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SMILES: CCCc1cc(ccc1OCCCOc1ccc2[C@H](CC(O)=O)CCc2c1)-c1nc(CO)c(s1)C(O)=O

InChI Key: InChIKey=DZROKMVTHSSOLL-SFHVURJKSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 21814   
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))
BDBM21814
PNG
(2-[4-(3-{[(1S)-1-(carboxymethyl)-2,3-dihydro-1H-in...)
Show SMILES CCCc1cc(ccc1OCCCOc1ccc2[C@H](CC(O)=O)CCc2c1)-c1nc(CO)c(s1)C(O)=O |r|
Show InChI InChI=1S/C28H31NO7S/c1-2-4-19-13-20(27-29-23(16-30)26(37-27)28(33)34)7-10-24(19)36-12-3-11-35-21-8-9-22-17(14-21)5-6-18(22)15-25(31)32/h7-10,13-14,18,30H,2-6,11-12,15-16H2,1H3,(H,31,32)(H,33,34)/t18-/m0/s1
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Article
PubMed
n/an/an/an/a 6.49E+3n/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))
BDBM21814
PNG
(2-[4-(3-{[(1S)-1-(carboxymethyl)-2,3-dihydro-1H-in...)
Show SMILES CCCc1cc(ccc1OCCCOc1ccc2[C@H](CC(O)=O)CCc2c1)-c1nc(CO)c(s1)C(O)=O |r|
Show InChI InChI=1S/C28H31NO7S/c1-2-4-19-13-20(27-29-23(16-30)26(37-27)28(33)34)7-10-24(19)36-12-3-11-35-21-8-9-22-17(14-21)5-6-18(22)15-25(31)32/h7-10,13-14,18,30H,2-6,11-12,15-16H2,1H3,(H,31,32)(H,33,34)/t18-/m0/s1
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Article
PubMed
n/an/an/an/a 12n/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 alpha


(Homo sapiens (Human))
BDBM21814
PNG
(2-[4-(3-{[(1S)-1-(carboxymethyl)-2,3-dihydro-1H-in...)
Show SMILES CCCc1cc(ccc1OCCCOc1ccc2[C@H](CC(O)=O)CCc2c1)-c1nc(CO)c(s1)C(O)=O |r|
Show InChI InChI=1S/C28H31NO7S/c1-2-4-19-13-20(27-29-23(16-30)26(37-27)28(33)34)7-10-24(19)36-12-3-11-35-21-8-9-22-17(14-21)5-6-18(22)15-25(31)32/h7-10,13-14,18,30H,2-6,11-12,15-16H2,1H3,(H,31,32)(H,33,34)/t18-/m0/s1
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Article
n/an/an/an/a 1.54E+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))
BDBM21814
PNG
(2-[4-(3-{[(1S)-1-(carboxymethyl)-2,3-dihydro-1H-in...)
Show SMILES CCCc1cc(ccc1OCCCOc1ccc2[C@H](CC(O)=O)CCc2c1)-c1nc(CO)c(s1)C(O)=O |r|
Show InChI InChI=1S/C28H31NO7S/c1-2-4-19-13-20(27-29-23(16-30)26(37-27)28(33)34)7-10-24(19)36-12-3-11-35-21-8-9-22-17(14-21)5-6-18(22)15-25(31)32/h7-10,13-14,18,30H,2-6,11-12,15-16H2,1H3,(H,31,32)(H,33,34)/t18-/m0/s1
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Article
n/an/an/an/a 1.15E+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))
BDBM21814
PNG
(2-[4-(3-{[(1S)-1-(carboxymethyl)-2,3-dihydro-1H-in...)
Show SMILES CCCc1cc(ccc1OCCCOc1ccc2[C@H](CC(O)=O)CCc2c1)-c1nc(CO)c(s1)C(O)=O |r|
Show InChI InChI=1S/C28H31NO7S/c1-2-4-19-13-20(27-29-23(16-30)26(37-27)28(33)34)7-10-24(19)36-12-3-11-35-21-8-9-22-17(14-21)5-6-18(22)15-25(31)32/h7-10,13-14,18,30H,2-6,11-12,15-16H2,1H3,(H,31,32)(H,33,34)/t18-/m0/s1
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NCI pathway
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KEGG

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UniChem

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Article
PubMed
n/an/an/an/a 891n/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