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SMILES: CCCCn1c(nc2ccccc12)-c1ccc2nn(CCC)c(Cc3ccc(cc3)-c3ccccc3-c3nnn[nH]3)c2c1

InChI Key: InChIKey=XRXMDDDFTLKJHL-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50448029   
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


(Mus musculus)
BDBM50448029
PNG
(CHEMBL3115247)
Show SMILES CCCCn1c(nc2ccccc12)-c1ccc2nn(CCC)c(Cc3ccc(cc3)-c3ccccc3-c3nnn[nH]3)c2c1
Show InChI InChI=1S/C35H34N8/c1-3-5-21-42-32-13-9-8-12-31(32)36-35(42)26-18-19-30-29(23-26)33(43(39-30)20-4-2)22-24-14-16-25(17-15-24)27-10-6-7-11-28(27)34-37-40-41-38-34/h6-19,23H,3-5,20-22H2,1-2H3,(H,37,38,40,41)
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Article
PubMed
n/an/an/an/a>1.00E+4n/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Agonist activity at mouse PPARdelta expressed in CV-1 cells by reporter gene assay


Bioorg Med Chem Lett 24: 1098-103 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.004
BindingDB Entry DOI: 10.7270/Q2SQ91V1
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Mus musculus)
BDBM50448029
PNG
(CHEMBL3115247)
Show SMILES CCCCn1c(nc2ccccc12)-c1ccc2nn(CCC)c(Cc3ccc(cc3)-c3ccccc3-c3nnn[nH]3)c2c1
Show InChI InChI=1S/C35H34N8/c1-3-5-21-42-32-13-9-8-12-31(32)36-35(42)26-18-19-30-29(23-26)33(43(39-30)20-4-2)22-24-14-16-25(17-15-24)27-10-6-7-11-28(27)34-37-40-41-38-34/h6-19,23H,3-5,20-22H2,1-2H3,(H,37,38,40,41)
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n/an/an/an/a 270n/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Partial agonist activity at mouse PPARgamma expressed in CV-1 cells by reporter gene assay


Bioorg Med Chem Lett 24: 1098-103 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.004
BindingDB Entry DOI: 10.7270/Q2SQ91V1
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Mus musculus)
BDBM50448029
PNG
(CHEMBL3115247)
Show SMILES CCCCn1c(nc2ccccc12)-c1ccc2nn(CCC)c(Cc3ccc(cc3)-c3ccccc3-c3nnn[nH]3)c2c1
Show InChI InChI=1S/C35H34N8/c1-3-5-21-42-32-13-9-8-12-31(32)36-35(42)26-18-19-30-29(23-26)33(43(39-30)20-4-2)22-24-14-16-25(17-15-24)27-10-6-7-11-28(27)34-37-40-41-38-34/h6-19,23H,3-5,20-22H2,1-2H3,(H,37,38,40,41)
PDB
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UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a>1.00E+4n/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Agonist activity at mouse PPARalpha expressed in CV-1 cells by reporter gene assay


Bioorg Med Chem Lett 24: 1098-103 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.004
BindingDB Entry DOI: 10.7270/Q2SQ91V1
More data for this
Ligand-Target Pair