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BDBM50229211 CHEMBL254743::N-(4-(2-methyl-1-oxo-1-(trifluoromethylsulfonamido)propan-2-yloxy)benzyl)-4-methyl-2-(4-(trifluoromethyl)phenyl)thiazole-5-carboxamide

SMILES: Cc1nc(sc1C(=O)NCc1ccc(OC(C)(C)C(=O)NS(=O)(=O)C(F)(F)F)cc1)-c1ccc(cc1)C(F)(F)F

InChI Key: InChIKey=HAFHLUVWUDJABJ-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 50229211   
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))
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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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
Peroxisome proliferator-activated receptor alpha


(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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n/an/an/an/a>1.00E+4n/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
Agonist activity at mouse PPARalpha 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 delta


(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)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
Agonist activity at human PPARdelta 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


(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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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 delta


(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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n/an/an/an/a>1.00E+4n/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
Agonist activity at mouse PPARdelta 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 alpha (PPAR alpha)


(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)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
Agonist activity at human PPARalpha 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