Found 47 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50151001
((S)-2-((Z)-1-Methyl-3-oxo-3-phenyl-propenylamino)-...)Show SMILES CC(CC(=O)c1ccccc1)=N[C@@H](Cc1ccc(OCCc2nc(oc2C)-c2ccccc2)cc1)C(O)=O |w:1.0| Show InChI InChI=1S/C31H30N2O5/c1-21(19-29(34)24-9-5-3-6-10-24)32-28(31(35)36)20-23-13-15-26(16-14-23)37-18-17-27-22(2)38-30(33-27)25-11-7-4-8-12-25/h3-16,28H,17-20H2,1-2H3,(H,35,36)/t28-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
MMDB
PC cid
PC sid
UniChem
| Article
PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Binding affinity for human peroxisome proliferator activated receptor gamma |
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)) | BDBM50151001
((S)-2-((Z)-1-Methyl-3-oxo-3-phenyl-propenylamino)-...)Show SMILES CC(CC(=O)c1ccccc1)=N[C@@H](Cc1ccc(OCCc2nc(oc2C)-c2ccccc2)cc1)C(O)=O |w:1.0| Show InChI InChI=1S/C31H30N2O5/c1-21(19-29(34)24-9-5-3-6-10-24)32-28(31(35)36)20-23-13-15-26(16-14-23)37-18-17-27-22(2)38-30(33-27)25-11-7-4-8-12-25/h3-16,28H,17-20H2,1-2H3,(H,35,36)/t28-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
UniChem
| Article
PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 gamma
(Homo sapiens (Human)) | BDBM50145710
(2-Methyl-3-{4-[2-(5-methyl-2-thiophen-2-yl-oxazol-...)Show SMILES Cc1oc(nc1CCOc1ccc(CC(C)(Oc2ccccc2)C(O)=O)cc1)-c1cccs1 Show InChI InChI=1S/C26H25NO5S/c1-18-22(27-24(31-18)23-9-6-16-33-23)14-15-30-20-12-10-19(11-13-20)17-26(2,25(28)29)32-21-7-4-3-5-8-21/h3-13,16H,14-15,17H2,1-2H3,(H,28,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Binding affinity for human peroxisome proliferator activated receptor gamma |
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)) | BDBM50145710
(2-Methyl-3-{4-[2-(5-methyl-2-thiophen-2-yl-oxazol-...)Show SMILES Cc1oc(nc1CCOc1ccc(CC(C)(Oc2ccccc2)C(O)=O)cc1)-c1cccs1 Show InChI InChI=1S/C26H25NO5S/c1-18-22(27-24(31-18)23-9-6-16-33-23)14-15-30-20-12-10-19(11-13-20)17-26(2,25(28)29)32-21-7-4-3-5-8-21/h3-13,16H,14-15,17H2,1-2H3,(H,28,29) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50124389
(2,2-Dimethyl-3-{4-[4-(3-phenyl-7-propyl-benzo[d]is...)Show SMILES CCCc1c(OCCCCOc2ccc(CC(C)(C)C(O)=O)cc2)ccc2c(noc12)-c1ccccc1 Show InChI InChI=1S/C31H35NO5/c1-4-10-25-27(18-17-26-28(32-37-29(25)26)23-11-6-5-7-12-23)36-20-9-8-19-35-24-15-13-22(14-16-24)21-31(2,3)30(33)34/h5-7,11-18H,4,8-10,19-21H2,1-3H3,(H,33,34) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 gamma
(Homo sapiens (Human)) | BDBM50124389
(2,2-Dimethyl-3-{4-[4-(3-phenyl-7-propyl-benzo[d]is...)Show SMILES CCCc1c(OCCCCOc2ccc(CC(C)(C)C(O)=O)cc2)ccc2c(noc12)-c1ccccc1 Show InChI InChI=1S/C31H35NO5/c1-4-10-25-27(18-17-26-28(32-37-29(25)26)23-11-6-5-7-12-23)36-20-9-8-19-35-24-15-13-22(14-16-24)21-31(2,3)30(33)34/h5-7,11-18H,4,8-10,19-21H2,1-3H3,(H,33,34) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Binding affinity for human peroxisome proliferator activated receptor gamma |
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)) | BDBM50131503
(5-{3-[3-(4-Phenoxy-2-propyl-phenoxy)-propoxy]-phen...)Show SMILES CCCc1cc(Oc2ccccc2)ccc1OCCCOc1cccc(c1)-c1sc(=O)[nH]c1O Show InChI InChI=1S/C27H27NO5S/c1-2-8-19-17-23(33-21-10-4-3-5-11-21)13-14-24(19)32-16-7-15-31-22-12-6-9-20(18-22)25-26(29)28-27(30)34-25/h3-6,9-14,17-18,29H,2,7-8,15-16H2,1H3,(H,28,30) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 gamma
(Homo sapiens (Human)) | BDBM28681
