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BDBM50127217 (E)-3-{2-Methyl-4-[4-methyl-2-(4-trifluoromethyl-phenyl)-thiazol-5-ylmethoxy]-phenyl}-acrylic acid::CHEMBL40614

SMILES: Cc1nc(sc1COc1ccc(\C=C\C(O)=O)c(C)c1)-c1ccc(cc1)C(F)(F)F

InChI Key: InChIKey=MRQBQZNVLNJRQR-UXBLZVDNSA-N

Data: 1 IC50  3 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 4 hits for monomerid = 50127217   
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))
BDBM50127217
PNG
((E)-3-{2-Methyl-4-[4-methyl-2-(4-trifluoromethyl-p...)
Show SMILES Cc1nc(sc1COc1ccc(\C=C\C(O)=O)c(C)c1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C22H18F3NO3S/c1-13-11-18(9-5-15(13)6-10-20(27)28)29-12-19-14(2)26-21(30-19)16-3-7-17(8-4-16)22(23,24)25/h3-11H,12H2,1-2H3,(H,27,28)/b10-6+
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
n/an/an/an/a 20n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Maximum transcriptional activation of human PPAR delta receptor


Bioorg Med Chem Lett 13: 1517-21 (2003)


BindingDB Entry DOI: 10.7270/Q2VQ322G
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50127217
PNG
((E)-3-{2-Methyl-4-[4-methyl-2-(4-trifluoromethyl-p...)
Show SMILES Cc1nc(sc1COc1ccc(\C=C\C(O)=O)c(C)c1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C22H18F3NO3S/c1-13-11-18(9-5-15(13)6-10-20(27)28)29-12-19-14(2)26-21(30-19)16-3-7-17(8-4-16)22(23,24)25/h3-11H,12H2,1-2H3,(H,27,28)/b10-6+
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
n/an/an/an/a 3.20E+3n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Maximum transcriptional activation of human PPAR alpha receptor


Bioorg Med Chem Lett 13: 1517-21 (2003)


BindingDB Entry DOI: 10.7270/Q2VQ322G
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50127217
PNG
((E)-3-{2-Methyl-4-[4-methyl-2-(4-trifluoromethyl-p...)
Show SMILES Cc1nc(sc1COc1ccc(\C=C\C(O)=O)c(C)c1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C22H18F3NO3S/c1-13-11-18(9-5-15(13)6-10-20(27)28)29-12-19-14(2)26-21(30-19)16-3-7-17(8-4-16)22(23,24)25/h3-11H,12H2,1-2H3,(H,27,28)/b10-6+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
n/an/an/an/a 2.70E+3n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Maximum transcriptional activation of human PPAR gamma receptor


Bioorg Med Chem Lett 13: 1517-21 (2003)


BindingDB Entry DOI: 10.7270/Q2VQ322G
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50127217
PNG
((E)-3-{2-Methyl-4-[4-methyl-2-(4-trifluoromethyl-p...)
Show SMILES Cc1nc(sc1COc1ccc(\C=C\C(O)=O)c(C)c1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C22H18F3NO3S/c1-13-11-18(9-5-15(13)6-10-20(27)28)29-12-19-14(2)26-21(30-19)16-3-7-17(8-4-16)22(23,24)25/h3-11H,12H2,1-2H3,(H,27,28)/b10-6+
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 1.00E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity for human PPAR delta receptor


Bioorg Med Chem Lett 13: 1517-21 (2003)


BindingDB Entry DOI: 10.7270/Q2VQ322G
More data for this
Ligand-Target Pair