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SMILES: OC(=O)Cc1cccc(NC(=O)c2ccccc2NC(=O)c2ccc3ccccc3c2)c1

InChI Key: InChIKey=MXUCGKHCNSQKER-UHFFFAOYSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50103180   
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 alpha


(Homo sapiens (Human))
BDBM50103180
PNG
(CHEMBL3393187)
Show SMILES OC(=O)Cc1cccc(NC(=O)c2ccccc2NC(=O)c2ccc3ccccc3c2)c1
Show InChI InChI=1S/C26H20N2O4/c29-24(30)15-17-6-5-9-21(14-17)27-26(32)22-10-3-4-11-23(22)28-25(31)20-13-12-18-7-1-2-8-19(18)16-20/h1-14,16H,15H2,(H,27,32)(H,28,31)(H,29,30)
PDB

UniProtKB/SwissProt

antibodypedia
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 1.44E+4n/an/an/an/a



Goethe University Frankfurt

Curated by ChEMBL


Assay Description
Transactivation of Gal4-tagged PPARalpha ligand binding domain (unknown origin) expressed in COS7 cells measured after overnight incubation by lucife...


Bioorg Med Chem 23: 499-514 (2015)


Article DOI: 10.1016/j.bmc.2014.12.013
BindingDB Entry DOI: 10.7270/Q2MW2JW6
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))
BDBM50103180
PNG
(CHEMBL3393187)
Show SMILES OC(=O)Cc1cccc(NC(=O)c2ccccc2NC(=O)c2ccc3ccccc3c2)c1
Show InChI InChI=1S/C26H20N2O4/c29-24(30)15-17-6-5-9-21(14-17)27-26(32)22-10-3-4-11-23(22)28-25(31)20-13-12-18-7-1-2-8-19(18)16-20/h1-14,16H,15H2,(H,27,32)(H,28,31)(H,29,30)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 2.50E+3n/an/an/an/a



Goethe University Frankfurt

Curated by ChEMBL


Assay Description
Transactivation of human FXR expressed in human HeLa cells incubated for 24 hrs by luciferase reporter gene assay


Bioorg Med Chem 23: 499-514 (2015)


Article DOI: 10.1016/j.bmc.2014.12.013
BindingDB Entry DOI: 10.7270/Q2MW2JW6
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50103180
PNG
(CHEMBL3393187)
Show SMILES OC(=O)Cc1cccc(NC(=O)c2ccccc2NC(=O)c2ccc3ccccc3c2)c1
Show InChI InChI=1S/C26H20N2O4/c29-24(30)15-17-6-5-9-21(14-17)27-26(32)22-10-3-4-11-23(22)28-25(31)20-13-12-18-7-1-2-8-19(18)16-20/h1-14,16H,15H2,(H,27,32)(H,28,31)(H,29,30)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 1.30E+3n/an/an/an/a



Goethe University Frankfurt

Curated by ChEMBL


Assay Description
Transactivation of Gal4-tagged PPARdelta ligand binding domain (unknown origin) expressed in COS7 cells measured after overnight incubation by lucife...


Bioorg Med Chem 23: 499-514 (2015)


Article DOI: 10.1016/j.bmc.2014.12.013
BindingDB Entry DOI: 10.7270/Q2MW2JW6
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50103180
PNG
(CHEMBL3393187)
Show SMILES OC(=O)Cc1cccc(NC(=O)c2ccccc2NC(=O)c2ccc3ccccc3c2)c1
Show InChI InChI=1S/C26H20N2O4/c29-24(30)15-17-6-5-9-21(14-17)27-26(32)22-10-3-4-11-23(22)28-25(31)20-13-12-18-7-1-2-8-19(18)16-20/h1-14,16H,15H2,(H,27,32)(H,28,31)(H,29,30)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
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AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 1.80E+4n/an/an/an/a



Goethe University Frankfurt

Curated by ChEMBL


Assay Description
Transactivation of Gal4-tagged PPARgamma ligand binding domain (unknown origin) expressed in COS7 cells measured after overnight incubation by lucife...


Bioorg Med Chem 23: 499-514 (2015)


Article DOI: 10.1016/j.bmc.2014.12.013
BindingDB Entry DOI: 10.7270/Q2MW2JW6
More data for this
Ligand-Target Pair