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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Peroxisome proliferator-activated receptor gamma' and Ligand = 'BDBM50229211'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Peroxisome proliferator-activated receptor gamma


(Mus musculus)
BDBM50229211
PNG
(CHEMBL254743 | N-(4-(2-methyl-1-oxo-1-(trifluorome...)
Show SMILES Cc1nc(sc1C(=O)NCc1ccc(OC(C)(C)C(=O)NS(=O)(=O)C(F)(F)F)cc1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C24H21F6N3O5S2/c1-13-18(39-20(32-13)15-6-8-16(9-7-15)23(25,26)27)19(34)31-12-14-4-10-17(11-5-14)38-22(2,3)21(35)33-40(36,37)24(28,29)30/h4-11H,12H2,1-3H3,(H,31,34)(H,33,35)
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PC cid
PC sid
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Similars

Article
PubMed
n/an/an/an/a>1.00E+4n/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
Agonist activity at mouse PPARgamma assessed as receptor activation by cell based assay


Bioorg Med Chem Lett 18: 710-5 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.053
BindingDB Entry DOI: 10.7270/Q2542NBN
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50229211
PNG
(CHEMBL254743 | N-(4-(2-methyl-1-oxo-1-(trifluorome...)
Show SMILES Cc1nc(sc1C(=O)NCc1ccc(OC(C)(C)C(=O)NS(=O)(=O)C(F)(F)F)cc1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C24H21F6N3O5S2/c1-13-18(39-20(32-13)15-6-8-16(9-7-15)23(25,26)27)19(34)31-12-14-4-10-17(11-5-14)38-22(2,3)21(35)33-40(36,37)24(28,29)30/h4-11H,12H2,1-3H3,(H,31,34)(H,33,35)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/an/an/a>1.00E+4n/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
Agonist activity at human PPARgamma assessed as receptor activation by cell based assay


Bioorg Med Chem Lett 18: 710-5 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.053
BindingDB Entry DOI: 10.7270/Q2542NBN
More data for this
Ligand-Target Pair