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BDBM21754 2-[(1S)-5-[3-(4-ethylphenoxy)propoxy]-2,3-dihydro-1H-inden-1-yl]acetic acid::Indanylacetic Acid Analog, 17b

SMILES: CCc1ccc(OCCCOc2ccc3[C@H](CC(O)=O)CCc3c2)cc1

InChI Key: InChIKey=LYPKERHLQHPCFM-SFHVURJKSA-N

Data: 6 EC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 21754   
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))
BDBM21754
PNG
(2-[(1S)-5-[3-(4-ethylphenoxy)propoxy]-2,3-dihydro-...)
Show SMILES CCc1ccc(OCCCOc2ccc3[C@H](CC(O)=O)CCc3c2)cc1 |r|
Show InChI InChI=1S/C22H26O4/c1-2-16-4-8-19(9-5-16)25-12-3-13-26-20-10-11-21-17(14-20)6-7-18(21)15-22(23)24/h4-5,8-11,14,18H,2-3,6-7,12-13,15H2,1H3,(H,23,24)/t18-/m0/s1
PDB

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antibodypedia
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Article
PubMed
n/an/an/an/a 1.98E+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))
BDBM21754
PNG
(2-[(1S)-5-[3-(4-ethylphenoxy)propoxy]-2,3-dihydro-...)
Show SMILES CCc1ccc(OCCCOc2ccc3[C@H](CC(O)=O)CCc3c2)cc1 |r|
Show InChI InChI=1S/C22H26O4/c1-2-16-4-8-19(9-5-16)25-12-3-13-26-20-10-11-21-17(14-20)6-7-18(21)15-22(23)24/h4-5,8-11,14,18H,2-3,6-7,12-13,15H2,1H3,(H,23,24)/t18-/m0/s1
PDB

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antibodypedia
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Article
PubMed
n/an/an/an/a 8.90n/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))
BDBM21754
PNG
(2-[(1S)-5-[3-(4-ethylphenoxy)propoxy]-2,3-dihydro-...)
Show SMILES CCc1ccc(OCCCOc2ccc3[C@H](CC(O)=O)CCc3c2)cc1 |r|
Show InChI InChI=1S/C22H26O4/c1-2-16-4-8-19(9-5-16)25-12-3-13-26-20-10-11-21-17(14-20)6-7-18(21)15-22(23)24/h4-5,8-11,14,18H,2-3,6-7,12-13,15H2,1H3,(H,23,24)/t18-/m0/s1
PDB

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antibodypedia
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Article
n/an/an/an/a 1.12E+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))
BDBM21754
PNG
(2-[(1S)-5-[3-(4-ethylphenoxy)propoxy]-2,3-dihydro-...)
Show SMILES CCc1ccc(OCCCOc2ccc3[C@H](CC(O)=O)CCc3c2)cc1 |r|
Show InChI InChI=1S/C22H26O4/c1-2-16-4-8-19(9-5-16)25-12-3-13-26-20-10-11-21-17(14-20)6-7-18(21)15-22(23)24/h4-5,8-11,14,18H,2-3,6-7,12-13,15H2,1H3,(H,23,24)/t18-/m0/s1
PDB
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KEGG

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Article
n/an/an/an/a 1.62E+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 alpha


(Homo sapiens (Human))
BDBM21754
PNG
(2-[(1S)-5-[3-(4-ethylphenoxy)propoxy]-2,3-dihydro-...)
Show SMILES CCc1ccc(OCCCOc2ccc3[C@H](CC(O)=O)CCc3c2)cc1 |r|
Show InChI InChI=1S/C22H26O4/c1-2-16-4-8-19(9-5-16)25-12-3-13-26-20-10-11-21-17(14-20)6-7-18(21)15-22(23)24/h4-5,8-11,14,18H,2-3,6-7,12-13,15H2,1H3,(H,23,24)/t18-/m0/s1
PDB

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antibodypedia
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UniChem

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Article
n/an/an/an/a 5.05E+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))
BDBM21754
PNG
(2-[(1S)-5-[3-(4-ethylphenoxy)propoxy]-2,3-dihydro-...)
Show SMILES CCc1ccc(OCCCOc2ccc3[C@H](CC(O)=O)CCc3c2)cc1 |r|
Show InChI InChI=1S/C22H26O4/c1-2-16-4-8-19(9-5-16)25-12-3-13-26-20-10-11-21-17(14-20)6-7-18(21)15-22(23)24/h4-5,8-11,14,18H,2-3,6-7,12-13,15H2,1H3,(H,23,24)/t18-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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antibodypedia
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PC cid
PC sid
UniChem

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Article
PubMed
n/an/an/an/a 6.20E+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