Found 25 hits for monomerid = 28800 Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM28800
(2-{[(3-{[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-...)Show SMILES COC(=O)N(CC(O)=O)Cc1cccc(OCc2nc(oc2C)-c2ccc(Cl)cc2)c1 Show InChI InChI=1S/C22H21ClN2O6/c1-14-19(24-21(31-14)16-6-8-17(23)9-7-16)13-30-18-5-3-4-15(10-18)11-25(12-20(26)27)22(28)29-2/h3-10H,11-13H2,1-2H3,(H,26,27) | PDB
UniProtKB/SwissProt
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| n/a | n/a | 260 | n/a | 10 | n/a | n/a | 8.0 | 22 |
Bristol-Myers Squibb Company
| Assay Description For hPPAR alpha, percentage inhibition was calculated relative to unlabeled GW2331, which was used as the active site-specific competitive binder. Fl... |
J Pharmacol Exp Ther 327: 716-26 (2008)
Article DOI: 10.1124/jpet.108.143271 BindingDB Entry DOI: 10.7270/Q2VD6WT9 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM28800
(2-{[(3-{[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-...)Show SMILES COC(=O)N(CC(O)=O)Cc1cccc(OCc2nc(oc2C)-c2ccc(Cl)cc2)c1 Show InChI InChI=1S/C22H21ClN2O6/c1-14-19(24-21(31-14)16-6-8-17(23)9-7-16)13-30-18-5-3-4-15(10-18)11-25(12-20(26)27)22(28)29-2/h3-10H,11-13H2,1-2H3,(H,26,27) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| n/a | n/a | >4.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description Inhibition of human CYP3A4 |
J Med Chem 53: 2854-64 (2010)
Article DOI: 10.1021/jm9016812 BindingDB Entry DOI: 10.7270/Q2B56JW0 |
More data for this Ligand-Target Pair | |
Peroxisome proliferator-activated receptor delta
(Homo sapiens (Human)) | BDBM28800
(2-{[(3-{[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-...)Show SMILES COC(=O)N(CC(O)=O)Cc1cccc(OCc2nc(oc2C)-c2ccc(Cl)cc2)c1 Show InChI InChI=1S/C22H21ClN2O6/c1-14-19(24-21(31-14)16-6-8-17(23)9-7-16)13-30-18-5-3-4-15(10-18)11-25(12-20(26)27)22(28)29-2/h3-10H,11-13H2,1-2H3,(H,26,27) | PDB
UniProtKB/SwissProt
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| n/a | n/a | n/a | n/a | >2.50E+4 | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
| Assay Description EC50 is the concentration of test compounds needed to induce 50% of the maximum luciferase activity in HEK cells transfected with PPAR and Gal4-lucif... |
J Pharmacol Exp Ther 327: 716-26 (2008)
Article DOI: 10.1124/jpet.108.143271 BindingDB Entry DOI: 10.7270/Q2VD6WT9 |
More data for this Ligand-Target Pair | |
Peroxisome proliferator-activated receptor alpha
(Mesocricetus auratus (golden hamster)) | BDBM28800
(2-{[(3-{[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-...)Show SMILES COC(=O)N(CC(O)=O)Cc1cccc(OCc2nc(oc2C)-c2ccc(Cl)cc2)c1 Show InChI InChI=1S/C22H21ClN2O6/c1-14-19(24-21(31-14)16-6-8-17(23)9-7-16)13-30-18-5-3-4-15(10-18)11-25(12-20(26)27)22(28)29-2/h3-10H,11-13H2,1-2H3,(H,26,27) | PDB MMDB
UniProtKB/TrEMBL
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| n/a | n/a | n/a | n/a | 488 | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
| Assay Description EC50 is the concentration of test compounds needed to induce 50% of the maximum luciferase activity in HEK cells transfected with PPAR and Gal4-lucif... |
J Pharmacol Exp Ther 327: 716-26 (2008)
Article DOI: 10.1124/jpet.108.143271 BindingDB Entry DOI: 10.7270/Q2VD6WT9 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Peroxisome proliferator-activated receptor alpha
(Mus musculus) | BDBM28800
(2-{[(3-{[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-...)Show SMILES COC(=O)N(CC(O)=O)Cc1cccc(OCc2nc(oc2C)-c2ccc(Cl)cc2)c1 Show InChI InChI=1S/C22H21ClN2O6/c1-14-19(24-21(31-14)16-6-8-17(23)9-7-16)13-30-18-5-3-4-15(10-18)11-25(12-20(26)27)22(28)29-2/h3-10H,11-13H2,1-2H3,(H,26,27) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| n/a | n/a | n/a | n/a | 426 | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
| Assay Description EC50 is the concentration of test compounds needed to induce 50% of the maximum luciferase activity in HEK cells transfected with PPAR and Gal4-lucif... |
