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BDBM50392679 CHEMBL2153839

SMILES: CS(=O)(=O)NC(=O)C(Sc1nc2cc(Cl)ccc2s1)c1ccccc1

InChI Key: InChIKey=NSPVFFZZDPHABN-UHFFFAOYNA-N

Data: 2 IC50

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   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50392679   
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 (PPAR alpha)


(Homo sapiens (Human))
BDBM50392679
PNG
(CHEMBL2153839)
Show SMILES CS(=O)(=O)NC(=O)C(Sc1nc2cc(Cl)ccc2s1)c1ccccc1
Show InChI InChI=1/C16H13ClN2O3S3/c1-25(21,22)19-15(20)14(10-5-3-2-4-6-10)24-16-18-12-9-11(17)7-8-13(12)23-16/h2-9,14H,1H3,(H,19,20)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 950n/an/an/an/an/an/a



Universit£ G. d'Annunzio

Curated by ChEMBL


Assay Description
Binding affinity to PPARalpha LBD after 2 hrs by TR-FRET analysis


Eur J Med Chem 58: 317-22 (2012)


Article DOI: 10.1016/j.ejmech.2012.10.019
BindingDB Entry DOI: 10.7270/Q2CR5VG4
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50392679
PNG
(CHEMBL2153839)
Show SMILES CS(=O)(=O)NC(=O)C(Sc1nc2cc(Cl)ccc2s1)c1ccccc1
Show InChI InChI=1/C16H13ClN2O3S3/c1-25(21,22)19-15(20)14(10-5-3-2-4-6-10)24-16-18-12-9-11(17)7-8-13(12)23-16/h2-9,14H,1H3,(H,19,20)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 900n/an/an/an/an/an/a



Universit£ G. d'Annunzio

Curated by ChEMBL


Assay Description
Antagonist activity at PPARalpha expressed in HEK293 cells co-expressing GAL4 assessed as inhibition of GW7647-induced transactivation activity after...


Eur J Med Chem 58: 317-22 (2012)


Article DOI: 10.1016/j.ejmech.2012.10.019
BindingDB Entry DOI: 10.7270/Q2CR5VG4
More data for this
Ligand-Target Pair