(5-[(4-{2-[methyl(pyridin-2-yl)amino]ethoxy}phenyl)...)Show InChI InChI=1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,22H,10-12H2,1H3,(H,20,23) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| 50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Binding affinity for human peroxisome proliferator activated receptor gamma |
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 | 
3D Structure (crystal) |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50131503
(5-{3-[3-(4-Phenoxy-2-propyl-phenoxy)-propoxy]-phen...)Show SMILES CCCc1cc(Oc2ccccc2)ccc1OCCCOc1cccc(c1)-c1sc(=O)[nH]c1O Show InChI InChI=1S/C27H27NO5S/c1-2-8-19-17-23(33-21-10-4-3-5-11-21)13-14-24(19)32-16-7-15-31-22-12-6-9-20(18-22)25-26(29)28-27(30)34-25/h3-6,9-14,17-18,29H,2,7-8,15-16H2,1H3,(H,28,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Binding affinity for human peroxisome proliferator activated receptor gamma |
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 gamma
(Homo sapiens (Human)) | BDBM50109551
((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 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| MMDB
PDB
Article
PubMed
| 90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Binding affinity for human peroxisome proliferator activated receptor gamma |
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 |
3D Structure (crystal) |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM50100442
(2-{4-[2-(2-Biphenyl-4-yl-5-methyl-oxazol-4-yl)-eth...)Show SMILES Cc1oc(nc1CCOc1ccc(OC(C)(C)C(O)=O)cc1)-c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C28H27NO5/c1-19-25(17-18-32-23-13-15-24(16-14-23)34-28(2,3)27(30)31)29-26(33-19)22-11-9-21(10-12-22)20-7-5-4-6-8-20/h4-16H,17-18H2,1-3H3,(H,30,31) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 170 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 gamma
(Mus musculus) | BDBM28798
((2S)-2-ethoxy-3-(4-{2-[4-(methanesulfonyloxy)pheny...)Show SMILES CCO[C@@H](Cc1ccc(OCCc2ccc(OS(C)(=O)=O)cc2)cc1)C(O)=O |r| Show InChI InChI=1S/C20H24O7S/c1-3-25-19(20(21)22)14-16-6-8-17(9-7-16)26-13-12-15-4-10-18(11-5-15)27-28(2,23)24/h4-11,19H,3,12-14H2,1-2H3,(H,21,22)/t19-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
| MMDB
PDB
Article
PubMed
| 200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Binding affinity for murine peroxisome proliferator activated receptor gamma |
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 |
3D Structure (crystal) |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM50075315
(5-(2,4-Dioxo-thiazolidin-5-ylmethyl)-2-methoxy-N-(...)Show SMILES COc1ccc(Cc2sc(=O)[nH]c2O)cc1C(=O)NCc1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C20H17F3N2O4S/c1-29-15-7-4-12(9-16-18(27)25-19(28)30-16)8-14(15)17(26)24-10-11-2-5-13(6-3-11)20(21,22)23/h2-8,27H,9-10H2,1H3,(H,24,26)(H,25,28) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| 230 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 gamma
(Homo sapiens (Human)) | BDBM50075315
(5-(2,4-Dioxo-thiazolidin-5-ylmethyl)-2-methoxy-N-(...)Show SMILES COc1ccc(Cc2sc(=O)[nH]c2O)cc1C(=O)NCc1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C20H17F3N2O4S/c1-29-15-7-4-12(9-16-18(27)25-19(28)30-16)8-14(15)17(26)24-10-11-2-5-13(6-3-11)20(21,22)23/h2-8,27H,9-10H2,1H3,(H,24,26)(H,25,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| 330 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Binding affinity for human peroxisome proliferator activated receptor gamma |
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 gamma
(Homo sapiens (Human)) | BDBM50100442
