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5 similar compounds to monomer 50181902

Compile data set for download or QSAR
Wt: 479.5
BDBM50181906
Wt: 447.4
BDBM50181908
Wt: 489.5
BDBM50181910
Wt: 479.5
BDBM50181912
Wt: 447.4
BDBM50181913

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 21 hits for monomerid = 50181906,50181908,50181910,50181912,50181913   
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


(Homo sapiens (Human))
BDBM50181906
PNG
(2-(4-(3-(6-benzoylnaphthalen-2-yloxy)propoxy)-1H-i...)
Show SMILES OC(=O)Cn1ccc2c(OCCCOc3ccc4cc(ccc4c3)C(=O)c3ccccc3)cccc12
Show InChI InChI=1S/C30H25NO5/c32-29(33)20-31-15-14-26-27(31)8-4-9-28(26)36-17-5-16-35-25-13-12-22-18-24(11-10-23(22)19-25)30(34)21-6-2-1-3-7-21/h1-4,6-15,18-19H,5,16-17,20H2,(H,32,33)
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n/an/a 2.71E+3n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Displacement of [3H]rosiglitazone from human PPAR gamma by SPA assay


J Med Chem 49: 1212-6 (2006)


Article DOI: 10.1021/jm0510373
BindingDB Entry DOI: 10.7270/Q2QV3M3P
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50181910
PNG
(2-(6-(3-(4-(4-fluorobenzoyl)-2-propylphenoxy)propo...)
Show SMILES CCCc1cc(ccc1OCCCOc1ccc2ccn(CC(O)=O)c2c1)C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C29H28FNO5/c1-2-4-22-17-23(29(34)21-5-9-24(30)10-6-21)8-12-27(22)36-16-3-15-35-25-11-7-20-13-14-31(19-28(32)33)26(20)18-25/h5-14,17-18H,2-4,15-16,19H2,1H3,(H,32,33)
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n/an/a 1.29E+3n/an/an/an/an/an/a



Universidad Nacional Aut£noma de M£xico

Curated by ChEMBL


Assay Description
Agonist activity at PPARgamma


Bioorg Med Chem 20: 3523-32 (2012)


Article DOI: 10.1016/j.bmc.2012.04.005
BindingDB Entry DOI: 10.7270/Q2MP54B4
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50181912
PNG
(2-(6-(3-(6-benzoylnaphthalen-2-yloxy)propoxy)-1H-i...)
Show SMILES OC(=O)Cn1ccc2ccc(OCCCOc3ccc4cc(ccc4c3)C(=O)c3ccccc3)cc12
Show InChI InChI=1S/C30H25NO5/c32-29(33)20-31-14-13-21-9-11-27(19-28(21)31)36-16-4-15-35-26-12-10-23-17-25(8-7-24(23)18-26)30(34)22-5-2-1-3-6-22/h1-3,5-14,17-19H,4,15-16,20H2,(H,32,33)
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n/an/a 1.58E+3n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Displacement of [3H]rosiglitazone from human PPAR gamma by SPA assay


J Med Chem 49: 1212-6 (2006)


Article DOI: 10.1021/jm0510373
BindingDB Entry DOI: 10.7270/Q2QV3M3P
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50181908
PNG
(2-(4-(3-(4-(4-fluorobenzoyl)phenoxy)propoxy)-1H-in...)
Show SMILES OC(=O)Cn1ccc2c(OCCCOc3ccc(cc3)C(=O)c3ccc(F)cc3)cccc12
Show InChI InChI=1S/C26H22FNO5/c27-20-9-5-18(6-10-20)26(31)19-7-11-21(12-8-19)32-15-2-16-33-24-4-1-3-23-22(24)13-14-28(23)17-25(29)30/h1,3-14H,2,15-17H2,(H,29,30)
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n/an/a 1.02E+3n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Displacement of [3H]L-783,483 from human PPAR alpha by SPA assay


