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SMILES: COc1ccncc1-c1ccc(OCCCOc2ccc3[C@H](CC(O)=O)CCc3c2)cc1

InChI Key: InChIKey=HVUXJWMRVBQKNL-FQEVSTJZSA-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 4 hits for monomerid = 21782   
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))
BDBM21782
PNG
(2-[(1S)-5-{3-[4-(4-methoxypyridin-3-yl)phenoxy]pro...)
Show SMILES COc1ccncc1-c1ccc(OCCCOc2ccc3[C@H](CC(O)=O)CCc3c2)cc1 |r|
Show InChI InChI=1S/C26H27NO5/c1-30-25-11-12-27-17-24(25)18-5-7-21(8-6-18)31-13-2-14-32-22-9-10-23-19(15-22)3-4-20(23)16-26(28)29/h5-12,15,17,20H,2-4,13-14,16H2,1H3,(H,28,29)/t20-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
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PC cid
PC sid
UniChem

Similars

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


(Homo sapiens (Human))
BDBM21782
PNG
(2-[(1S)-5-{3-[4-(4-methoxypyridin-3-yl)phenoxy]pro...)
Show SMILES COc1ccncc1-c1ccc(OCCCOc2ccc3[C@H](CC(O)=O)CCc3c2)cc1 |r|
Show InChI InChI=1S/C26H27NO5/c1-30-25-11-12-27-17-24(25)18-5-7-21(8-6-18)31-13-2-14-32-22-9-10-23-19(15-22)3-4-20(23)16-26(28)29/h5-12,15,17,20H,2-4,13-14,16H2,1H3,(H,28,29)/t20-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem

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Article
n/an/an/an/a 2.09E+6n/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))
BDBM21782
PNG
(2-[(1S)-5-{3-[4-(4-methoxypyridin-3-yl)phenoxy]pro...)
Show SMILES COc1ccncc1-c1ccc(OCCCOc2ccc3[C@H](CC(O)=O)CCc3c2)cc1 |r|
Show InChI InChI=1S/C26H27NO5/c1-30-25-11-12-27-17-24(25)18-5-7-21(8-6-18)31-13-2-14-32-22-9-10-23-19(15-22)3-4-20(23)16-26(28)29/h5-12,15,17,20H,2-4,13-14,16H2,1H3,(H,28,29)/t20-/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 485n/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
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM21782
PNG
(2-[(1S)-5-{3-[4-(4-methoxypyridin-3-yl)phenoxy]pro...)
Show SMILES COc1ccncc1-c1ccc(OCCCOc2ccc3[C@H](CC(O)=O)CCc3c2)cc1 |r|
Show InChI InChI=1S/C26H27NO5/c1-30-25-11-12-27-17-24(25)18-5-7-21(8-6-18)31-13-2-14-32-22-9-10-23-19(15-22)3-4-20(23)16-26(28)29/h5-12,15,17,20H,2-4,13-14,16H2,1H3,(H,28,29)/t20-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 43n/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