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SMILES: OC(=O)C[C@@H]1CCc2cc(OCCCOc3ccc(cc3)-c3ccoc3)ccc12

InChI Key: InChIKey=IAMMTNGYAQSZKR-IBGZPJMESA-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 = 21779   
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))
BDBM21779
PNG
(2-[(1S)-5-{3-[4-(furan-3-yl)phenoxy]propoxy}-2,3-d...)
Show SMILES OC(=O)C[C@@H]1CCc2cc(OCCCOc3ccc(cc3)-c3ccoc3)ccc12 |r|
Show InChI InChI=1S/C24H24O5/c25-24(26)15-19-3-2-18-14-22(8-9-23(18)19)29-12-1-11-28-21-6-4-17(5-7-21)20-10-13-27-16-20/h4-10,13-14,16,19H,1-3,11-12,15H2,(H,25,26)/t19-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
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UniChem

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Article
PubMed
n/an/an/an/a 3.27E+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))
BDBM21779
PNG
(2-[(1S)-5-{3-[4-(furan-3-yl)phenoxy]propoxy}-2,3-d...)
Show SMILES OC(=O)C[C@@H]1CCc2cc(OCCCOc3ccc(cc3)-c3ccoc3)ccc12 |r|
Show InChI InChI=1S/C24H24O5/c25-24(26)15-19-3-2-18-14-22(8-9-23(18)19)29-12-1-11-28-21-6-4-17(5-7-21)20-10-13-27-16-20/h4-10,13-14,16,19H,1-3,11-12,15H2,(H,25,26)/t19-/m0/s1
PDB

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antibodypedia
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PC sid
UniChem

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Article
PubMed
n/an/an/an/a 3.80n/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))
BDBM21779
PNG
(2-[(1S)-5-{3-[4-(furan-3-yl)phenoxy]propoxy}-2,3-d...)
Show SMILES OC(=O)C[C@@H]1CCc2cc(OCCCOc3ccc(cc3)-c3ccoc3)ccc12 |r|
Show InChI InChI=1S/C24H24O5/c25-24(26)15-19-3-2-18-14-22(8-9-23(18)19)29-12-1-11-28-21-6-4-17(5-7-21)20-10-13-27-16-20/h4-10,13-14,16,19H,1-3,11-12,15H2,(H,25,26)/t19-/m0/s1
PDB

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antibodypedia
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UniChem

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Article
n/an/an/an/a 2.63E+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))
BDBM21779
PNG
(2-[(1S)-5-{3-[4-(furan-3-yl)phenoxy]propoxy}-2,3-d...)
Show SMILES OC(=O)C[C@@H]1CCc2cc(OCCCOc3ccc(cc3)-c3ccoc3)ccc12 |r|
Show InChI InChI=1S/C24H24O5/c25-24(26)15-19-3-2-18-14-22(8-9-23(18)19)29-12-1-11-28-21-6-4-17(5-7-21)20-10-13-27-16-20/h4-10,13-14,16,19H,1-3,11-12,15H2,(H,25,26)/t19-/m0/s1
PDB

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antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem

Similars

Article
n/an/an/an/a 3.06E+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))
BDBM21779
PNG
(2-[(1S)-5-{3-[4-(furan-3-yl)phenoxy]propoxy}-2,3-d...)
Show SMILES OC(=O)C[C@@H]1CCc2cc(OCCCOc3ccc(cc3)-c3ccoc3)ccc12 |r|
Show InChI InChI=1S/C24H24O5/c25-24(26)15-19-3-2-18-14-22(8-9-23(18)19)29-12-1-11-28-21-6-4-17(5-7-21)20-10-13-27-16-20/h4-10,13-14,16,19H,1-3,11-12,15H2,(H,25,26)/t19-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
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PC cid
PC sid
UniChem

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Article
n/an/an/an/a 2.45E+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))
BDBM21779
PNG
(2-[(1S)-5-{3-[4-(furan-3-yl)phenoxy]propoxy}-2,3-d...)
Show SMILES OC(=O)C[C@@H]1CCc2cc(OCCCOc3ccc(cc3)-c3ccoc3)ccc12 |r|
Show InChI InChI=1S/C24H24O5/c25-24(26)15-19-3-2-18-14-22(8-9-23(18)19)29-12-1-11-28-21-6-4-17(5-7-21)20-10-13-27-16-20/h4-10,13-14,16,19H,1-3,11-12,15H2,(H,25,26)/t19-/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 4.10E+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