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Compile Data Set for Download or QSAR

Found 11 hits Enz. Inhib. hit(s) with Target = 'Peroxisome proliferator-activated receptor alpha' and Ligand = 'BDBM50109551'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/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))
BDBM50109551
PNG
((2S)-2-ETHOXY-3-{4-[2-(10H-PHENOXAZIN-10-YL)ETHOXY...)
Show SMILES CCO[C@@H](Cc1ccc(OCCN2c3ccccc3Oc3ccccc23)cc1)C(O)=O
Show InChI InChI=1S/C25H25NO5/c1-2-29-24(25(27)28)17-18-11-13-19(14-12-18)30-16-15-26-20-7-3-5-9-22(20)31-23-10-6-4-8-21(23)26/h3-14,24H,2,15-17H2,1H3,(H,27,28)/t24-/m0/s1
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980n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity for human peroxisome proliferator activated receptor alpha


J Med Chem 47: 4118-27 (2004)


Article DOI: 10.1021/jm030631e
BindingDB Entry DOI: 10.7270/Q2DR2TZ5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50109551
PNG
((2S)-2-ETHOXY-3-{4-[2-(10H-PHENOXAZIN-10-YL)ETHOXY...)
Show SMILES CCO[C@@H](Cc1ccc(OCCN2c3ccccc3Oc3ccccc23)cc1)C(O)=O
Show InChI InChI=1S/C25H25NO5/c1-2-29-24(25(27)28)17-18-11-13-19(14-12-18)30-16-15-26-20-7-3-5-9-22(20)31-23-10-6-4-8-21(23)26/h3-14,24H,2,15-17H2,1H3,(H,27,28)/t24-/m0/s1
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n/an/a 980n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Receptor binding affinity of the compound to human Peroxisome proliferator activated receptor alpha against [3H]-NNC 0061-4655 radioligand


J Med Chem 46: 1306-17 (2003)


Article DOI: 10.1021/jm021027r
BindingDB Entry DOI: 10.7270/Q2P55MWJ
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50109551
PNG
((2S)-2-ETHOXY-3-{4-[2-(10H-PHENOXAZIN-10-YL)ETHOXY...)
Show SMILES CCO[C@@H](Cc1ccc(OCCN2c3ccccc3Oc3ccccc23)cc1)C(O)=O
Show InChI InChI=1S/C25H25NO5/c1-2-29-24(25(27)28)17-18-11-13-19(14-12-18)30-16-15-26-20-7-3-5-9-22(20)31-23-10-6-4-8-21(23)26/h3-14,24H,2,15-17H2,1H3,(H,27,28)/t24-/m0/s1
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n/an/an/an/a 3.21E+3n/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
In vitro transactivation using receptor transactivation assay against hPPAR alpha


J Med Chem 45: 789-804 (2002)


BindingDB Entry DOI: 10.7270/Q2445KSG
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50109551
PNG
((2S)-2-ETHOXY-3-{4-[2-(10H-PHENOXAZIN-10-YL)ETHOXY...)
Show SMILES CCO[C@@H](Cc1ccc(OCCN2c3ccccc3Oc3ccccc23)cc1)C(O)=O
Show InChI InChI=1S/C25H25NO5/c1-2-29-24(25(27)28)17-18-11-13-19(14-12-18)30-16-15-26-20-7-3-5-9-22(20)31-23-10-6-4-8-21(23)26/h3-14,24H,2,15-17H2,1H3,(H,27,28)/t24-/m0/s1
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n/an/an/an/a 3.21E+3n/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
In vitro activation of human peroxisome proliferator activated receptor alpha


Bioorg Med Chem Lett 13: 257-60 (2002)


BindingDB Entry DOI: 10.7270/Q2FF3RQS
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50109551
PNG
((2S)-2-ETHOXY-3-{4-[2-(10H-PHENOXAZIN-10-YL)ETHOXY...)
Show SMILES CCO[C@@H](Cc1ccc(OCCN2c3ccccc3Oc3ccccc23)cc1)C(O)=O
Show InChI InChI=1S/C25H25NO5/c1-2-29-24(25(27)28)17-18-11-13-19(14-12-18)30-16-15-26-20-7-3-5-9-22(20)31-23-10-6-4-8-21(23)26/h3-14,24H,2,15-17H2,1H3,(H,27,28)/t24-/m0/s1
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n/an/an/an/a 3.20E+3n/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Agonistic activity of the compound for Peroxisome proliferator activated receptor alpha


J Med Chem 46: 1306-17 (2003)


Article DOI: 10.1021/jm021027r
BindingDB Entry DOI: 10.7270/Q2P55MWJ
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50109551
PNG
((2S)-2-ETHOXY-3-{4-[2-(10H-PHENOXAZIN-10-YL)ETHOXY...)
Show SMILES CCO[C@@H](Cc1ccc(OCCN2c3ccccc3Oc3ccccc23)cc1)C(O)=O
Show InChI InChI=1S/C25H25NO5/c1-2-29-24(25(27)28)17-18-11-13-19(14-12-18)30-16-15-26-20-7-3-5-9-22(20)31-23-10-6-4-8-21(23)26/h3-14,24H,2,15-17H2,1H3,(H,27,28)/t24-/m0/s1
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n/an/an/an/a 3.24E+3n/an/an/an/a


