8-17(12)28-10-19(26)27)29-11-18-13(2)25-20(30-18)14-3-5-15(6-4-14)21(22,23)24/h3-9H,10-11H2,1-2H3,(H,26,27) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | n/a | n/a | 2.60 | n/a | n/a | n/a | n/a |
TBA
| Assay Description Transactivation of GAL4-fused human PPARdelta LBD expressed in African green monkey CV1 cells after 24 hrs by luciferase reporter gene assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2017.11.006 BindingDB Entry DOI: 10.7270/Q25B0531 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Peroxisome proliferator-activated receptor delta
(Mus musculus) | BDBM28661
(2-{2-methyl-4-[({4-methyl-2-[4-(trifluoromethyl)ph...)Show SMILES Cc1nc(sc1CSc1ccc(OCC(O)=O)c(C)c1)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C21H18F3NO3S2/c1-12-9-16(7-8-17(12)28-10-19(26)27)29-11-18-13(2)25-20(30-18)14-3-5-15(6-4-14)21(22,23)24/h3-9H,10-11H2,1-2H3,(H,26,27) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | n/a | n/a | 70 | n/a | n/a | n/a | n/a |
TBA
| Assay Description Transactivation of mouse PPARdelta by cell-based luciferase reporter gene assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2017.11.006 BindingDB Entry DOI: 10.7270/Q25B0531 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Peroxisome proliferator-activated receptor delta
(Homo sapiens (Human)) | BDBM50192829
(CHEMBL3958704 | US10188627, Compound 8a)Show SMILES CN(Cc1ccccc1OC\C=C(/C)CCC(O)=O)C(=O)c1ccc(cc1)-c1ccco1 Show InChI InChI=1S/C26H27NO5/c1-19(9-14-25(28)29)15-17-32-24-7-4-3-6-22(24)18-27(2)26(30)21-12-10-20(11-13-21)23-8-5-16-31-23/h3-8,10-13,15-16H,9,14,17-18H2,1-2H3,(H,28,29)/b19-15+ | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | n/a | n/a | 37 | n/a | n/a | n/a | n/a |
TBA
| Assay Description Transactivation of GAL4-fused human PPARdelta LBD expressed in African green monkey CV1 cells after 24 hrs by luciferase reporter gene assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2017.11.006 BindingDB Entry DOI: 10.7270/Q25B0531 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |