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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Peroxisome proliferator-activated receptor delta' and Ligand = 'BDBM50312475'   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50312475
PNG
(2-(4-((4-(6-Isopropoxypyridin-3-yl)-5-(4-(trifluor...)
Show SMILES CC(C)Oc1ccc(cn1)-c1nc(COc2ccc(OCC(O)=O)c(C)c2)sc1-c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C28H25F3N2O6S/c1-16(2)38-23-11-6-19(13-32-23)26-27(18-4-7-20(8-5-18)39-28(29,30)31)40-24(33-26)14-36-21-9-10-22(17(3)12-21)37-15-25(34)35/h4-13,16H,14-15H2,1-3H3,(H,34,35)
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Article
PubMed
n/an/an/an/a 8n/an/an/an/a



The Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Agonist activity at human PPARdelta ligand binding domain expressed in human 293T cells cotransfected with Gal4-DBD by luciferase transactivation ass...


J Med Chem 53: 77-105 (2010)


Article DOI: 10.1021/jm9007399
BindingDB Entry DOI: 10.7270/Q28052RP
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Mus musculus)
BDBM50312475
PNG
(2-(4-((4-(6-Isopropoxypyridin-3-yl)-5-(4-(trifluor...)
Show SMILES CC(C)Oc1ccc(cn1)-c1nc(COc2ccc(OCC(O)=O)c(C)c2)sc1-c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C28H25F3N2O6S/c1-16(2)38-23-11-6-19(13-32-23)26-27(18-4-7-20(8-5-18)39-28(29,30)31)40-24(33-26)14-36-21-9-10-22(17(3)12-21)37-15-25(34)35/h4-13,16H,14-15H2,1-3H3,(H,34,35)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 13n/an/an/an/a



The Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Agonist activity at mouse PPARdelta by FRET assay


J Med Chem 53: 77-105 (2010)


Article DOI: 10.1021/jm9007399
BindingDB Entry DOI: 10.7270/Q28052RP
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50312475
PNG
(2-(4-((4-(6-Isopropoxypyridin-3-yl)-5-(4-(trifluor...)
Show SMILES CC(C)Oc1ccc(cn1)-c1nc(COc2ccc(OCC(O)=O)c(C)c2)sc1-c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C28H25F3N2O6S/c1-16(2)38-23-11-6-19(13-32-23)26-27(18-4-7-20(8-5-18)39-28(29,30)31)40-24(33-26)14-36-21-9-10-22(17(3)12-21)37-15-25(34)35/h4-13,16H,14-15H2,1-3H3,(H,34,35)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 12n/an/an/an/a



The Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Agonist activity at human PPARdelta ligand binding domain by FRET assay


J Med Chem 53: 77-105 (2010)


Article DOI: 10.1021/jm9007399
BindingDB Entry DOI: 10.7270/Q28052RP
More data for this
Ligand-Target Pair