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BDBM50079260 CHEMBL3416764

SMILES: Cc1nc(sc1C(=O)NCCS(=O)(=O)c1ccc(cn1)C(F)(F)F)-c1ccc(cc1)C(F)(F)F

InChI Key: InChIKey=AZZXDJUUKNGRAK-UHFFFAOYSA-N

Data: 5 IC50

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 5 hits for monomerid = 50079260   
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 delta


(Homo sapiens (Human))
BDBM50079260
PNG
(CHEMBL3416764)
Show SMILES Cc1nc(sc1C(=O)NCCS(=O)(=O)c1ccc(cn1)C(F)(F)F)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C20H15F6N3O3S2/c1-11-16(33-18(29-11)12-2-4-13(5-3-12)19(21,22)23)17(30)27-8-9-34(31,32)15-7-6-14(10-28-15)20(24,25)26/h2-7,10H,8-9H2,1H3,(H,27,30)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Similars

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



University of Oslo

Curated by ChEMBL


Assay Description
Antagonist activity against pSG5-Gal4-tagged human PPAR-beta/delta ligand binding domain expressed in COS1 cells assessed as inhibition of GW501516-i...


Eur J Med Chem 94: 229-36 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.006
BindingDB Entry DOI: 10.7270/Q25H7HZR
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50079260
PNG
(CHEMBL3416764)
Show SMILES Cc1nc(sc1C(=O)NCCS(=O)(=O)c1ccc(cn1)C(F)(F)F)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C20H15F6N3O3S2/c1-11-16(33-18(29-11)12-2-4-13(5-3-12)19(21,22)23)17(30)27-8-9-34(31,32)15-7-6-14(10-28-15)20(24,25)26/h2-7,10H,8-9H2,1H3,(H,27,30)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 581n/an/an/an/an/an/a



University of Oslo

Curated by ChEMBL


Assay Description
Binding affinity to GST-PPAR-beta/delta LBP (unknown origin) after 20 mins by TR-FRET assay


Bioorg Med Chem 24: 247-60 (2016)


BindingDB Entry DOI: 10.7270/Q2Z89F70
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50079260
PNG
(CHEMBL3416764)
Show SMILES Cc1nc(sc1C(=O)NCCS(=O)(=O)c1ccc(cn1)C(F)(F)F)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C20H15F6N3O3S2/c1-11-16(33-18(29-11)12-2-4-13(5-3-12)19(21,22)23)17(30)27-8-9-34(31,32)15-7-6-14(10-28-15)20(24,25)26/h2-7,10H,8-9H2,1H3,(H,27,30)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 423n/an/an/an/an/an/a



University of Oslo

Curated by ChEMBL


Assay Description
Binding affinity to GST-PPAR-beta/delta LBP (unknown origin) after 1 hr by TR-FRET assay


Bioorg Med Chem 24: 247-60 (2016)


BindingDB Entry DOI: 10.7270/Q2Z89F70
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50079260
PNG
(CHEMBL3416764)
Show SMILES Cc1nc(sc1C(=O)NCCS(=O)(=O)c1ccc(cn1)C(F)(F)F)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C20H15F6N3O3S2/c1-11-16(33-18(29-11)12-2-4-13(5-3-12)19(21,22)23)17(30)27-8-9-34(31,32)15-7-6-14(10-28-15)20(24,25)26/h2-7,10H,8-9H2,1H3,(H,27,30)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 284n/an/an/an/an/an/a



University of Oslo

Curated by ChEMBL


Assay Description
Binding affinity to GST-PPAR-beta/delta LBP (unknown origin) after 3 hrs by TR-FRET assay


Bioorg Med Chem 24: 247-60 (2016)


BindingDB Entry DOI: 10.7270/Q2Z89F70
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50079260
PNG
(CHEMBL3416764)
Show SMILES Cc1nc(sc1C(=O)NCCS(=O)(=O)c1ccc(cn1)C(F)(F)F)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C20H15F6N3O3S2/c1-11-16(33-18(29-11)12-2-4-13(5-3-12)19(21,22)23)17(30)27-8-9-34(31,32)15-7-6-14(10-28-15)20(24,25)26/h2-7,10H,8-9H2,1H3,(H,27,30)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 301n/an/an/an/an/an/a



University of Oslo

Curated by ChEMBL


Assay Description
Binding affinity to GST-PPAR-beta/delta LBP (unknown origin) after 2 hrs by TR-FRET assay


Bioorg Med Chem 24: 247-60 (2016)


BindingDB Entry DOI: 10.7270/Q2Z89F70
More data for this
Ligand-Target Pair