(2-{4-[2-(2-Biphenyl-4-yl-5-methyl-oxazol-4-yl)-eth...)Show SMILES Cc1oc(nc1CCOc1ccc(OC(C)(C)C(O)=O)cc1)-c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C28H27NO5/c1-19-25(17-18-32-23-13-15-24(16-14-23)34-28(2,3)27(30)31)29-26(33-19)22-11-9-21(10-12-22)20-7-5-4-6-8-20/h4-16H,17-18H2,1-3H3,(H,30,31) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 550 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Binding affinity for human peroxisome proliferator activated receptor gamma |
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
((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 | PDB
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Patents
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| Article
PubMed
| 980 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM28798
((2S)-2-ethoxy-3-(4-{2-[4-(methanesulfonyloxy)pheny...)Show SMILES CCO[C@@H](Cc1ccc(OCCc2ccc(OS(C)(=O)=O)cc2)cc1)C(O)=O |r| Show InChI InChI=1S/C20H24O7S/c1-3-25-19(20(21)22)14-16-6-8-17(9-7-16)26-13-12-15-4-10-18(11-5-15)27-28(2,23)24/h4-11,19H,3,12-14H2,1-2H3,(H,21,22)/t19-/m0/s1 | PDB
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| PDB
Article
PubMed
| 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 |
3D Structure (crystal) |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50151000
(5-{4-[2-(4-Ethyl-phenyl)-ethoxy]-benzyl}-thiazolid...)Show InChI InChI=1S/C20H21NO3S/c1-2-14-3-5-15(6-4-14)11-12-24-17-9-7-16(8-10-17)13-18-19(22)21-20(23)25-18/h3-10,22H,2,11-13H2,1H3,(H,21,23) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Binding affinity for human peroxisome proliferator activated receptor gamma |
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 gamma
(Homo sapiens (Human)) | BDBM50131503
(5-{3-[3-(4-Phenoxy-2-propyl-phenoxy)-propoxy]-phen...)Show SMILES CCCc1cc(Oc2ccccc2)ccc1OCCCOc1cccc(c1)-c1sc(=O)[nH]c1O Show InChI InChI=1S/C27H27NO5S/c1-2-8-19-17-23(33-21-10-4-3-5-11-21)13-14-24(19)32-16-7-15-31-22-12-6-9-20(18-22)25-26(29)28-27(30)34-25/h3-6,9-14,17-18,29H,2,7-8,15-16H2,1H3,(H,28,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 10 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Effective concentration against human peroxisome proliferator activated receptor gamma 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)) | BDBM50085047
(2-(4-Chlorophenoxy)-2-methylpropanoic acid ethyl e...)Show InChI InChI=1S/C12H15ClO3/c1-4-15-11(14)12(2,3)16-10-7-5-9(13)6-8-10/h5-8H,4H2,1-3H3 | PDB
UniProtKB/SwissProt
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UniChem
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| Article
PubMed
| n/a | n/a | n/a | n/a | 5.50E+4 | n/a | n/a | n/a | n/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 gamma
(Mus musculus) | BDBM28798
((2S)-2-ethoxy-3-(4-{2-[4-(methanesulfonyloxy)pheny...)Show SMILES CCO[C@@H](Cc1ccc(OCCc2ccc(OS(C)(=O)=O)cc2)cc1)C(O)=O |r| Show InChI InChI=1S/C20H24O7S/c1-3-25-19(20(21)22)14-16-6-8-17(9-7-16)26-13-12-15-4-10-18(11-5-15)27-28(2,23)24/h4-11,19H,3,12-14H2,1-2H3,(H,21,22)/t19-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
| MMDB
PDB
Article
PubMed
| n/a | n/a | n/a | n/a | 250 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Effective concentration against murine peroxisome proliferator activated receptor gamma 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 |
3D Structure (crystal) |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50109547
