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BDBM50192829 CHEMBL3958704::US10188627, Compound 8a

SMILES: CN(Cc1ccccc1OC\C=C(/C)CCC(O)=O)C(=O)c1ccc(cc1)-c1ccco1

InChI Key: InChIKey=WZFMWAHUFRLQRH-XDJHFCHBSA-N

Data: 5 EC50

PDB links: 1 PDB ID matches this monomer.

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50192829   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50192829
PNG
(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

GoogleScholar
CHEMBL
PC cid
PC sid
PDB
UniChem

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PDB
Article
PubMed
n/an/an/an/a 56n/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
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50192829
PNG
(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

GoogleScholar
CHEMBL
PC cid
PC sid
PDB
UniChem

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PDB
Article
PubMed
n/an/an/an/a 5.10n/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
3D
3D Structure (crystal)
PPAR delta protein


(Rattus norvegicus (Rat))
BDBM50192829
PNG
(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/TrEMBL

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PC sid
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UniChem

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Article
US Patent
n/an/an/an/a 5.06n/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)


Article DOI: 10.1016/j.bmcl.2005.03.055
BindingDB Entry DOI: 10.7270/Q2HX1FR6
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50192829
PNG
(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

GoogleScholar
CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
US Patent
n/an/an/an/a 56n/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)


Article DOI: 10.1016/j.bmcl.2005.03.055
BindingDB Entry DOI: 10.7270/Q2HX1FR6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50192829
PNG
(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

GoogleScholar
CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
US Patent
n/an/an/an/a 5.06n/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)


Article DOI: 10.1016/j.bmcl.2005.03.055
BindingDB Entry DOI: 10.7270/Q2HX1FR6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)