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1 similar compounds to monomer 50185944

Compile data set for download or QSAR
Wt: 417.4
BDBM50185943
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50185943   
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))
BDBM50185943
PNG
(3-FLUORO-N-[1-(4-FLUOROPHENYL)-3-(2-THIENYL)-1H-PY...)
Show SMILES Fc1ccc(cc1)-n1nc(cc1NS(=O)(=O)c1cccc(F)c1)-c1cccs1
Show InChI InChI=1S/C19H13F2N3O2S2/c20-13-6-8-15(9-7-13)24-19(12-17(22-24)18-5-2-10-27-18)23-28(25,26)16-4-1-3-14(21)11-16/h1-12,23H
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PubMed
n/an/an/an/a 1.75E+3n/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Effect on Gal4/PPAR-gamma-LBD construct transactivation in Huh7 cells


J Med Chem 49: 2703-12 (2006)


Article DOI: 10.1021/jm051129s
BindingDB Entry DOI: 10.7270/Q2736QHH
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50185943
PNG
(3-FLUORO-N-[1-(4-FLUOROPHENYL)-3-(2-THIENYL)-1H-PY...)
Show SMILES Fc1ccc(cc1)-n1nc(cc1NS(=O)(=O)c1cccc(F)c1)-c1cccs1
Show InChI InChI=1S/C19H13F2N3O2S2/c20-13-6-8-15(9-7-13)24-19(12-17(22-24)18-5-2-10-27-18)23-28(25,26)16-4-1-3-14(21)11-16/h1-12,23H
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PC cid
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PDB
Article
PubMed
n/an/a 512n/an/an/an/an/an/a



Sookmyung Women's University

Curated by ChEMBL


Assay Description
Displacement of fluormone PPAR-green from N-terminal His-tagged human PPARgamma-LBD after 2 hrs by fluorescence polarization assay


Bioorg Med Chem 18: 8315-23 (2010)


Article DOI: 10.1016/j.bmc.2010.09.068
BindingDB Entry DOI: 10.7270/Q25T3KQ1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50185943
PNG
(3-FLUORO-N-[1-(4-FLUOROPHENYL)-3-(2-THIENYL)-1H-PY...)
Show SMILES Fc1ccc(cc1)-n1nc(cc1NS(=O)(=O)c1cccc(F)c1)-c1cccs1
Show InChI InChI=1S/C19H13F2N3O2S2/c20-13-6-8-15(9-7-13)24-19(12-17(22-24)18-5-2-10-27-18)23-28(25,26)16-4-1-3-14(21)11-16/h1-12,23H
PDB
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NCI pathway
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KEGG

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CHEMBL
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MMDB
PC cid
PC sid
PDB
UniChem

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MMDB
PDB
Article
PubMed
n/an/a 512n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Displacement of [3H]rosiglitazone from PPARgamma by SPA


J Med Chem 49: 2703-12 (2006)


Article DOI: 10.1021/jm051129s
BindingDB Entry DOI: 10.7270/Q2736QHH
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)