((S)-3-(4-(2-CARBAZOL-9-YL-ETHOXY)-PHENYL)-2-ETHOXY...)Show SMILES CCO[C@@H](Cc1ccc(OCCn2c3ccccc3c3ccccc23)cc1)C(O)=O Show InChI InChI=1S/C25H25NO4/c1-2-29-24(25(27)28)17-18-11-13-19(14-12-18)30-16-15-26-22-9-5-3-7-20(22)21-8-4-6-10-23(21)26/h3-14,24H,2,15-17H2,1H3,(H,27,28)/t24-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| MMDB
PDB
Article
PubMed
| n/a | n/a | n/a | n/a | 170 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Effective concentration against human peroxisome proliferator activated receptor gamma 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 |
3D Structure (crystal) |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50151000
(5-{4-[2-(4-Ethyl-phenyl)-ethoxy]-benzyl}-thiazolid...)Show InChI InChI=1S/C20H21NO3S/c1-2-14-3-5-15(6-4-14)11-12-24-17-9-7-16(8-10-17)13-18-19(22)21-20(23)25-18/h3-10,22H,2,11-13H2,1H3,(H,21,23) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 580 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Effective concentration against human peroxisome proliferator activated receptor gamma 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 gamma
(Homo sapiens (Human)) | BDBM50075315
(5-(2,4-Dioxo-thiazolidin-5-ylmethyl)-2-methoxy-N-(...)Show SMILES COc1ccc(Cc2sc(=O)[nH]c2O)cc1C(=O)NCc1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C20H17F3N2O4S/c1-29-15-7-4-12(9-16-18(27)25-19(28)30-16)8-14(15)17(26)24-10-11-2-5-13(6-3-11)20(21,22)23/h2-8,27H,9-10H2,1H3,(H,24,26)(H,25,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | n/a | n/a | 800 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Effective concentration against human peroxisome proliferator activated receptor gamma 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 gamma
(Homo sapiens (Human)) | BDBM50145710
(2-Methyl-3-{4-[2-(5-methyl-2-thiophen-2-yl-oxazol-...)Show SMILES Cc1oc(nc1CCOc1ccc(CC(C)(Oc2ccccc2)C(O)=O)cc1)-c1cccs1 Show InChI InChI=1S/C26H25NO5S/c1-18-22(27-24(31-18)23-9-6-16-33-23)14-15-30-20-12-10-19(11-13-20)17-26(2,25(28)29)32-21-7-4-3-5-8-21/h3-13,16H,14-15,17H2,1-2H3,(H,28,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 4 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Effective concentration against human peroxisome proliferator activated receptor gamma 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)) | BDBM50100442
(2-{4-[2-(2-Biphenyl-4-yl-5-methyl-oxazol-4-yl)-eth...)Show SMILES Cc1oc(nc1CCOc1ccc(OC(C)(C)C(O)=O)cc1)-c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C28H27NO5/c1-19-25(17-18-32-23-13-15-24(16-14-23)34-28(2,3)27(30)31)29-26(33-19)22-11-9-21(10-12-22)20-7-5-4-6-8-20/h4-16H,17-18H2,1-3H3,(H,30,31) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 150 | n/a | n/a | n/a | n/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 gamma
(Homo sapiens (Human)) | BDBM28701
(2-(4-{2-[(4-chlorophenyl)formamido]ethyl}phenoxy)-...)Show SMILES CC(C)(Oc1ccc(CCNC(=O)c2ccc(Cl)cc2)cc1)C(O)=O Show InChI InChI=1S/C19H20ClNO4/c1-19(2,18(23)24)25-16-9-3-13(4-10-16)11-12-21-17(22)14-5-7-15(20)8-6-14/h3-10H,11-12H2,1-2H3,(H,21,22)(H,23,24) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
| DrugBank
PDB
Article
PubMed
| n/a | n/a | n/a | n/a | 6.00E+4 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Effective concentration against human peroxisome proliferator activated receptor gamma 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 |
3D Structure (crystal) |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM50075315
