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BDBM50200402 2-((S)-5-(3-(5-(5-acetyl-4-methylthiazol-2-yl)pyridin-2-yloxy)propoxy)-2,3-dihydro-1H-inden-1-yl)acetic acid::CHEMBL241063

SMILES: CC(=O)c1sc(nc1C)-c1ccc(OCCCOc2ccc3[C@H](CC(O)=O)CCc3c2)nc1

InChI Key: InChIKey=VZQYLUXYBCRPJQ-SFHVURJKSA-N

Data: 3 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 6 hits for monomerid = 50200402   
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 alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50200402
PNG
(2-((S)-5-(3-(5-(5-acetyl-4-methylthiazol-2-yl)pyri...)
Show SMILES CC(=O)c1sc(nc1C)-c1ccc(OCCCOc2ccc3[C@H](CC(O)=O)CCc3c2)nc1
Show InChI InChI=1S/C25H26N2O5S/c1-15-24(16(2)28)33-25(27-15)19-6-9-22(26-14-19)32-11-3-10-31-20-7-8-21-17(12-20)4-5-18(21)13-23(29)30/h6-9,12,14,18H,3-5,10-11,13H2,1-2H3,(H,29,30)/t18-/m0/s1
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n/an/a>6.00E+3n/an/an/an/an/an/a



Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Activity at human PPARalpha expressed in CV1 cells by GAL4 transactivation assay


Bioorg Med Chem Lett 17: 1056-61 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.025
BindingDB Entry DOI: 10.7270/Q2CF9PR2
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50200402
PNG
(2-((S)-5-(3-(5-(5-acetyl-4-methylthiazol-2-yl)pyri...)
Show SMILES CC(=O)c1sc(nc1C)-c1ccc(OCCCOc2ccc3[C@H](CC(O)=O)CCc3c2)nc1
Show InChI InChI=1S/C25H26N2O5S/c1-15-24(16(2)28)33-25(27-15)19-6-9-22(26-14-19)32-11-3-10-31-20-7-8-21-17(12-20)4-5-18(21)13-23(29)30/h6-9,12,14,18H,3-5,10-11,13H2,1-2H3,(H,29,30)/t18-/m0/s1
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n/an/a 56n/an/an/an/an/an/a



Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Activity at human PPARdelta expressed in CV1 cells by GAL4 transactivation assay


Bioorg Med Chem Lett 17: 1056-61 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.025
BindingDB Entry DOI: 10.7270/Q2CF9PR2
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Mus musculus)
BDBM50200402
PNG
(2-((S)-5-(3-(5-(5-acetyl-4-methylthiazol-2-yl)pyri...)
Show SMILES CC(=O)c1sc(nc1C)-c1ccc(OCCCOc2ccc3[C@H](CC(O)=O)CCc3c2)nc1
Show InChI InChI=1S/C25H26N2O5S/c1-15-24(16(2)28)33-25(27-15)19-6-9-22(26-14-19)32-11-3-10-31-20-7-8-21-17(12-20)4-5-18(21)13-23(29)30/h6-9,12,14,18H,3-5,10-11,13H2,1-2H3,(H,29,30)/t18-/m0/s1
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n/an/a 1.39E+3n/an/an/an/an/an/a



Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Activity at mouse PPARdelta expressed in CV1 cells by GAL4 transactivation assay


Bioorg Med Chem Lett 17: 1056-61 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.025
BindingDB Entry DOI: 10.7270/Q2CF9PR2
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Mus musculus)
BDBM50200402
PNG
(2-((S)-5-(3-(5-(5-acetyl-4-methylthiazol-2-yl)pyri...)
Show SMILES CC(=O)c1sc(nc1C)-c1ccc(OCCCOc2ccc3[C@H](CC(O)=O)CCc3c2)nc1
Show InChI InChI=1S/C25H26N2O5S/c1-15-24(16(2)28)33-25(27-15)19-6-9-22(26-14-19)32-11-3-10-31-20-7-8-21-17(12-20)4-5-18(21)13-23(29)30/h6-9,12,14,18H,3-5,10-11,13H2,1-2H3,(H,29,30)/t18-/m0/s1
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n/an/an/an/a 35n/an/an/an/a



Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Agonist activity at PPARgamma in mouse 3T3-L1 cells by IRBA


Bioorg Med Chem Lett 17: 1056-61 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.025
BindingDB Entry DOI: 10.7270/Q2CF9PR2
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50200402
PNG
(2-((S)-5-(3-(5-(5-acetyl-4-methylthiazol-2-yl)pyri...)
Show SMILES CC(=O)c1sc(nc1C)-c1ccc(OCCCOc2ccc3[C@H](CC(O)=O)CCc3c2)nc1
Show InChI InChI=1S/C25H26N2O5S/c1-15-24(16(2)28)33-25(27-15)19-6-9-22(26-14-19)32-11-3-10-31-20-7-8-21-17(12-20)4-5-18(21)13-23(29)30/h6-9,12,14,18H,3-5,10-11,13H2,1-2H3,(H,29,30)/t18-/m0/s1
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n/an/an/an/a 1.39E+3n/an/an/an/a



Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Agonist activity at human PPARalpha by FRET assay


Bioorg Med Chem Lett 17: 1056-61 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.025
BindingDB Entry DOI: 10.7270/Q2CF9PR2
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50200402
PNG
(2-((S)-5-(3-(5-(5-acetyl-4-methylthiazol-2-yl)pyri...)
Show SMILES CC(=O)c1sc(nc1C)-c1ccc(OCCCOc2ccc3[C@H](CC(O)=O)CCc3c2)nc1
Show InChI InChI=1S/C25H26N2O5S/c1-15-24(16(2)28)33-25(27-15)19-6-9-22(26-14-19)32-11-3-10-31-20-7-8-21-17(12-20)4-5-18(21)13-23(29)30/h6-9,12,14,18H,3-5,10-11,13H2,1-2H3,(H,29,30)/t18-/m0/s1
PDB

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antibodypedia
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PC sid
UniChem
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n/an/an/an/a 9n/an/an/an/a



Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Agonist activity at human PPARdelta by FRET assay


Bioorg Med Chem Lett 17: 1056-61 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.025
BindingDB Entry DOI: 10.7270/Q2CF9PR2
More data for this
Ligand-Target Pair