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Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with Target = 'Peroxisome proliferator-activated receptor delta' and Ligand = 'BDBM50192835'   
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))
BDBM50192835
PNG
(CHEMBL3981654 | US10188627, Compound 8x)
Show SMILES CN(Cc1ccccc1OCCC[C@@H]1C[C@@H]1C(O)=O)C(=O)c1ccc(cc1)-c1ccco1 |r|
Show InChI InChI=1S/C26H27NO5/c1-27(25(28)19-12-10-18(11-13-19)23-9-5-15-31-23)17-21-6-2-3-8-24(21)32-14-4-7-20-16-22(20)26(29)30/h2-3,5-6,8-13,15,20,22H,4,7,14,16-17H2,1H3,(H,29,30)/t20-,22+/m1/s1
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Article
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n/an/an/an/a 265n/an/an/an/a



Temple University

Curated by ChEMBL


Assay Description
Transactivation of ProLink tagged human PPARdelta transfected in CHO-K1 cells assessed as interaction with EA labelled SRCP after 3 to 16 hrs by beta...


ACS Med Chem Lett 7: 824-5 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00301
BindingDB Entry DOI: 10.7270/Q2WH2RZ8
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50192835
PNG
(CHEMBL3981654 | US10188627, Compound 8x)
Show SMILES CN(Cc1ccccc1OCCC[C@@H]1C[C@@H]1C(O)=O)C(=O)c1ccc(cc1)-c1ccco1 |r|
Show InChI InChI=1S/C26H27NO5/c1-27(25(28)19-12-10-18(11-13-19)23-9-5-15-31-23)17-21-6-2-3-8-24(21)32-14-4-7-20-16-22(20)26(29)30/h2-3,5-6,8-13,15,20,22H,4,7,14,16-17H2,1H3,(H,29,30)/t20-,22+/m1/s1
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n/an/an/an/a 83n/an/an/an/a



Temple University

Curated by ChEMBL


Assay Description
Transactivation of human Gal4-PPARdelta LBD transfected in African green monkey CV1 cells after 24 hrs by luciferase reporter gene assay


ACS Med Chem Lett 7: 824-5 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00301
BindingDB Entry DOI: 10.7270/Q2WH2RZ8
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50192835
PNG
(CHEMBL3981654 | US10188627, Compound 8x)
Show SMILES CN(Cc1ccccc1OCCC[C@@H]1C[C@@H]1C(O)=O)C(=O)c1ccc(cc1)-c1ccco1 |r|
Show InChI InChI=1S/C26H27NO5/c1-27(25(28)19-12-10-18(11-13-19)23-9-5-15-31-23)17-21-6-2-3-8-24(21)32-14-4-7-20-16-22(20)26(29)30/h2-3,5-6,8-13,15,20,22H,4,7,14,16-17H2,1H3,(H,29,30)/t20-,22+/m1/s1
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n/an/an/an/a 270n/an/an/an/a



Mitobridge, Inc.

Curated by ChEMBL


Assay Description
Activation of human PPARdelta LBD expressed in CHO-K1 cells by beta galactosidase enzyme fragment complement based fluorescence assay


Bioorg Med Chem Lett 27: 5230-5234 (2017)


Article DOI: 10.1016/j.bmcl.2017.10.037
BindingDB Entry DOI: 10.7270/Q21V5HJT
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50192835
PNG
(CHEMBL3981654 | US10188627, Compound 8x)
Show SMILES CN(Cc1ccccc1OCCC[C@@H]1C[C@@H]1C(O)=O)C(=O)c1ccc(cc1)-c1ccco1 |r|
Show InChI InChI=1S/C26H27NO5/c1-27(25(28)19-12-10-18(11-13-19)23-9-5-15-31-23)17-21-6-2-3-8-24(21)32-14-4-7-20-16-22(20)26(29)30/h2-3,5-6,8-13,15,20,22H,4,7,14,16-17H2,1H3,(H,29,30)/t20-,22+/m1/s1
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US Patent
n/an/an/an/a 82.5n/an/an/an/a



Mitobridge, Inc.; Salk Institute for Biological Studies

US Patent


Assay Description
Cell Handling: PathHunter NHR cell lines were expanded from freezer stocks according to standard procedures. Cells were seeded in a total volume of 2...


US Patent US10188627 (2019)


BindingDB Entry DOI: 10.7270/Q2HX1FR6
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50192835
PNG
(CHEMBL3981654 | US10188627, Compound 8x)
Show SMILES CN(Cc1ccccc1OCCC[C@@H]1C[C@@H]1C(O)=O)C(=O)c1ccc(cc1)-c1ccco1 |r|
Show InChI InChI=1S/C26H27NO5/c1-27(25(28)19-12-10-18(11-13-19)23-9-5-15-31-23)17-21-6-2-3-8-24(21)32-14-4-7-20-16-22(20)26(29)30/h2-3,5-6,8-13,15,20,22H,4,7,14,16-17H2,1H3,(H,29,30)/t20-,22+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
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PC sid
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Article
PubMed
n/an/an/an/a 330n/an/an/an/a



Mitobridge, Inc.

Curated by ChEMBL


Assay Description
Transactivation of yeast GAL4 DNA binding domain-fused PPARdelta LBD (unknown origin) expressed in CV-1 cells after 24 hrs by luciferase reporter gen...


Bioorg Med Chem Lett 27: 5230-5234 (2017)


Article DOI: 10.1016/j.bmcl.2017.10.037
BindingDB Entry DOI: 10.7270/Q21V5HJT
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50192835
PNG
(CHEMBL3981654 | US10188627, Compound 8x)
Show SMILES CN(Cc1ccccc1OCCC[C@@H]1C[C@@H]1C(O)=O)C(=O)c1ccc(cc1)-c1ccco1 |r|
Show InChI InChI=1S/C26H27NO5/c1-27(25(28)19-12-10-18(11-13-19)23-9-5-15-31-23)17-21-6-2-3-8-24(21)32-14-4-7-20-16-22(20)26(29)30/h2-3,5-6,8-13,15,20,22H,4,7,14,16-17H2,1H3,(H,29,30)/t20-,22+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

US Patent
n/an/an/an/a 265n/an/an/an/a



Mitobridge, Inc.; Salk Institute for Biological Studies

US Patent


Assay Description
Medium including test compound was aspirated and washed with PBS. 50 μl PBS including 1 mM Mg++ and Ca++ were then added to each well. The lucif...


US Patent US10188627 (2019)


BindingDB Entry DOI: 10.7270/Q2HX1FR6
More data for this
Ligand-Target Pair