BindingDB logo
myBDB logout

BDBM50103150 CHEMBL3393179

SMILES: OC(=O)Cc1cccc(NC(=O)c2ccccc2NC(=O)c2ccc(cc2)C(F)(F)F)c1

InChI Key: InChIKey=WGEMFYPGQRNTAS-UHFFFAOYSA-N

Data: 4 EC50

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 = 50103150   
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


(Homo sapiens (Human))
BDBM50103150
PNG
(CHEMBL3393179)
Show SMILES OC(=O)Cc1cccc(NC(=O)c2ccccc2NC(=O)c2ccc(cc2)C(F)(F)F)c1
Show InChI InChI=1S/C23H17F3N2O4/c24-23(25,26)16-10-8-15(9-11-16)21(31)28-19-7-2-1-6-18(19)22(32)27-17-5-3-4-14(12-17)13-20(29)30/h1-12H,13H2,(H,27,32)(H,28,31)(H,29,30)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 9.40E+3n/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
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50103150
PNG
(CHEMBL3393179)
Show SMILES OC(=O)Cc1cccc(NC(=O)c2ccccc2NC(=O)c2ccc(cc2)C(F)(F)F)c1
Show InChI InChI=1S/C23H17F3N2O4/c24-23(25,26)16-10-8-15(9-11-16)21(31)28-19-7-2-1-6-18(19)22(32)27-17-5-3-4-14(12-17)13-20(29)30/h1-12H,13H2,(H,27,32)(H,28,31)(H,29,30)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 5.40E+3n/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))
BDBM50103150
PNG
(CHEMBL3393179)
Show SMILES OC(=O)Cc1cccc(NC(=O)c2ccccc2NC(=O)c2ccc(cc2)C(F)(F)F)c1
Show InChI InChI=1S/C23H17F3N2O4/c24-23(25,26)16-10-8-15(9-11-16)21(31)28-19-7-2-1-6-18(19)22(32)27-17-5-3-4-14(12-17)13-20(29)30/h1-12H,13H2,(H,27,32)(H,28,31)(H,29,30)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 2.60E+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))
BDBM50103150
PNG
(CHEMBL3393179)
Show SMILES OC(=O)Cc1cccc(NC(=O)c2ccccc2NC(=O)c2ccc(cc2)C(F)(F)F)c1
Show InChI InChI=1S/C23H17F3N2O4/c24-23(25,26)16-10-8-15(9-11-16)21(31)28-19-7-2-1-6-18(19)22(32)27-17-5-3-4-14(12-17)13-20(29)30/h1-12H,13H2,(H,27,32)(H,28,31)(H,29,30)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 2.20E+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