(5-(2,4-Dioxo-thiazolidin-5-ylmethyl)-2-methoxy-N-(...)Show SMILES COc1ccc(Cc2sc(=O)[nH]c2O)cc1C(=O)NCc1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C20H17F3N2O4S/c1-29-15-7-4-12(9-16-18(27)25-19(28)30-16)8-14(15)17(26)24-10-11-2-5-13(6-3-11)20(21,22)23/h2-8,27H,9-10H2,1H3,(H,24,26)(H,25,28) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/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)) | BDBM50145710
(2-Methyl-3-{4-[2-(5-methyl-2-thiophen-2-yl-oxazol-...)Show SMILES Cc1oc(nc1CCOc1ccc(CC(C)(Oc2ccccc2)C(O)=O)cc1)-c1cccs1 Show InChI InChI=1S/C26H25NO5S/c1-18-22(27-24(31-18)23-9-6-16-33-23)14-15-30-20-12-10-19(11-13-20)17-26(2,25(28)29)32-21-7-4-3-5-8-21/h3-13,16H,14-15,17H2,1-2H3,(H,28,29) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
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| Article
PubMed
| n/a | n/a | n/a | n/a | 9 | n/a | n/a | n/a | n/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)) | BDBM50124389
(2,2-Dimethyl-3-{4-[4-(3-phenyl-7-propyl-benzo[d]is...)Show SMILES CCCc1c(OCCCCOc2ccc(CC(C)(C)C(O)=O)cc2)ccc2c(noc12)-c1ccccc1 Show InChI InChI=1S/C31H35NO5/c1-4-10-25-27(18-17-26-28(32-37-29(25)26)23-11-6-5-7-12-23)36-20-9-8-19-35-24-15-13-22(14-16-24)21-31(2,3)30(33)34/h5-7,11-18H,4,8-10,19-21H2,1-3H3,(H,33,34) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 4 | n/a | n/a | n/a | n/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 gamma
(Homo sapiens (Human)) | BDBM50109551
((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 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| MMDB
PDB
Article
PubMed
| n/a | n/a | n/a | n/a | 570 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Effective concentration against human peroxisome proliferator activated receptor gamma 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 |
3D Structure (crystal) |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50124389
(2,2-Dimethyl-3-{4-[4-(3-phenyl-7-propyl-benzo[d]is...)Show SMILES CCCc1c(OCCCCOc2ccc(CC(C)(C)C(O)=O)cc2)ccc2c(noc12)-c1ccccc1 Show InChI InChI=1S/C31H35NO5/c1-4-10-25-27(18-17-26-28(32-37-29(25)26)23-11-6-5-7-12-23)36-20-9-8-19-35-24-15-13-22(14-16-24)21-31(2,3)30(33)34/h5-7,11-18H,4,8-10,19-21H2,1-3H3,(H,33,34) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 20 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Effective concentration against human peroxisome proliferator activated receptor gamma 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 gamma
(Homo sapiens (Human)) | BDBM50085042
(2-(4-(4-Chlorobenzoyl)phenoxy)-2-methylpropanoic a...)Show SMILES CC(C)OC(=O)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C20H21ClO4/c1-13(2)24-19(23)20(3,4)25-17-11-7-15(8-12-17)18(22)14-5-9-16(21)10-6-14/h5-13H,1-4H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| Purchase
CHEMBL
DrugBank
MCE
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PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 3.00E+5 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Effective concentration against human peroxisome proliferator activated receptor gamma 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 gamma
(Homo sapiens (Human)) | BDBM50100442
(2-{4-[2-(2-Biphenyl-4-yl-5-methyl-oxazol-4-yl)-eth...)Show SMILES Cc1oc(nc1CCOc1ccc(OC(C)(C)C(O)=O)cc1)-c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C28H27NO5/c1-19-25(17-18-32-23-13-15-24(16-14-23)34-28(2,3)27(30)31)29-26(33-19)22-11-9-21(10-12-22)20-7-5-4-6-8-20/h4-16H,17-18H2,1-3H3,(H,30,31) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 880 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Effective concentration against human peroxisome proliferator activated receptor gamma 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)) | BDBM50109547
