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Compile Data Set for Download or QSAR

Found 9 hits Enz. Inhib. hit(s) with Target = 'Peroxisome proliferator-activated receptor delta' and Ligand = 'BDBM50383373'   
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))
BDBM50383373
PNG
(CHEMBL592652 | GSK0660)
Show SMILES COC(=O)c1sccc1S(=O)(=O)Nc1ccc(Nc2ccccc2)cc1OC
Show InChI InChI=1S/C19H18N2O5S2/c1-25-16-12-14(20-13-6-4-3-5-7-13)8-9-15(16)21-28(23,24)17-10-11-27-18(17)19(22)26-2/h3-12,20-21H,1-2H3
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MCE
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PC sid
UniChem
Article
PubMed
4.60n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to PPAR-delta (unknown origin) by TR-FRET assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01874
BindingDB Entry DOI: 10.7270/Q2VX0M6T
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Mus musculus)
BDBM50383373
PNG
(CHEMBL592652 | GSK0660)
Show SMILES COC(=O)c1sccc1S(=O)(=O)Nc1ccc(Nc2ccccc2)cc1OC
Show InChI InChI=1S/C19H18N2O5S2/c1-25-16-12-14(20-13-6-4-3-5-7-13)8-9-15(16)21-28(23,24)17-10-11-27-18(17)19(22)26-2/h3-12,20-21H,1-2H3
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
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CHEMBL
MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 48n/an/an/an/an/an/a



Philipps University

Curated by ChEMBL


Assay Description
Inverse agonist activity at PPARbeta/delta in mouse C2C12 cells assessed as inhibition of Angptl4 expression after 24 hrs by RT-qPCR analysis


J Med Chem 55: 2858-68 (2012)


Article DOI: 10.1021/jm2017122
BindingDB Entry DOI: 10.7270/Q2XK8GK9
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50383373
PNG
(CHEMBL592652 | GSK0660)
Show SMILES COC(=O)c1sccc1S(=O)(=O)Nc1ccc(Nc2ccccc2)cc1OC
Show InChI InChI=1S/C19H18N2O5S2/c1-25-16-12-14(20-13-6-4-3-5-7-13)8-9-15(16)21-28(23,24)17-10-11-27-18(17)19(22)26-2/h3-12,20-21H,1-2H3
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CHEMBL
MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 155n/an/an/an/an/an/a



University of Oslo

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal hexa-histidine tagged and fluorescein-labeled human PPAR-beta/delta (164 to 441 residues) expressed in Escherichia col...


Eur J Med Chem 94: 229-36 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.006
BindingDB Entry DOI: 10.7270/Q25H7HZR
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50383373
PNG
(CHEMBL592652 | GSK0660)
Show SMILES COC(=O)c1sccc1S(=O)(=O)Nc1ccc(Nc2ccccc2)cc1OC
Show InChI InChI=1S/C19H18N2O5S2/c1-25-16-12-14(20-13-6-4-3-5-7-13)8-9-15(16)21-28(23,24)17-10-11-27-18(17)19(22)26-2/h3-12,20-21H,1-2H3
PDB

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CHEMBL
MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 158n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human PPARdelta receptor by ligand displacement assay


J Med Chem 53: 1857-61 (2010)


Article DOI: 10.1021/jm900464j
BindingDB Entry DOI: 10.7270/Q2V98998
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50383373
PNG
(CHEMBL592652 | GSK0660)
Show SMILES COC(=O)c1sccc1S(=O)(=O)Nc1ccc(Nc2ccccc2)cc1OC
Show InChI InChI=1S/C19H18N2O5S2/c1-25-16-12-14(20-13-6-4-3-5-7-13)8-9-15(16)21-28(23,24)17-10-11-27-18(17)19(22)26-2/h3-12,20-21H,1-2H3
PDB

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CHEMBL
MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 316n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human PPARdelta ligand binding domain-mediated transcriptional activity in CV1 cells by Gal4 chimera reporter assay


J Med Chem 53: 1857-61 (2010)


Article DOI: 10.1021/jm900464j
BindingDB Entry DOI: 10.7270/Q2V98998
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50383373
PNG
(CHEMBL592652 | GSK0660)
Show SMILES COC(=O)c1sccc1S(=O)(=O)Nc1ccc(Nc2ccccc2)cc1OC
Show InChI InChI=1S/C19H18N2O5S2/c1-25-16-12-14(20-13-6-4-3-5-7-13)8-9-15(16)21-28(23,24)17-10-11-27-18(17)19(22)26-2/h3-12,20-21H,1-2H3
PDB

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CHEMBL
MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 4.34E+3n/an/an/an/a


TBA

Assay Description
Antagonist activity at PPARdelta LBD (unknown origin) assessed as increase in recruitment of SMRT ID2 corepressor peptide by TR-FRET assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01874
BindingDB Entry DOI: 10.7270/Q2VX0M6T
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50383373
PNG
(CHEMBL592652 | GSK0660)
Show SMILES COC(=O)c1sccc1S(=O)(=O)Nc1ccc(Nc2ccccc2)cc1OC
Show InChI InChI=1S/C19H18N2O5S2/c1-25-16-12-14(20-13-6-4-3-5-7-13)8-9-15(16)21-28(23,24)17-10-11-27-18(17)19(22)26-2/h3-12,20-21H,1-2H3
PDB

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CHEMBL
MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 4.00E+3n/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist at PPARdelta LBD (unknown origin) assessed as increase in recruitment of coactivator peptide C33 cotreated with PPARdelta agonist GW501516...


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115226
BindingDB Entry DOI: 10.7270/Q28P6438
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50383373
PNG
(CHEMBL592652 | GSK0660)
Show SMILES COC(=O)c1sccc1S(=O)(=O)Nc1ccc(Nc2ccccc2)cc1OC
Show InChI InChI=1S/C19H18N2O5S2/c1-25-16-12-14(20-13-6-4-3-5-7-13)8-9-15(16)21-28(23,24)17-10-11-27-18(17)19(22)26-2/h3-12,20-21H,1-2H3
PDB

UniProtKB/SwissProt

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CHEMBL
MCE
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PC sid
UniChem
Article
PubMed
n/an/an/an/a 3.40E+3n/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00159
BindingDB Entry DOI: 10.7270/Q24F1VRX
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50383373
PNG
(CHEMBL592652 | GSK0660)
Show SMILES COC(=O)c1sccc1S(=O)(=O)Nc1ccc(Nc2ccccc2)cc1OC
Show InChI InChI=1S/C19H18N2O5S2/c1-25-16-12-14(20-13-6-4-3-5-7-13)8-9-15(16)21-28(23,24)17-10-11-27-18(17)19(22)26-2/h3-12,20-21H,1-2H3
PDB

UniProtKB/SwissProt

antibodypedia
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CHEMBL
MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 5.40E+3n/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at PPARdelta LBD (unknown origin) assessed as increase in recruitment of SMRT ID2 corepressor peptide by TR-FRET assay


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115226
BindingDB Entry DOI: 10.7270/Q28P6438
More data for this
Ligand-Target Pair