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BDBM21766 2-[(1S)-5-[3-(2-propylphenoxy)propoxy]-2,3-dihydro-1H-inden-1-yl]acetic acid::Indanylacetic Acid Analog, 17m

SMILES: CCCc1ccccc1OCCCOc1ccc2[C@H](CC(O)=O)CCc2c1

InChI Key: InChIKey=YWWBTQCQZFKBMY-IBGZPJMESA-N

Data: 5 EC50

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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 = 21766   
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))
BDBM21766
PNG
(2-[(1S)-5-[3-(2-propylphenoxy)propoxy]-2,3-dihydro...)
Show SMILES CCCc1ccccc1OCCCOc1ccc2[C@H](CC(O)=O)CCc2c1 |r|
Show InChI InChI=1S/C23H28O4/c1-2-6-17-7-3-4-8-22(17)27-14-5-13-26-20-11-12-21-18(15-20)9-10-19(21)16-23(24)25/h3-4,7-8,11-12,15,19H,2,5-6,9-10,13-14,16H2,1H3,(H,24,25)/t19-/m0/s1
PDB

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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 delta


(Homo sapiens (Human))
BDBM21766
PNG
(2-[(1S)-5-[3-(2-propylphenoxy)propoxy]-2,3-dihydro...)
Show SMILES CCCc1ccccc1OCCCOc1ccc2[C@H](CC(O)=O)CCc2c1 |r|
Show InChI InChI=1S/C23H28O4/c1-2-6-17-7-3-4-8-22(17)27-14-5-13-26-20-11-12-21-18(15-20)9-10-19(21)16-23(24)25/h3-4,7-8,11-12,15,19H,2,5-6,9-10,13-14,16H2,1H3,(H,24,25)/t19-/m0/s1
PDB

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Article
PubMed
n/an/an/an/a 2.40n/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 gamma


(Homo sapiens (Human))
BDBM21766
PNG
(2-[(1S)-5-[3-(2-propylphenoxy)propoxy]-2,3-dihydro...)
Show SMILES CCCc1ccccc1OCCCOc1ccc2[C@H](CC(O)=O)CCc2c1 |r|
Show InChI InChI=1S/C23H28O4/c1-2-6-17-7-3-4-8-22(17)27-14-5-13-26-20-11-12-21-18(15-20)9-10-19(21)16-23(24)25/h3-4,7-8,11-12,15,19H,2,5-6,9-10,13-14,16H2,1H3,(H,24,25)/t19-/m0/s1
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KEGG

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Article
n/an/an/an/a 6.61E+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 delta


(Homo sapiens (Human))
BDBM21766
PNG
(2-[(1S)-5-[3-(2-propylphenoxy)propoxy]-2,3-dihydro...)
Show SMILES CCCc1ccccc1OCCCOc1ccc2[C@H](CC(O)=O)CCc2c1 |r|
Show InChI InChI=1S/C23H28O4/c1-2-6-17-7-3-4-8-22(17)27-14-5-13-26-20-11-12-21-18(15-20)9-10-19(21)16-23(24)25/h3-4,7-8,11-12,15,19H,2,5-6,9-10,13-14,16H2,1H3,(H,24,25)/t19-/m0/s1
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Article
n/an/an/an/a 4.17E+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 gamma


(Homo sapiens (Human))
BDBM21766
PNG
(2-[(1S)-5-[3-(2-propylphenoxy)propoxy]-2,3-dihydro...)
Show SMILES CCCc1ccccc1OCCCOc1ccc2[C@H](CC(O)=O)CCc2c1 |r|
Show InChI InChI=1S/C23H28O4/c1-2-6-17-7-3-4-8-22(17)27-14-5-13-26-20-11-12-21-18(15-20)9-10-19(21)16-23(24)25/h3-4,7-8,11-12,15,19H,2,5-6,9-10,13-14,16H2,1H3,(H,24,25)/t19-/m0/s1
PDB
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NCI pathway
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KEGG

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PC sid
UniChem

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Article
PubMed
n/an/an/an/a 1.52E+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