J Med Chem 49: 1212-6 (2006)


Article DOI: 10.1021/jm0510373
BindingDB Entry DOI: 10.7270/Q2QV3M3P
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50181912
PNG
(2-(6-(3-(6-benzoylnaphthalen-2-yloxy)propoxy)-1H-i...)
Show SMILES OC(=O)Cn1ccc2ccc(OCCCOc3ccc4cc(ccc4c3)C(=O)c3ccccc3)cc12
Show InChI InChI=1S/C30H25NO5/c32-29(33)20-31-14-13-21-9-11-27(19-28(21)31)36-16-4-15-35-26-12-10-23-17-25(8-7-24(23)18-26)30(34)22-5-2-1-3-6-22/h1-3,5-14,17-19H,4,15-16,20H2,(H,32,33)
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n/an/a 4.49E+3n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Displacement of [3H]L-783,483 from human PPAR alpha by SPA assay


J Med Chem 49: 1212-6 (2006)


Article DOI: 10.1021/jm0510373
BindingDB Entry DOI: 10.7270/Q2QV3M3P
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50181908
PNG
(2-(4-(3-(4-(4-fluorobenzoyl)phenoxy)propoxy)-1H-in...)
Show SMILES OC(=O)Cn1ccc2c(OCCCOc3ccc(cc3)C(=O)c3ccc(F)cc3)cccc12
Show InChI InChI=1S/C26H22FNO5/c27-20-9-5-18(6-10-20)26(31)19-7-11-21(12-8-19)32-15-2-16-33-24-4-1-3-23-22(24)13-14-28(23)17-25(29)30/h1,3-14H,2,15-17H2,(H,29,30)
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n/an/a>1.00E+4n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Displacement of [3H]L-783,483 from human PPAR delta by SPA assay


J Med Chem 49: 1212-6 (2006)


Article DOI: 10.1021/jm0510373
BindingDB Entry DOI: 10.7270/Q2QV3M3P
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50181906
PNG
(2-(4-(3-(6-benzoylnaphthalen-2-yloxy)propoxy)-1H-i...)
Show SMILES OC(=O)Cn1ccc2c(OCCCOc3ccc4cc(ccc4c3)C(=O)c3ccccc3)cccc12
Show InChI InChI=1S/C30H25NO5/c32-29(33)20-31-15-14-26-27(31)8-4-9-28(26)36-17-5-16-35-25-13-12-22-18-24(11-10-23(22)19-25)30(34)21-6-2-1-3-7-21/h1-4,6-15,18-19H,5,16-17,20H2,(H,32,33)
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n/an/a>1.00E+4n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Displacement of [3H]L-783,483 from human PPAR delta by SPA assay


J Med Chem 49: 1212-6 (2006)


Article DOI: 10.1021/jm0510373
BindingDB Entry DOI: 10.7270/Q2QV3M3P
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50181913
PNG
(2-(5-(3-(4-(4-fluorobenzoyl)phenoxy)propoxy)-1H-in...)
Show SMILES OC(=O)Cn1ccc2cc(OCCCOc3ccc(cc3)C(=O)c3ccc(F)cc3)ccc12
Show InChI InChI=1S/C26H22FNO5/c27-21-6-2-18(3-7-21)26(31)19-4-8-22(9-5-19)32-14-1-15-33-23-10-11-24-20(16-23)12-13-28(24)17-25(29)30/h2-13,16H,1,14-15,17H2,(H,29,30)
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n/an/a>1.00E+4n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Displacement of [3H]L-783,483 from human PPAR delta by SPA assay


J Med Chem 49: 1212-6 (2006)


