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SMILES: Cc1ccc(OCCCOc2ccc3[C@H](CC(O)=O)CCc3c2)c(C)c1

InChI Key: InChIKey=XNQKRHGPWPVZTM-SFHVURJKSA-N

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 = 21765   
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


(Homo sapiens (Human))
BDBM21765
PNG
(2-[(1S)-5-[3-(2,4-dimethylphenoxy)propoxy]-2,3-dih...)
Show SMILES Cc1ccc(OCCCOc2ccc3[C@H](CC(O)=O)CCc3c2)c(C)c1 |r|
Show InChI InChI=1S/C22H26O4/c1-15-4-9-21(16(2)12-15)26-11-3-10-25-19-7-8-20-17(13-19)5-6-18(20)14-22(23)24/h4,7-9,12-13,18H,3,5-6,10-11,14H2,1-2H3,(H,23,24)/t18-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
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Article
PubMed
n/an/an/an/a 9.36E+3n/an/a7.422



Bayer HealthCare Pharmaceuticals Corporation



Assay Description
Activity was assessed by measuring the human PPAR ligand binding domain with the co-activator protein. Europium labeled anti-GST antibody, streptavid...


J Med Chem 50: 984-1000 (2007)


Article DOI: 10.1021/jm061299k
BindingDB Entry DOI: 10.7270/Q2NK3C93
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM21765
PNG
(2-[(1S)-5-[3-(2,4-dimethylphenoxy)propoxy]-2,3-dih...)
Show SMILES Cc1ccc(OCCCOc2ccc3[C@H](CC(O)=O)CCc3c2)c(C)c1 |r|
Show InChI InChI=1S/C22H26O4/c1-15-4-9-21(16(2)12-15)26-11-3-10-25-19-7-8-20-17(13-19)5-6-18(20)14-22(23)24/h4,7-9,12-13,18H,3,5-6,10-11,14H2,1-2H3,(H,23,24)/t18-/m0/s1
PDB

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antibodypedia
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Article
PubMed
n/an/an/an/a 4.60n/an/an/a25



Bayer HealthCare Pharmaceuticals Corporation



Assay Description
Activity was assessed by measuring the human PPAR ligand binding domain with the co-activator protein. Europium labeled anti-GST antibody, streptavid...


J Med Chem 50: 984-1000 (2007)


Article DOI: 10.1021/jm061299k
BindingDB Entry DOI: 10.7270/Q2NK3C93
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM21765
PNG
(2-[(1S)-5-[3-(2,4-dimethylphenoxy)propoxy]-2,3-dih...)
Show SMILES Cc1ccc(OCCCOc2ccc3[C@H](CC(O)=O)CCc3c2)c(C)c1 |r|
Show InChI InChI=1S/C22H26O4/c1-15-4-9-21(16(2)12-15)26-11-3-10-25-19-7-8-20-17(13-19)5-6-18(20)14-22(23)24/h4,7-9,12-13,18H,3,5-6,10-11,14H2,1-2H3,(H,23,24)/t18-/m0/s1
PDB

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antibodypedia
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Article
n/an/an/an/a 2.17E+8n/an/an/an/a


TBA

Assay Description
Agonist activity at GST-tagged Homo sapiens (human) PPARdelta ligand binding domain after 2 hr by FRET assay


Citation and Details

Article DOI: 10.1007/s00044-011-9599-z
BindingDB Entry DOI: 10.7270/Q22J6FR8
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM21765
PNG
(2-[(1S)-5-[3-(2,4-dimethylphenoxy)propoxy]-2,3-dih...)
Show SMILES Cc1ccc(OCCCOc2ccc3[C@H](CC(O)=O)CCc3c2)c(C)c1 |r|
Show InChI InChI=1S/C22H26O4/c1-15-4-9-21(16(2)12-15)26-11-3-10-25-19-7-8-20-17(13-19)5-6-18(20)14-22(23)24/h4,7-9,12-13,18H,3,5-6,10-11,14H2,1-2H3,(H,23,24)/t18-/m0/s1
PDB

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antibodypedia
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Article
n/an/an/an/a 1.07E+5n/an/an/an/a


TBA

Assay Description
Agonist activity at GST-tagged Homo sapiens (human) PPARalpha ligand binding domain after 2 hr by FRET assay


Citation and Details

Article DOI: 10.1007/s00044-011-9599-z
BindingDB Entry DOI: 10.7270/Q22J6FR8
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM21765
PNG
(2-[(1S)-5-[3-(2,4-dimethylphenoxy)propoxy]-2,3-dih...)
Show SMILES Cc1ccc(OCCCOc2ccc3[C@H](CC(O)=O)CCc3c2)c(C)c1 |r|
Show InChI InChI=1S/C22H26O4/c1-15-4-9-21(16(2)12-15)26-11-3-10-25-19-7-8-20-17(13-19)5-6-18(20)14-22(23)24/h4,7-9,12-13,18H,3,5-6,10-11,14H2,1-2H3,(H,23,24)/t18-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
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PC sid
UniChem

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Article
n/an/an/an/a 4.68E+5n/an/an/an/a


TBA

Assay Description
Agonist activity at Homo sapiens (human) PPARgamma expressed in mouse 3T3-L1 cells incubated for 2 days followed by compound wash out measured after ...


Citation and Details

Article DOI: 10.1007/s00044-011-9599-z
BindingDB Entry DOI: 10.7270/Q22J6FR8
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM21765
PNG
(2-[(1S)-5-[3-(2,4-dimethylphenoxy)propoxy]-2,3-dih...)
Show SMILES Cc1ccc(OCCCOc2ccc3[C@H](CC(O)=O)CCc3c2)c(C)c1 |r|
Show InChI InChI=1S/C22H26O4/c1-15-4-9-21(16(2)12-15)26-11-3-10-25-19-7-8-20-17(13-19)5-6-18(20)14-22(23)24/h4,7-9,12-13,18H,3,5-6,10-11,14H2,1-2H3,(H,23,24)/t18-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/an/an/a 2.18E+3n/an/an/a25



Bayer HealthCare Pharmaceuticals Corporation



Assay Description
PPAR gamma activity was assessed by using the IRBA in mouse 3T3-L1 cells. This assay measures the ability of test compound to cause an increase in th...


J Med Chem 50: 984-1000 (2007)


Article DOI: 10.1021/jm061299k
BindingDB Entry DOI: 10.7270/Q2NK3C93
More data for this
Ligand-Target Pair