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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 433.4
BDBM323597

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 6 hits in this display   
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))
BDBM323597
PNG
((E)-6-(2-((4-(furan-2-yl)-N-methylbenzamido)methyl...)
Show SMILES CN(Cc1ccccc1OCCC\C(C)=C\C(O)=O)C(=O)c1ccc(cc1)-c1ccco1
Show InChI InChI=1S/C26H27NO5/c1-19(17-25(28)29)7-5-15-32-24-9-4-3-8-22(24)18-27(2)26(30)21-13-11-20(12-14-21)23-10-6-16-31-23/h3-4,6,8-14,16-17H,5,7,15,18H2,1-2H3,(H,28,29)/b19-17+
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 694n/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
PPAR delta protein


(Rattus norvegicus (Rat))
BDBM323597
PNG
((E)-6-(2-((4-(furan-2-yl)-N-methylbenzamido)methyl...)
Show SMILES CN(Cc1ccccc1OCCC\C(C)=C\C(O)=O)C(=O)c1ccc(cc1)-c1ccco1
Show InChI InChI=1S/C26H27NO5/c1-19(17-25(28)29)7-5-15-32-24-9-4-3-8-22(24)18-27(2)26(30)21-13-11-20(12-14-21)23-10-6-16-31-23/h3-4,6,8-14,16-17H,5,7,15,18H2,1-2H3,(H,28,29)/b19-17+
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 694n/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
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM323597
PNG
((E)-6-(2-((4-(furan-2-yl)-N-methylbenzamido)methyl...)
Show SMILES CN(Cc1ccccc1OCCC\C(C)=C\C(O)=O)C(=O)c1ccc(cc1)-c1ccco1
Show InChI InChI=1S/C26H27NO5/c1-19(17-25(28)29)7-5-15-32-24-9-4-3-8-22(24)18-27(2)26(30)21-13-11-20(12-14-21)23-10-6-16-31-23/h3-4,6,8-14,16-17H,5,7,15,18H2,1-2H3,(H,28,29)/b19-17+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a>1.00E+4n/an/an/an/a



Mitobridge, Inc.

Curated by ChEMBL


Assay Description
Activation of human PPARgamma 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 alpha


(Homo sapiens (Human))
BDBM323597
PNG
((E)-6-(2-((4-(furan-2-yl)-N-methylbenzamido)methyl...)
Show SMILES CN(Cc1ccccc1OCCC\C(C)=C\C(O)=O)C(=O)c1ccc(cc1)-c1ccco1
Show InChI InChI=1S/C26H27NO5/c1-19(17-25(28)29)7-5-15-32-24-9-4-3-8-22(24)18-27(2)26(30)21-13-11-20(12-14-21)23-10-6-16-31-23/h3-4,6,8-14,16-17H,5,7,15,18H2,1-2H3,(H,28,29)/b19-17+
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a>1.00E+4n/an/an/an/a



Mitobridge, Inc.

Curated by ChEMBL


Assay Description
Activation of human PPARalpha 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))
BDBM323597
PNG
((E)-6-(2-((4-(furan-2-yl)-N-methylbenzamido)methyl...)
Show SMILES CN(Cc1ccccc1OCCC\C(C)=C\C(O)=O)C(=O)c1ccc(cc1)-c1ccco1
Show InChI InChI=1S/C26H27NO5/c1-19(17-25(28)29)7-5-15-32-24-9-4-3-8-22(24)18-27(2)26(30)21-13-11-20(12-14-21)23-10-6-16-31-23/h3-4,6,8-14,16-17H,5,7,15,18H2,1-2H3,(H,28,29)/b19-17+
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 690n/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))
BDBM323597
PNG
((E)-6-(2-((4-(furan-2-yl)-N-methylbenzamido)methyl...)
Show SMILES CN(Cc1ccccc1OCCC\C(C)=C\C(O)=O)C(=O)c1ccc(cc1)-c1ccco1
Show InChI InChI=1S/C26H27NO5/c1-19(17-25(28)29)7-5-15-32-24-9-4-3-8-22(24)18-27(2)26(30)21-13-11-20(12-14-21)23-10-6-16-31-23/h3-4,6,8-14,16-17H,5,7,15,18H2,1-2H3,(H,28,29)/b19-17+
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a>1.00E+4n/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