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BDBM50185943 3-FLUORO-N-[1-(4-FLUOROPHENYL)-3-(2-THIENYL)-1H-PYRAZOL-5-YL]BENZENESULFONAMIDE::3-fluoro-N-(1-(4-fluorophenyl)-3-(2-thienyl)-1H-pyrazol-5-yl)benzenesulfonamide::CHEMBL378160

SMILES: Fc1ccc(cc1)-n1nc(cc1NS(=O)(=O)c1cccc(F)c1)-c1cccs1

InChI Key: InChIKey=GULUFDCOGAXLEP-UHFFFAOYSA-N

Data: 2 IC50  1 EC50

PDB links: 1 PDB ID matches this monomer.

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 3 hits for monomerid = 50185943   
Target
(Institution)
LigandTarget
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
PDB
MMDB

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KEGG

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CHEMBL
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PC cid
PC sid
PDB
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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)

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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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)

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
MMDB

NCI pathway
Reactome pathway
SMPDB pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
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Purchase

CHEMBL
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MMDB
PC cid
PC sid
PDB
UniChem

Similars

AffyNet 
MMDB
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)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)