Article DOI: 10.1021/jm0510373
BindingDB Entry DOI: 10.7270/Q2QV3M3P
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50181913
PNG
(2-(5-(3-(4-(4-fluorobenzoyl)phenoxy)propoxy)-1H-in...)
Show SMILES OC(=O)Cn1ccc2cc(OCCCOc3ccc(cc3)C(=O)c3ccc(F)cc3)ccc12
Show InChI InChI=1S/C26H22FNO5/c27-21-6-2-18(3-7-21)26(31)19-4-8-22(9-5-19)32-14-1-15-33-23-10-11-24-20(16-23)12-13-28(24)17-25(29)30/h2-13,16H,1,14-15,17H2,(H,29,30)
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n/an/a 213n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Displacement of [3H]rosiglitazone from human PPAR gamma by SPA assay


J Med Chem 49: 1212-6 (2006)


Article DOI: 10.1021/jm0510373
BindingDB Entry DOI: 10.7270/Q2QV3M3P
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50181908
PNG
(2-(4-(3-(4-(4-fluorobenzoyl)phenoxy)propoxy)-1H-in...)
Show SMILES OC(=O)Cn1ccc2c(OCCCOc3ccc(cc3)C(=O)c3ccc(F)cc3)cccc12
Show InChI InChI=1S/C26H22FNO5/c27-20-9-5-18(6-10-20)26(31)19-7-11-21(12-8-19)32-15-2-16-33-24-4-1-3-23-22(24)13-14-28(23)17-25(29)30/h1,3-14H,2,15-17H2,(H,29,30)
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n/an/a 2.96E+3n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Displacement of [3H]rosiglitazone from human PPAR gamma by SPA assay


J Med Chem 49: 1212-6 (2006)


Article DOI: 10.1021/jm0510373
BindingDB Entry DOI: 10.7270/Q2QV3M3P
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50181913
PNG
(2-(5-(3-(4-(4-fluorobenzoyl)phenoxy)propoxy)-1H-in...)
Show SMILES OC(=O)Cn1ccc2cc(OCCCOc3ccc(cc3)C(=O)c3ccc(F)cc3)ccc12
Show InChI InChI=1S/C26H22FNO5/c27-21-6-2-18(3-7-21)26(31)19-4-8-22(9-5-19)32-14-1-15-33-23-10-11-24-20(16-23)12-13-28(24)17-25(29)30/h2-13,16H,1,14-15,17H2,(H,29,30)
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n/an/a>1.00E+4n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Displacement of [3H]L-783,483 from human PPAR alpha by SPA assay


J Med Chem 49: 1212-6 (2006)


Article DOI: 10.1021/jm0510373
BindingDB Entry DOI: 10.7270/Q2QV3M3P
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50181910
PNG
(2-(6-(3-(4-(4-fluorobenzoyl)-2-propylphenoxy)propo...)
Show SMILES CCCc1cc(ccc1OCCCOc1ccc2ccn(CC(O)=O)c2c1)C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C29H28FNO5/c1-2-4-22-17-23(29(34)21-5-9-24(30)10-6-21)8-12-27(22)36-16-3-15-35-25-11-7-20-13-14-31(19-28(32)33)26(20)18-25/h5-14,17-18H,2-4,15-16,19H2,1H3,(H,32,33)
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n/an/a 1.05E+3n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Displacement of [3H]L-783,483 from human PPAR alpha by SPA assay


J Med Chem 49: 1212-6 (2006)


Article DOI: 10.1021/jm0510373
BindingDB Entry DOI: 10.7270/Q2QV3M3P
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50181906
PNG
(2-(4-(3-(6-benzoylnaphthalen-2-yloxy)propoxy)-1H-i...)
Show SMILES OC(=O)Cn1ccc2c(OCCCOc3ccc4cc(ccc4c3)C(=O)c3ccccc3)cccc12
Show InChI InChI=1S/C30H25NO5/c32-29(33)20-31-15-14-26-27(31)8-4-9-28(26)36-17-5-16-35-25-13-12-22-18-24(11-10-23(22)19-25)30(34)21-6-2-1-3-7-21/h1-4,6-15,18-19H,5,16-17,20H2,(H,32,33)
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n/an/a 1.08E+3n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Displacement of [3H]L-783,483 from human PPAR alpha by SPA assay