J Pharmacol Exp Ther 327: 716-26 (2008)
Article DOI: 10.1124/jpet.108.143271 BindingDB Entry DOI: 10.7270/Q2VD6WT9 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Peroxisome proliferator-activated receptor alpha
(Rattus norvegicus) | BDBM28800
(2-{[(3-{[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-...)Show SMILES COC(=O)N(CC(O)=O)Cc1cccc(OCc2nc(oc2C)-c2ccc(Cl)cc2)c1 Show InChI InChI=1S/C22H21ClN2O6/c1-14-19(24-21(31-14)16-6-8-17(23)9-7-16)13-30-18-5-3-4-15(10-18)11-25(12-20(26)27)22(28)29-2/h3-10H,11-13H2,1-2H3,(H,26,27) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| n/a | n/a | n/a | n/a | 317 | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
| Assay Description EC50 is the concentration of test compounds needed to induce 50% of the maximum luciferase activity in HEK cells transfected with PPAR and Gal4-lucif... |
J Pharmacol Exp Ther 327: 716-26 (2008)
Article DOI: 10.1124/jpet.108.143271 BindingDB Entry DOI: 10.7270/Q2VD6WT9 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Peroxisome proliferator-activated receptor alpha
(Mus musculus) | BDBM28800
(2-{[(3-{[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-...)Show SMILES COC(=O)N(CC(O)=O)Cc1cccc(OCc2nc(oc2C)-c2ccc(Cl)cc2)c1 Show InChI InChI=1S/C22H21ClN2O6/c1-14-19(24-21(31-14)16-6-8-17(23)9-7-16)13-30-18-5-3-4-15(10-18)11-25(12-20(26)27)22(28)29-2/h3-10H,11-13H2,1-2H3,(H,26,27) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| n/a | n/a | n/a | n/a | 426 | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description Agonist activity at mouse PPAR-alpha |
ACS Med Chem Lett 7: 590-4 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00033 BindingDB Entry DOI: 10.7270/Q2CR5W99 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Peroxisome proliferator-activated receptor alpha
(Rattus norvegicus) | BDBM28800
(2-{[(3-{[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-...)Show SMILES COC(=O)N(CC(O)=O)Cc1cccc(OCc2nc(oc2C)-c2ccc(Cl)cc2)c1 Show InChI InChI=1S/C22H21ClN2O6/c1-14-19(24-21(31-14)16-6-8-17(23)9-7-16)13-30-18-5-3-4-15(10-18)11-25(12-20(26)27)22(28)29-2/h3-10H,11-13H2,1-2H3,(H,26,27) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| n/a | n/a | n/a | n/a | 317 | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description Agonist activity at rat PPAR-alpha |
ACS Med Chem Lett 7: 590-4 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00033 BindingDB Entry DOI: 10.7270/Q2CR5W99 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM28800
(2-{[(3-{[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-...)Show SMILES COC(=O)N(CC(O)=O)Cc1cccc(OCc2nc(oc2C)-c2ccc(Cl)cc2)c1 Show InChI InChI=1S/C22H21ClN2O6/c1-14-19(24-21(31-14)16-6-8-17(23)9-7-16)13-30-18-5-3-4-15(10-18)11-25(12-20(26)27)22(28)29-2/h3-10H,11-13H2,1-2H3,(H,26,27) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| Article PubMed
| n/a | n/a | n/a | n/a | 4.02E+3 | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb R&D
Curated by ChEMBL
| Assay Description Agonist activity against human Gal4-fussed PPARgamma in HEK293 cells by luciferase reporter gene assay |
Bioorg Med Chem Lett 20: 2933-7 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.019 BindingDB Entry DOI: 10.7270/Q2K35TS2 |
More data for this Ligand-Target Pair | |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM28800
(2-{[(3-{[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-...)Show SMILES COC(=O)N(CC(O)=O)Cc1cccc(OCc2nc(oc2C)-c2ccc(Cl)cc2)c1 Show InChI InChI=1S/C22H21ClN2O6/c1-14-19(24-21(31-14)16-6-8-17(23)9-7-16)13-30-18-5-3-4-15(10-18)11-25(12-20(26)27)22(28)29-2/h3-10H,11-13H2,1-2H3,(H,26,27) | PDB
UniProtKB/SwissProt
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| n/a | n/a | n/a | n/a | 9.60 | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb R&D
Curated by ChEMBL
| Assay Description Agonist activity against human Gal4-fussed PPARalpha in HEK293 cells by luciferase reporter gene assay |