((S)-3-(4-(2-CARBAZOL-9-YL-ETHOXY)-PHENYL)-2-ETHOXY...)Show SMILES CCO[C@@H](Cc1ccc(OCCn2c3ccccc3c3ccccc23)cc1)C(O)=O Show InChI InChI=1S/C25H25NO4/c1-2-29-24(25(27)28)17-18-11-13-19(14-12-18)30-16-15-26-22-9-5-3-7-20(22)21-8-4-6-10-23(21)26/h3-14,24H,2,15-17H2,1H3,(H,27,28)/t24-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
DrugBank
MMDB
PC cid
PC sid
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UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 360 | n/a | n/a | n/a | n/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 gamma
(Homo sapiens (Human)) | BDBM50151001
((S)-2-((Z)-1-Methyl-3-oxo-3-phenyl-propenylamino)-...)Show SMILES CC(CC(=O)c1ccccc1)=N[C@@H](Cc1ccc(OCCc2nc(oc2C)-c2ccccc2)cc1)C(O)=O |w:1.0| Show InChI InChI=1S/C31H30N2O5/c1-21(19-29(34)24-9-5-3-6-10-24)32-28(31(35)36)20-23-13-15-26(16-14-23)37-18-17-27-22(2)38-30(33-27)25-11-7-4-8-12-25/h3-16,28H,17-20H2,1-2H3,(H,35,36)/t28-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.200 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Effective concentration against human peroxisome proliferator activated receptor gamma 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)) | BDBM50131503
(5-{3-[3-(4-Phenoxy-2-propyl-phenoxy)-propoxy]-phen...)Show SMILES CCCc1cc(Oc2ccccc2)ccc1OCCCOc1cccc(c1)-c1sc(=O)[nH]c1O Show InChI InChI=1S/C27H27NO5S/c1-2-8-19-17-23(33-21-10-4-3-5-11-21)13-14-24(19)32-16-7-15-31-22-12-6-9-20(18-22)25-26(29)28-27(30)34-25/h3-6,9-14,17-18,29H,2,7-8,15-16H2,1H3,(H,28,30) | PDB
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| n/a | n/a | n/a | n/a | 30 | n/a | n/a | n/a | n/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 gamma
(Homo sapiens (Human)) | BDBM28681
(5-[(4-{2-[methyl(pyridin-2-yl)amino]ethoxy}phenyl)...)Show InChI InChI=1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,22H,10-12H2,1H3,(H,20,23) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
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| CHEMBL
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| PDB
Article
PubMed
| n/a | n/a | n/a | n/a | 40 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Effective concentration against human peroxisome proliferator activated receptor gamma 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 |
3D Structure (crystal) |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM50150999
(2-Isopropoxy-3-{4-[5-(4-isopropyl-phenyl)-[1,2,4]o...)Show SMILES CC(C)O[C@@H](Cc1ccc(OCc2noc(n2)-c2ccc(cc2)C(C)C)cc1)C(O)=O Show InChI InChI=1S/C24H28N2O5/c1-15(2)18-7-9-19(10-8-18)23-25-22(26-31-23)14-29-20-11-5-17(6-12-20)13-21(24(27)28)30-16(3)4/h5-12,15-16,21H,13-14H2,1-4H3,(H,27,28)/t21-/m0/s1 | PDB
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| n/a | n/a | n/a | n/a | 10 | n/a | n/a | n/a | n/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 gamma
(Homo sapiens (Human)) | BDBM50150998
(((4-Methoxy-phenoxycarbonyl)-{4-[2-(5-methyl-2-phe...)Show SMILES COc1ccc(OC(=O)N(CC(O)=O)Cc2ccc(OCCc3nc(oc3C)-c3ccccc3)cc2)cc1 Show InChI InChI=1S/C29H28N2O7/c1-20-26(30-28(37-20)22-6-4-3-5-7-22)16-17-36-24-10-8-21(9-11-24)18-31(19-27(32)33)29(34)38-25-14-12-23(35-2)13-15-25/h3-15H,16-19H2,1-2H3,(H,32,33) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
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PubMed
| n/a | n/a | n/a | n/a | 120 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Effective concentration against human peroxisome proliferator activated receptor gamma 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)) | BDBM28701
