Found 6 hits in this display 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)) | BDBM50172000
(5-{3-[2-Chloro-4-(2,2,2-trifluoro-ethyl)-phenoxy]-...)Show SMILES OC(=O)C1(Cc2cc(OCCCOc3ccc(CC(F)(F)F)cc3Cl)ccc2O1)C(F)(F)F Show InChI InChI=1S/C21H17ClF6O5/c22-15-8-12(10-20(23,24)25)2-4-17(15)32-7-1-6-31-14-3-5-16-13(9-14)11-19(33-16,18(29)30)21(26,27)28/h2-5,8-9H,1,6-7,10-11H2,(H,29,30) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 399 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description In vitro binding affinity for PPAR-delta |
J Med Chem 48: 5589-99 (2005)
Article DOI: 10.1021/jm050373g BindingDB Entry DOI: 10.7270/Q25T3K0M |
More data for this Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50172000
(5-{3-[2-Chloro-4-(2,2,2-trifluoro-ethyl)-phenoxy]-...)Show SMILES OC(=O)C1(Cc2cc(OCCCOc3ccc(CC(F)(F)F)cc3Cl)ccc2O1)C(F)(F)F Show InChI InChI=1S/C21H17ClF6O5/c22-15-8-12(10-20(23,24)25)2-4-17(15)32-7-1-6-31-14-3-5-16-13(9-14)11-19(33-16,18(29)30)21(26,27)28/h2-5,8-9H,1,6-7,10-11H2,(H,29,30) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | >1.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description In vitro binding affinity for PPAR-gamma |
J Med Chem 48: 5589-99 (2005)
Article DOI: 10.1021/jm050373g BindingDB Entry DOI: 10.7270/Q25T3K0M |
More data for this Ligand-Target Pair | |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM50172000
(5-{3-[2-Chloro-4-(2,2,2-trifluoro-ethyl)-phenoxy]-...)Show SMILES OC(=O)C1(Cc2cc(OCCCOc3ccc(CC(F)(F)F)cc3Cl)ccc2O1)C(F)(F)F Show InChI InChI=1S/C21H17ClF6O5/c22-15-8-12(10-20(23,24)25)2-4-17(15)32-7-1-6-31-14-3-5-16-13(9-14)11-19(33-16,18(29)30)21(26,27)28/h2-5,8-9H,1,6-7,10-11H2,(H,29,30) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 750 | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Effective concentration against hamster PPAR-alpha in Gal4 transactivation assay |
J Med Chem 48: 5589-99 (2005)
Article DOI: 10.1021/jm050373g BindingDB Entry DOI: 10.7270/Q25T3K0M |
More data for this Ligand-Target Pair | |
Peroxisome proliferator-activated receptor alpha
(Canis familiaris) | BDBM50172000
(5-{3-[2-Chloro-4-(2,2,2-trifluoro-ethyl)-phenoxy]-...)Show SMILES OC(=O)C1(Cc2cc(OCCCOc3ccc(CC(F)(F)F)cc3Cl)ccc2O1)C(F)(F)F Show InChI InChI=1S/C21H17ClF6O5/c22-15-8-12(10-20(23,24)25)2-4-17(15)32-7-1-6-31-14-3-5-16-13(9-14)11-19(33-16,18(29)30)21(26,27)28/h2-5,8-9H,1,6-7,10-11H2,(H,29,30) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 26 | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Effective concentration against canine PPAR-alpha in Gal4 transactivation assay |
J Med Chem 48: 5589-99 (2005)
Article DOI: 10.1021/jm050373g BindingDB Entry DOI: 10.7270/Q25T3K0M |
More data for this Ligand-Target Pair | |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM50172000
(5-{3-[2-Chloro-4-(2,2,2-trifluoro-ethyl)-phenoxy]-...)Show SMILES OC(=O)C1(Cc2cc(OCCCOc3ccc(CC(F)(F)F)cc3Cl)ccc2O1)C(F)(F)F Show InChI InChI=1S/C21H17ClF6O5/c22-15-8-12(10-20(23,24)25)2-4-17(15)32-7-1-6-31-14-3-5-16-13(9-14)11-19(33-16,18(29)30)21(26,27)28/h2-5,8-9H,1,6-7,10-11H2,(H,29,30) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 37 | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description In vitro inhibitory activity against Factor Xa |
J Med Chem 48: 5589-99 (2005)
Article DOI: 10.1021/jm050373g BindingDB Entry DOI: 10.7270/Q25T3K0M |
More data for this Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50172000
(5-{3-[2-Chloro-4-(2,2,2-trifluoro-ethyl)-phenoxy]-...)Show SMILES OC(=O)C1(Cc2cc(OCCCOc3ccc(CC(F)(F)F)cc3Cl)ccc2O1)C(F)(F)F Show InChI InChI=1S/C21H17ClF6O5/c22-15-8-12(10-20(23,24)25)2-4-17(15)32-7-1-6-31-14-3-5-16-13(9-14)11-19(33-16,18(29)30)21(26,27)28/h2-5,8-9H,1,6-7,10-11H2,(H,29,30) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | >3.00E+3 | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description In vitro inhibitory activity against Factor Xa |
J Med Chem 48: 5589-99 (2005)
Article DOI: 10.1021/jm050373g BindingDB Entry DOI: 10.7270/Q25T3K0M |
More data for this Ligand-Target Pair | |