J Med Chem 49: 1212-6 (2006)


Article DOI: 10.1021/jm0510373
BindingDB Entry DOI: 10.7270/Q2QV3M3P
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50181912
PNG
(2-(6-(3-(6-benzoylnaphthalen-2-yloxy)propoxy)-1H-i...)
Show SMILES OC(=O)Cn1ccc2ccc(OCCCOc3ccc4cc(ccc4c3)C(=O)c3ccccc3)cc12
Show InChI InChI=1S/C30H25NO5/c32-29(33)20-31-14-13-21-9-11-27(19-28(21)31)36-16-4-15-35-26-12-10-23-17-25(8-7-24(23)18-26)30(34)22-5-2-1-3-6-22/h1-3,5-14,17-19H,4,15-16,20H2,(H,32,33)
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n/an/a 2.57E+3n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Displacement of [3H]L-783,483 from human PPAR delta by SPA assay


J Med Chem 49: 1212-6 (2006)


Article DOI: 10.1021/jm0510373
BindingDB Entry DOI: 10.7270/Q2QV3M3P
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50181910
PNG
(2-(6-(3-(4-(4-fluorobenzoyl)-2-propylphenoxy)propo...)
Show SMILES CCCc1cc(ccc1OCCCOc1ccc2ccn(CC(O)=O)c2c1)C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C29H28FNO5/c1-2-4-22-17-23(29(34)21-5-9-24(30)10-6-21)8-12-27(22)36-16-3-15-35-25-11-7-20-13-14-31(19-28(32)33)26(20)18-25/h5-14,17-18H,2-4,15-16,19H2,1H3,(H,32,33)
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n/an/a 1.29E+3n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Displacement of [3H]rosiglitazone from human PPAR gamma by SPA assay


J Med Chem 49: 1212-6 (2006)


Article DOI: 10.1021/jm0510373
BindingDB Entry DOI: 10.7270/Q2QV3M3P
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50181912
PNG
(2-(6-(3-(6-benzoylnaphthalen-2-yloxy)propoxy)-1H-i...)
Show SMILES OC(=O)Cn1ccc2ccc(OCCCOc3ccc4cc(ccc4c3)C(=O)c3ccccc3)cc12
Show InChI InChI=1S/C30H25NO5/c32-29(33)20-31-14-13-21-9-11-27(19-28(21)31)36-16-4-15-35-26-12-10-23-17-25(8-7-24(23)18-26)30(34)22-5-2-1-3-6-22/h1-3,5-14,17-19H,4,15-16,20H2,(H,32,33)
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n/an/a 4.49E+3n/an/an/an/an/an/a



Universidad Nacional Aut£noma de M£xico

Curated by ChEMBL


Assay Description
Agonist activity at PPARalpha


Bioorg Med Chem 20: 3523-32 (2012)


Article DOI: 10.1016/j.bmc.2012.04.005
BindingDB Entry DOI: 10.7270/Q2MP54B4
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50181912
PNG
(2-(6-(3-(6-benzoylnaphthalen-2-yloxy)propoxy)-1H-i...)
Show SMILES OC(=O)Cn1ccc2ccc(OCCCOc3ccc4cc(ccc4c3)C(=O)c3ccccc3)cc12
Show InChI InChI=1S/C30H25NO5/c32-29(33)20-31-14-13-21-9-11-27(19-28(21)31)36-16-4-15-35-26-12-10-23-17-25(8-7-24(23)18-26)30(34)22-5-2-1-3-6-22/h1-3,5-14,17-19H,4,15-16,20H2,(H,32,33)
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n/an/a 2.57E+3n/an/an/an/an/an/a



Universidad Nacional Aut£noma de M£xico

Curated by ChEMBL


Assay Description
Agonist activity at PPARdelta


Bioorg Med Chem 20: 3523-32 (2012)