(2-(4-{2-[(4-chlorophenyl)formamido]ethyl}phenoxy)-...)Show SMILES CC(C)(Oc1ccc(CCNC(=O)c2ccc(Cl)cc2)cc1)C(O)=O Show InChI InChI=1S/C19H20ClNO4/c1-19(2,18(23)24)25-16-9-3-13(4-10-16)11-12-21-17(22)14-5-7-15(20)8-6-14/h3-10H,11-12H2,1-2H3,(H,21,22)(H,23,24) | PDB
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| PDB
Article
PubMed
| n/a | n/a | n/a | n/a | 5.00E+4 | n/a | n/a | n/a | n/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 |
3D Structure (crystal) |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM50151001
((S)-2-((Z)-1-Methyl-3-oxo-3-phenyl-propenylamino)-...)Show SMILES CC(CC(=O)c1ccccc1)=N[C@@H](Cc1ccc(OCCc2nc(oc2C)-c2ccccc2)cc1)C(O)=O |w:1.0| Show InChI InChI=1S/C31H30N2O5/c1-21(19-29(34)24-9-5-3-6-10-24)32-28(31(35)36)20-23-13-15-26(16-14-23)37-18-17-27-22(2)38-30(33-27)25-11-7-4-8-12-25/h3-16,28H,17-20H2,1-2H3,(H,35,36)/t28-/m0/s1 | PDB
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| n/a | n/a | n/a | n/a | 2 | n/a | n/a | n/a | n/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)) | BDBM28798
((2S)-2-ethoxy-3-(4-{2-[4-(methanesulfonyloxy)pheny...)Show SMILES CCO[C@@H](Cc1ccc(OCCc2ccc(OS(C)(=O)=O)cc2)cc1)C(O)=O |r| Show InChI InChI=1S/C20H24O7S/c1-3-25-19(20(21)22)14-16-6-8-17(9-7-16)26-13-12-15-4-10-18(11-5-15)27-28(2,23)24/h4-11,19H,3,12-14H2,1-2H3,(H,21,22)/t19-/m0/s1 | PDB
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Article
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| n/a | n/a | n/a | n/a | 1.70E+3 | n/a | n/a | n/a | n/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 |
3D Structure (crystal) |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50150999
(2-Isopropoxy-3-{4-[5-(4-isopropyl-phenyl)-[1,2,4]o...)Show SMILES CC(C)O[C@@H](Cc1ccc(OCc2noc(n2)-c2ccc(cc2)C(C)C)cc1)C(O)=O Show InChI InChI=1S/C24H28N2O5/c1-15(2)18-7-9-19(10-8-18)23-25-22(26-31-23)14-29-20-11-5-17(6-12-20)13-21(24(27)28)30-16(3)4/h5-12,15-16,21H,13-14H2,1-4H3,(H,27,28)/t21-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 4 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Effective concentration against human peroxisome proliferator activated receptor gamma 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
((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 | PDB
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| n/a | n/a | n/a | n/a | 3.20E+3 | n/a | n/a | n/a | n/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)) | BDBM50150998
(((4-Methoxy-phenoxycarbonyl)-{4-[2-(5-methyl-2-phe...)Show SMILES COc1ccc(OC(=O)N(CC(O)=O)Cc2ccc(OCCc3nc(oc3C)-c3ccccc3)cc2)cc1 Show InChI InChI=1S/C29H28N2O7/c1-20-26(30-28(37-20)22-6-4-3-5-7-22)16-17-36-24-10-8-21(9-11-24)18-31(19-27(32)33)29(34)38-25-14-12-23(35-2)13-15-25/h3-15H,16-19H2,1-2H3,(H,32,33) | PDB
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| n/a | n/a | n/a | n/a | 240 | n/a | n/a | n/a | n/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)) | BDBM50085042
(2-(4-(4-Chlorobenzoyl)phenoxy)-2-methylpropanoic a...)Show SMILES CC(C)OC(=O)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C20H21ClO4/c1-13(2)24-19(23)20(3,4)25-17-11-7-15(8-12-17)18(22)14-5-9-16(21)10-6-14/h5-13H,1-4H3 | PDB
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| n/a | n/a | n/a | n/a | 3.00E+4 | n/a | n/a | n/a | n/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 | |
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