Bioorg Med Chem Lett 20: 2933-7 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.019 BindingDB Entry DOI: 10.7270/Q2K35TS2 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM28800
(2-{[(3-{[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-...)Show SMILES COC(=O)N(CC(O)=O)Cc1cccc(OCc2nc(oc2C)-c2ccc(Cl)cc2)c1 Show InChI InChI=1S/C22H21ClN2O6/c1-14-19(24-21(31-14)16-6-8-17(23)9-7-16)13-30-18-5-3-4-15(10-18)11-25(12-20(26)27)22(28)29-2/h3-10H,11-13H2,1-2H3,(H,26,27) | PDB
UniProtKB/SwissProt
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| PDB Article PubMed
| n/a | n/a | 260 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description Binding affinity to human His-tagged PPARalpha LBD (E196-Y468) expressed in Escherichia coli BL21 (DE3) by fluorescence polarization assay |
J Med Chem 53: 2854-64 (2010)
Article DOI: 10.1021/jm9016812 BindingDB Entry DOI: 10.7270/Q2B56JW0 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM28800
(2-{[(3-{[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-...)Show SMILES COC(=O)N(CC(O)=O)Cc1cccc(OCc2nc(oc2C)-c2ccc(Cl)cc2)c1 Show InChI InChI=1S/C22H21ClN2O6/c1-14-19(24-21(31-14)16-6-8-17(23)9-7-16)13-30-18-5-3-4-15(10-18)11-25(12-20(26)27)22(28)29-2/h3-10H,11-13H2,1-2H3,(H,26,27) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| n/a | n/a | >1.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description Binding affinity to human His-tagged PPARgamma LBD (Q203-Y477) expressed in Escherichia coli BL21 (DE3) by fluorescence polarization assay |
J Med Chem 53: 2854-64 (2010)
Article DOI: 10.1021/jm9016812 BindingDB Entry DOI: 10.7270/Q2B56JW0 |
More data for this Ligand-Target Pair | |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM28800
(2-{[(3-{[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-...)Show SMILES COC(=O)N(CC(O)=O)Cc1cccc(OCc2nc(oc2C)-c2ccc(Cl)cc2)c1 Show InChI InChI=1S/C22H21ClN2O6/c1-14-19(24-21(31-14)16-6-8-17(23)9-7-16)13-30-18-5-3-4-15(10-18)11-25(12-20(26)27)22(28)29-2/h3-10H,11-13H2,1-2H3,(H,26,27) | PDB
UniProtKB/SwissProt
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| n/a | n/a | n/a | n/a | 10 | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description Agonist activity at human PPARalpha LBD (167-468) expressed in HEK293 cells coexpressing GAL4-DBD by transactivation assay |
J Med Chem 53: 2854-64 (2010)
Article DOI: 10.1021/jm9016812 BindingDB Entry DOI: 10.7270/Q2B56JW0 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM28800
(2-{[(3-{[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-...)Show SMILES COC(=O)N(CC(O)=O)Cc1cccc(OCc2nc(oc2C)-c2ccc(Cl)cc2)c1 Show InChI InChI=1S/C22H21ClN2O6/c1-14-19(24-21(31-14)16-6-8-17(23)9-7-16)13-30-18-5-3-4-15(10-18)11-25(12-20(26)27)22(28)29-2/h3-10H,11-13H2,1-2H3,(H,26,27) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| Article PubMed
| n/a | n/a | n/a | n/a | 4.10E+3 | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description Agonist activity at human PPARgamma LBD (176-477) expressed in HEK293 cells coexpressing GAL4-DBD by transactivation assay |
J Med Chem 53: 2854-64 (2010)
Article DOI: 10.1021/jm9016812 BindingDB Entry DOI: 10.7270/Q2B56JW0 |
More data for this Ligand-Target Pair | |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM28800
(2-{[(3-{[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-...)Show SMILES COC(=O)N(CC(O)=O)Cc1cccc(OCc2nc(oc2C)-c2ccc(Cl)cc2)c1 Show InChI InChI=1S/C22H21ClN2O6/c1-14-19(24-21(31-14)16-6-8-17(23)9-7-16)13-30-18-5-3-4-15(10-18)11-25(12-20(26)27)22(28)29-2/h3-10H,11-13H2,1-2H3,(H,26,27) | PDB
UniProtKB/SwissProt
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| PDB Article PubMed
| n/a | n/a | n/a | n/a | 47 | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description Agonist activity at full length human PPARalpha expressed in HepG2 cells cotransfected with pBL-tk-luciferase by luciferase reporter gene assay |
J Med Chem 53: 2854-64 (2010)