Article DOI: 10.1016/j.bmc.2012.04.005
BindingDB Entry DOI: 10.7270/Q2MP54B4
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50181910
PNG
(2-(6-(3-(4-(4-fluorobenzoyl)-2-propylphenoxy)propo...)
Show SMILES CCCc1cc(ccc1OCCCOc1ccc2ccn(CC(O)=O)c2c1)C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C29H28FNO5/c1-2-4-22-17-23(29(34)21-5-9-24(30)10-6-21)8-12-27(22)36-16-3-15-35-25-11-7-20-13-14-31(19-28(32)33)26(20)18-25/h5-14,17-18H,2-4,15-16,19H2,1H3,(H,32,33)
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n/an/a 1.05E+3n/an/an/an/an/an/a



Universidad Nacional Aut£noma de M£xico

Curated by ChEMBL


Assay Description
Agonist activity at PPARalpha


Bioorg Med Chem 20: 3523-32 (2012)


Article DOI: 10.1016/j.bmc.2012.04.005
BindingDB Entry DOI: 10.7270/Q2MP54B4
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50181910
PNG
(2-(6-(3-(4-(4-fluorobenzoyl)-2-propylphenoxy)propo...)
Show SMILES CCCc1cc(ccc1OCCCOc1ccc2ccn(CC(O)=O)c2c1)C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C29H28FNO5/c1-2-4-22-17-23(29(34)21-5-9-24(30)10-6-21)8-12-27(22)36-16-3-15-35-25-11-7-20-13-14-31(19-28(32)33)26(20)18-25/h5-14,17-18H,2-4,15-16,19H2,1H3,(H,32,33)
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n/an/a 7.62E+3n/an/an/an/an/an/a



Universidad Nacional Aut£noma de M£xico

Curated by ChEMBL


Assay Description
Agonist activity at PPARdelta


Bioorg Med Chem 20: 3523-32 (2012)


Article DOI: 10.1016/j.bmc.2012.04.005
BindingDB Entry DOI: 10.7270/Q2MP54B4
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50181912
PNG
(2-(6-(3-(6-benzoylnaphthalen-2-yloxy)propoxy)-1H-i...)
Show SMILES OC(=O)Cn1ccc2ccc(OCCCOc3ccc4cc(ccc4c3)C(=O)c3ccccc3)cc12
Show InChI InChI=1S/C30H25NO5/c32-29(33)20-31-14-13-21-9-11-27(19-28(21)31)36-16-4-15-35-26-12-10-23-17-25(8-7-24(23)18-26)30(34)22-5-2-1-3-6-22/h1-3,5-14,17-19H,4,15-16,20H2,(H,32,33)
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n/an/a 1.58E+3n/an/an/an/an/an/a



Universidad Nacional Aut£noma de M£xico

Curated by ChEMBL


Assay Description
Agonist activity at PPARgamma


Bioorg Med Chem 20: 3523-32 (2012)


Article DOI: 10.1016/j.bmc.2012.04.005
BindingDB Entry DOI: 10.7270/Q2MP54B4
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50181910
PNG
(2-(6-(3-(4-(4-fluorobenzoyl)-2-propylphenoxy)propo...)
Show SMILES CCCc1cc(ccc1OCCCOc1ccc2ccn(CC(O)=O)c2c1)C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C29H28FNO5/c1-2-4-22-17-23(29(34)21-5-9-24(30)10-6-21)8-12-27(22)36-16-3-15-35-25-11-7-20-13-14-31(19-28(32)33)26(20)18-25/h5-14,17-18H,2-4,15-16,19H2,1H3,(H,32,33)
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n/an/a 7.62E+3n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Displacement of [3H]L-783,483 from human PPAR delta by SPA assay


J Med Chem 49: 1212-6 (2006)


Article DOI: 10.1021/jm0510373
BindingDB Entry DOI: 10.7270/Q2QV3M3P
More data for this
Ligand-Target Pair