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SMILES: CCCCCCCCCCCCNC(=O)c1ccc(NC(=O)c2cccc(CN3[C@H](Cc4ccccc4)COC3=O)c2)cc1

InChI Key: InChIKey=KUYBUYXZVCDEPQ-UUWRZZSWSA-N

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

Found 2 hits for monomerid = 50109199   
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


(Homo sapiens (Human))
BDBM50109199
PNG
(CHEMBL3601090)
Show SMILES CCCCCCCCCCCCNC(=O)c1ccc(NC(=O)c2cccc(CN3[C@H](Cc4ccccc4)COC3=O)c2)cc1 |r|
Show InChI InChI=1S/C37H47N3O4/c1-2-3-4-5-6-7-8-9-10-14-24-38-35(41)31-20-22-33(23-21-31)39-36(42)32-19-15-18-30(25-32)27-40-34(28-44-37(40)43)26-29-16-12-11-13-17-29/h11-13,15-23,25,34H,2-10,14,24,26-28H2,1H3,(H,38,41)(H,39,42)/t34-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/an/an/a>1n/an/an/an/a



IQM-CSIC

Curated by ChEMBL


Assay Description
Agonist activity at human PPARgamma transfected in human MCF7 cells after 16 hrs by luciferase reporter gene assay


J Med Chem 58: 6639-52 (2015)


BindingDB Entry DOI: 10.7270/Q29025KV
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50109199
PNG
(CHEMBL3601090)
Show SMILES CCCCCCCCCCCCNC(=O)c1ccc(NC(=O)c2cccc(CN3[C@H](Cc4ccccc4)COC3=O)c2)cc1 |r|
Show InChI InChI=1S/C37H47N3O4/c1-2-3-4-5-6-7-8-9-10-14-24-38-35(41)31-20-22-33(23-21-31)39-36(42)32-19-15-18-30(25-32)27-40-34(28-44-37(40)43)26-29-16-12-11-13-17-29/h11-13,15-23,25,34H,2-10,14,24,26-28H2,1H3,(H,38,41)(H,39,42)/t34-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/an/an/a 6.62E+3n/an/an/an/a



IQM-CSIC

Curated by ChEMBL


Assay Description
Agonist activity at human PPARalpha transfected in human MCF7 cells after 16 hrs by luciferase reporter gene assay


J Med Chem 58: 6639-52 (2015)


BindingDB Entry DOI: 10.7270/Q29025KV
More data for this
Ligand-Target Pair