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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Peroxisome proliferator-activated receptor delta' and Ligand = 'BDBM24566'   
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))
BDBM24566
PNG
(2-({4-chloro-6-[(2,3-dimethylphenyl)amino]pyrimidi...)
Show SMILES Cc1cccc(Nc2cc(Cl)nc(SCC(O)=O)n2)c1C
Show InChI InChI=1S/C14H14ClN3O2S/c1-8-4-3-5-10(9(8)2)16-12-6-11(15)17-14(18-12)21-7-13(19)20/h3-6H,7H2,1-2H3,(H,19,20)(H,16,17,18)
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PubMed
n/an/an/an/a 3.50E+4n/an/an/an/a



Glaxo Wellcome Research & Development

Curated by ChEMBL


Assay Description
Agonist activity for Human PPAR delta receptor in transcriptional activation assay


J Med Chem 43: 527-50 (2000)


BindingDB Entry DOI: 10.7270/Q2H994DT
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM24566
PNG
(2-({4-chloro-6-[(2,3-dimethylphenyl)amino]pyrimidi...)
Show SMILES Cc1cccc(Nc2cc(Cl)nc(SCC(O)=O)n2)c1C
Show InChI InChI=1S/C14H14ClN3O2S/c1-8-4-3-5-10(9(8)2)16-12-6-11(15)17-14(18-12)21-7-13(19)20/h3-6H,7H2,1-2H3,(H,19,20)(H,16,17,18)
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MCE
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Article
PubMed
n/an/an/an/a>1.00E+5n/an/an/an/a



Goethe University Frankfurt

Curated by ChEMBL


Assay Description
Activation of human Gal4-fused PPARdelta LBD transfected in HEK293T after 14 to 16 hrs by dual-glo luciferase reporter gene assay


J Med Chem 62: 2112-2126 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01848
BindingDB Entry DOI: 10.7270/Q2J38X18
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM24566
PNG
(2-({4-chloro-6-[(2,3-dimethylphenyl)amino]pyrimidi...)
Show SMILES Cc1cccc(Nc2cc(Cl)nc(SCC(O)=O)n2)c1C
Show InChI InChI=1S/C14H14ClN3O2S/c1-8-4-3-5-10(9(8)2)16-12-6-11(15)17-14(18-12)21-7-13(19)20/h3-6H,7H2,1-2H3,(H,19,20)(H,16,17,18)
PDB

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CHEMBL
MCE
KEGG
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Article
PubMed
n/an/an/an/a>1.00E+5n/an/an/an/a



Goethe University Frankfurt

Curated by ChEMBL


Assay Description
Activation of human Gal4-fused PPARdelta LBD transfected in HEK293T after 14 to 16 hrs by dual-glo luciferase reporter gene assay


J Med Chem 62: 2112-2126 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01848
BindingDB Entry DOI: 10.7270/Q2J38X18
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM24566
PNG
(2-({4-chloro-6-[(2,3-dimethylphenyl)amino]pyrimidi...)
Show SMILES Cc1cccc(Nc2cc(Cl)nc(SCC(O)=O)n2)c1C
Show InChI InChI=1S/C14H14ClN3O2S/c1-8-4-3-5-10(9(8)2)16-12-6-11(15)17-14(18-12)21-7-13(19)20/h3-6H,7H2,1-2H3,(H,19,20)(H,16,17,18)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 1.46E+3n/an/an/an/a



Research Institute of Tsinghua University

Curated by ChEMBL


Assay Description
In vitro transcription activation on human peroxisome proliferator activated receptor-delta (PPAR delta)


Bioorg Med Chem Lett 14: 3507-11 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.053
BindingDB Entry DOI: 10.7270/Q2RF5TG1
More data for this
Ligand-Target Pair