Article DOI: 10.1021/jm9016812 BindingDB Entry DOI: 10.7270/Q2B56JW0 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM28800
(2-{[(3-{[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-...)Show SMILES COC(=O)N(CC(O)=O)Cc1cccc(OCc2nc(oc2C)-c2ccc(Cl)cc2)c1 Show InChI InChI=1S/C22H21ClN2O6/c1-14-19(24-21(31-14)16-6-8-17(23)9-7-16)13-30-18-5-3-4-15(10-18)11-25(12-20(26)27)22(28)29-2/h3-10H,11-13H2,1-2H3,(H,26,27) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| Article PubMed
| n/a | n/a | n/a | n/a | 2.40E+3 | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description Agonist activity at full length human PPARgamma expressed in HepG2 cells cotransfected with pBL-tk-luciferase by luciferase reporter gene assay |
J Med Chem 53: 2854-64 (2010)
Article DOI: 10.1021/jm9016812 BindingDB Entry DOI: 10.7270/Q2B56JW0 |
More data for this Ligand-Target Pair | |
Peroxisome proliferator-activated receptor alpha
(Mus musculus) | BDBM28800
(2-{[(3-{[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-...)Show SMILES COC(=O)N(CC(O)=O)Cc1cccc(OCc2nc(oc2C)-c2ccc(Cl)cc2)c1 Show InChI InChI=1S/C22H21ClN2O6/c1-14-19(24-21(31-14)16-6-8-17(23)9-7-16)13-30-18-5-3-4-15(10-18)11-25(12-20(26)27)22(28)29-2/h3-10H,11-13H2,1-2H3,(H,26,27) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| MMDB PDB Article PubMed
| n/a | n/a | n/a | n/a | 426 | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description Agonist activity at mouse PPARalpha LBD (167-469) expressed in HEK293 cells coexpressing GAL4-DBD by transactivation assay |
J Med Chem 53: 2854-64 (2010)
Article DOI: 10.1021/jm9016812 BindingDB Entry DOI: 10.7270/Q2B56JW0 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Peroxisome proliferator-activated receptor alpha
(Mesocricetus auratus (golden hamster)) | BDBM28800
(2-{[(3-{[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-...)Show SMILES COC(=O)N(CC(O)=O)Cc1cccc(OCc2nc(oc2C)-c2ccc(Cl)cc2)c1 Show InChI InChI=1S/C22H21ClN2O6/c1-14-19(24-21(31-14)16-6-8-17(23)9-7-16)13-30-18-5-3-4-15(10-18)11-25(12-20(26)27)22(28)29-2/h3-10H,11-13H2,1-2H3,(H,26,27) | PDB MMDB
UniProtKB/TrEMBL
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| MMDB PDB Article PubMed
| n/a | n/a | n/a | n/a | 488 | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description Agonist activity at syrian golden hamster PPARalpha LBD (167-468) expressed in HEK293 cells coexpressing GAL4-DBD by transactivation assay |
J Med Chem 53: 2854-64 (2010)
Article DOI: 10.1021/jm9016812 BindingDB Entry DOI: 10.7270/Q2B56JW0 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Peroxisome proliferator-activated receptor delta
(Homo sapiens (Human)) | BDBM28800
(2-{[(3-{[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-...)Show SMILES COC(=O)N(CC(O)=O)Cc1cccc(OCc2nc(oc2C)-c2ccc(Cl)cc2)c1 Show InChI InChI=1S/C22H21ClN2O6/c1-14-19(24-21(31-14)16-6-8-17(23)9-7-16)13-30-18-5-3-4-15(10-18)11-25(12-20(26)27)22(28)29-2/h3-10H,11-13H2,1-2H3,(H,26,27) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
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| n/a | n/a | n/a | n/a | >2.50E+4 | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description Agonist activity at human PPARdelta by transactivation assay |
J Med Chem 53: 2854-64 (2010)
Article DOI: 10.1021/jm9016812 BindingDB Entry DOI: 10.7270/Q2B56JW0 |
More data for this Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM28800
(2-{[(3-{[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-...)Show SMILES COC(=O)N(CC(O)=O)Cc1cccc(OCc2nc(oc2C)-c2ccc(Cl)cc2)c1 Show InChI InChI=1S/C22H21ClN2O6/c1-14-19(24-21(31-14)16-6-8-17(23)9-7-16)13-30-18-5-3-4-15(10-18)11-25(12-20(26)27)22(28)29-2/h3-10H,11-13H2,1-2H3,(H,26,27) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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Patents
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| Article PubMed