TBA

Assay Description
Transactivation of Homo sapiens (human) PPARalpha assessed as luciferase activity by reporter gene assay


Citation and Details

Article DOI: 10.1007/s00044-011-9818-7
BindingDB Entry DOI: 10.7270/Q2R49TNP
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50109551
PNG
((2S)-2-ETHOXY-3-{4-[2-(10H-PHENOXAZIN-10-YL)ETHOXY...)
Show SMILES CCO[C@@H](Cc1ccc(OCCN2c3ccccc3Oc3ccccc23)cc1)C(O)=O
Show InChI InChI=1S/C25H25NO5/c1-2-29-24(25(27)28)17-18-11-13-19(14-12-18)30-16-15-26-20-7-3-5-9-22(20)31-23-10-6-4-8-21(23)26/h3-14,24H,2,15-17H2,1H3,(H,27,28)/t24-/m0/s1
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n/an/an/an/a 3.21E+3n/an/an/an/a


TBA

Assay Description
Transactivation of GAL4-fused Homo sapiens (human) PPARalpha DNA binding domain expressed in African green monkey CV1 cells by luciferase reporter ge...


Citation and Details

Article DOI: 10.1007/s00044-012-0003-4
BindingDB Entry DOI: 10.7270/Q280544F
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50109551
PNG
((2S)-2-ETHOXY-3-{4-[2-(10H-PHENOXAZIN-10-YL)ETHOXY...)
Show SMILES CCO[C@@H](Cc1ccc(OCCN2c3ccccc3Oc3ccccc23)cc1)C(O)=O
Show InChI InChI=1S/C25H25NO5/c1-2-29-24(25(27)28)17-18-11-13-19(14-12-18)30-16-15-26-20-7-3-5-9-22(20)31-23-10-6-4-8-21(23)26/h3-14,24H,2,15-17H2,1H3,(H,27,28)/t24-/m0/s1
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n/an/an/an/a 3.20E+3n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Effective concentration against human peroxisome proliferator activated receptor alpha in Gal4 transactivation assay


J Med Chem 47: 4118-27 (2004)


Article DOI: 10.1021/jm030631e
BindingDB Entry DOI: 10.7270/Q2DR2TZ5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50109551
PNG
((2S)-2-ETHOXY-3-{4-[2-(10H-PHENOXAZIN-10-YL)ETHOXY...)
Show SMILES CCO[C@@H](Cc1ccc(OCCN2c3ccccc3Oc3ccccc23)cc1)C(O)=O
Show InChI InChI=1S/C25H25NO5/c1-2-29-24(25(27)28)17-18-11-13-19(14-12-18)30-16-15-26-20-7-3-5-9-22(20)31-23-10-6-4-8-21(23)26/h3-14,24H,2,15-17H2,1H3,(H,27,28)/t24-/m0/s1
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n/an/an/an/a 3.20E+3n/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at GAL4-fused PPARalpha assessed as transcriptional activity by cell based assay


Bioorg Med Chem Lett 22: 7075-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.092
BindingDB Entry DOI: 10.7270/Q2HM59M5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50109551
PNG
((2S)-2-ETHOXY-3-{4-[2-(10H-PHENOXAZIN-10-YL)ETHOXY...)
Show SMILES CCO[C@@H](Cc1ccc(OCCN2c3ccccc3Oc3ccccc23)cc1)C(O)=O
Show InChI InChI=1S/C25H25NO5/c1-2-29-24(25(27)28)17-18-11-13-19(14-12-18)30-16-15-26-20-7-3-5-9-22(20)31-23-10-6-4-8-21(23)26/h3-14,24H,2,15-17H2,1H3,(H,27,28)/t24-/m0/s1
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n/an/an/an/a 2.80E+3n/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Ability to displace [3H]quipazine binding to 5-hydroxytryptamine 3 receptor sites in NG 108-15.


Bioorg Med Chem Lett 27: 3131-3134 (2017)


Article DOI: 10.1016/j.bmcl.2017.05.037
BindingDB Entry DOI: 10.7270/Q20867QZ
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50109551
PNG
((2S)-2-ETHOXY-3-{4-[2-(10H-PHENOXAZIN-10-YL)ETHOXY...)
Show SMILES CCO[C@@H](Cc1ccc(OCCN2c3ccccc3Oc3ccccc23)cc1)C(O)=O
Show InChI InChI=1S/C25H25NO5/c1-2-29-24(25(27)28)17-18-11-13-19(14-12-18)30-16-15-26-20-7-3-5-9-22(20)31-23-10-6-4-8-21(23)26/h3-14,24H,2,15-17H2,1H3,(H,27,28)/t24-/m0/s1
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n/an/an/an/a 3.21E+3n/an/an/an/a


TBA

Assay Description
Transactivation of GAL4-fused Homo sapiens (human) PPARalpha DNA binding domain expressed in African green monkey CV1 cells by luciferase reporter ge...


Citation and Details

Article DOI: 10.1007/s00044-012-0003-4
BindingDB Entry DOI: 10.7270/Q280544F
More data for this
Ligand-Target Pair