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SMILES: CCCc1[nH]c2cc(ccc2c1Cc1ccc(cc1)-c1ccccc1C(O)=O)C(=O)NC(CC)c1ccccc1

InChI Key: InChIKey=ZSCMQESHVHEFHC-UHFFFAOYSA-N

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50448032   
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 gamma


(Mus musculus)
BDBM50448032
PNG
(CHEMBL3115238)
Show SMILES CCCc1[nH]c2cc(ccc2c1Cc1ccc(cc1)-c1ccccc1C(O)=O)C(=O)NC(CC)c1ccccc1
Show InChI InChI=1S/C35H34N2O3/c1-3-10-32-30(21-23-15-17-24(18-16-23)27-13-8-9-14-29(27)35(39)40)28-20-19-26(22-33(28)36-32)34(38)37-31(4-2)25-11-6-5-7-12-25/h5-9,11-20,22,31,36H,3-4,10,21H2,1-2H3,(H,37,38)(H,39,40)
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MMDB

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PC cid
PC sid
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Similars

Article
PubMed
n/an/an/an/a 9n/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
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)
BDBM50448032
PNG
(CHEMBL3115238)
Show SMILES CCCc1[nH]c2cc(ccc2c1Cc1ccc(cc1)-c1ccccc1C(O)=O)C(=O)NC(CC)c1ccccc1
Show InChI InChI=1S/C35H34N2O3/c1-3-10-32-30(21-23-15-17-24(18-16-23)27-13-8-9-14-29(27)35(39)40)28-20-19-26(22-33(28)36-32)34(38)37-31(4-2)25-11-6-5-7-12-25/h5-9,11-20,22,31,36H,3-4,10,21H2,1-2H3,(H,37,38)(H,39,40)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 790n/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