| n/a | n/a | >4.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description Inhibition of human CYP1A2 |
J Med Chem 53: 2854-64 (2010)
Article DOI: 10.1021/jm9016812 BindingDB Entry DOI: 10.7270/Q2B56JW0 |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C8
(Homo sapiens (Human)) | BDBM28800
(2-{[(3-{[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-...)Show SMILES COC(=O)N(CC(O)=O)Cc1cccc(OCc2nc(oc2C)-c2ccc(Cl)cc2)c1 Show InChI InChI=1S/C22H21ClN2O6/c1-14-19(24-21(31-14)16-6-8-17(23)9-7-16)13-30-18-5-3-4-15(10-18)11-25(12-20(26)27)22(28)29-2/h3-10H,11-13H2,1-2H3,(H,26,27) | PDB
KEGG
UniProtKB/SwissProt
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| n/a | n/a | >4.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description Inhibition of human CYP2C8 |
J Med Chem 53: 2854-64 (2010)
Article DOI: 10.1021/jm9016812 BindingDB Entry DOI: 10.7270/Q2B56JW0 |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM28800
(2-{[(3-{[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-...)Show SMILES COC(=O)N(CC(O)=O)Cc1cccc(OCc2nc(oc2C)-c2ccc(Cl)cc2)c1 Show InChI InChI=1S/C22H21ClN2O6/c1-14-19(24-21(31-14)16-6-8-17(23)9-7-16)13-30-18-5-3-4-15(10-18)11-25(12-20(26)27)22(28)29-2/h3-10H,11-13H2,1-2H3,(H,26,27) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| n/a | n/a | >4.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description Inhibition of human CYP2C9 |
J Med Chem 53: 2854-64 (2010)
Article DOI: 10.1021/jm9016812 BindingDB Entry DOI: 10.7270/Q2B56JW0 |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM28800
(2-{[(3-{[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-...)Show SMILES COC(=O)N(CC(O)=O)Cc1cccc(OCc2nc(oc2C)-c2ccc(Cl)cc2)c1 Show InChI InChI=1S/C22H21ClN2O6/c1-14-19(24-21(31-14)16-6-8-17(23)9-7-16)13-30-18-5-3-4-15(10-18)11-25(12-20(26)27)22(28)29-2/h3-10H,11-13H2,1-2H3,(H,26,27) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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| Article PubMed
| n/a | n/a | >4.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description Inhibition of human CYP2C19 |
J Med Chem 53: 2854-64 (2010)
Article DOI: 10.1021/jm9016812 BindingDB Entry DOI: 10.7270/Q2B56JW0 |
More data for this Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM28800
(2-{[(3-{[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-...)Show SMILES COC(=O)N(CC(O)=O)Cc1cccc(OCc2nc(oc2C)-c2ccc(Cl)cc2)c1 Show InChI InChI=1S/C22H21ClN2O6/c1-14-19(24-21(31-14)16-6-8-17(23)9-7-16)13-30-18-5-3-4-15(10-18)11-25(12-20(26)27)22(28)29-2/h3-10H,11-13H2,1-2H3,(H,26,27) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
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MCE MMDB PC cid PC sid PDB UniChem
Patents
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| n/a | n/a | >4.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description Inhibition of human CYP2D6 |
J Med Chem 53: 2854-64 (2010)
Article DOI: 10.1021/jm9016812 BindingDB Entry DOI: 10.7270/Q2B56JW0 |
More data for this Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM28800
(2-{[(3-{[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-...)Show SMILES COC(=O)N(CC(O)=O)Cc1cccc(OCc2nc(oc2C)-c2ccc(Cl)cc2)c1 Show InChI InChI=1S/C22H21ClN2O6/c1-14-19(24-21(31-14)16-6-8-17(23)9-7-16)13-30-18-5-3-4-15(10-18)11-25(12-20(26)27)22(28)29-2/h3-10H,11-13H2,1-2H3,(H,26,27) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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MCE MMDB PC cid PC sid PDB UniChem
Patents
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| n/a | n/a | >1.50E+4 | n/a | 4.10E+3 | n/a | n/a | 8.0 | 22 |
Bristol-Myers Squibb Company
| Assay Description For PPARgamma, the percentage inhibition was calculated relative to rosiglitazone, which was used as the active site-specific competitive binder. Flu... |
J Pharmacol Exp Ther 327: 716-26 (2008)
Article DOI: 10.1124/jpet.108.143271 BindingDB Entry DOI: 10.7270/Q2VD6WT9 |
More data for this Ligand-Target Pair | |