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BDBM50185944 CHEMBL208472::N-(1-(4-fluorophenyl)-3-(thiophen-2-yl)-1H-pyrazol-5-yl)-3,5-bis(trifluoromethyl)benzenesulfonamide::N-[1-(4-FLUOROPHENYL)-3-(2-THIENYL)-1H-PYRAZOL-5-YL]-3,5-BIS(TRIFLUOROMETHYL)BENZENESULFONAMIDE

SMILES: Fc1ccc(cc1)-n1nc(cc1NS(=O)(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)-c1cccs1

InChI Key: InChIKey=BQSKQGGQDUBLNS-UHFFFAOYSA-N

Data: 1 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 2 hits for monomerid = 50185944   
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))
BDBM50185944
PNG
(CHEMBL208472 | N-(1-(4-fluorophenyl)-3-(thiophen-2...)
Show SMILES Fc1ccc(cc1)-n1nc(cc1NS(=O)(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)-c1cccs1
Show InChI InChI=1S/C21H12F7N3O2S2/c22-14-3-5-15(6-4-14)31-19(11-17(29-31)18-2-1-7-34-18)30-35(32,33)16-9-12(20(23,24)25)8-13(10-16)21(26,27)28/h1-11,30H
PDB
MMDB

NCI pathway
Reactome pathway
SMPDB pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Similars

AffyNet 
MMDB
PDB
Article
PubMed
n/an/an/an/a 0.780n/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))
BDBM50185944
PNG
(CHEMBL208472 | N-(1-(4-fluorophenyl)-3-(thiophen-2...)
Show SMILES Fc1ccc(cc1)-n1nc(cc1NS(=O)(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)-c1cccs1
Show InChI InChI=1S/C21H12F7N3O2S2/c22-14-3-5-15(6-4-14)31-19(11-17(29-31)18-2-1-7-34-18)30-35(32,33)16-9-12(20(23,24)25)8-13(10-16)21(26,27)28/h1-11,30H
PDB
MMDB

NCI pathway
Reactome pathway
SMPDB pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Similars

AffyNet 
MMDB
PDB
Article
PubMed
n/an/a 23n/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)