Found 33 hits Enz. Inhib. hit(s) with all data for entry = 50010950 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)) | BDBM50064451
(5-{4-[2-(5-Methyl-2-phenyl-oxazol-4-yl)-ethoxy]-be...)Show SMILES Cc1oc(nc1CCOc1ccc(Cc2sc(=O)[nH]c2O)cc1)-c1ccccc1 Show InChI InChI=1S/C22H20N2O4S/c1-14-18(23-21(28-14)16-5-3-2-4-6-16)11-12-27-17-9-7-15(8-10-17)13-19-20(25)24-22(26)29-19/h2-10,25H,11-13H2,1H3,(H,24,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity at human peroxidase proliferator activated receptor gamma (hPPARgamma) |
J Med Chem 44: 2061-4 (2001)
BindingDB Entry DOI: 10.7270/Q2DZ07KH |
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
PubMed
| n/a | n/a | 48 | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity at human peroxidase proliferator activated receptor gamma (hPPARgamma) |
J Med Chem 44: 2061-4 (2001)
BindingDB Entry DOI: 10.7270/Q2DZ07KH |
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
| PubMed
| n/a | n/a | 174 | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity towards human peroxidase proliferator activated receptor alpha (hPPARalpha) |
J Med Chem 44: 2061-4 (2001)
BindingDB Entry DOI: 10.7270/Q2DZ07KH |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM50100444
(2-(4-{2-[2-(4-Bromo-phenyl)-5-methyl-oxazol-4-yl]-...)Show SMILES Cc1oc(nc1CCOc1ccc(OC(C)(C)C(O)=O)cc1)-c1ccc(Br)cc1 Show InChI InChI=1S/C22H22BrNO5/c1-14-19(24-20(28-14)15-4-6-16(23)7-5-15)12-13-27-17-8-10-18(11-9-17)29-22(2,3)21(25)26/h4-11H,12-13H2,1-3H3,(H,25,26) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 242 | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity towards human peroxidase proliferator activated receptor alpha (hPPARalpha) |
J Med Chem 44: 2061-4 (2001)
BindingDB Entry DOI: 10.7270/Q2DZ07KH |
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
| PubMed
| n/a | n/a | 463 | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity at human peroxidase proliferator activated receptor gamma (hPPARgamma) |
J Med Chem 44: 2061-4 (2001)
BindingDB Entry DOI: 10.7270/Q2DZ07KH |
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
| PubMed
| n/a | n/a | 548 | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity at human peroxidase proliferator activated receptor gamma (hPPARgamma) |
J Med Chem 44: 2061-4 (2001)
BindingDB Entry DOI: 10.7270/Q2DZ07KH |
More data for this
Ligand-Target Pair | |
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
| PubMed
| n/a | n/a | 914 | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity towards human peroxidase proliferator activated receptor alpha (hPPARalpha) |
J Med Chem 44: 2061-4 (2001)
BindingDB Entry DOI: 10.7270/Q2DZ07KH |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50085045
(5-((4-((6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydro-...)Show SMILES Cc1c(C)c2OC(C)(COc3ccc(Cc4sc(=O)[nH]c4O)cc3)CCc2c(C)c1O Show InChI InChI=1S/C24H27NO5S/c1-13-14(2)21-18(15(3)20(13)26)9-10-24(4,30-21)12-29-17-7-5-16(6-8-17)11-19-22(27)25-23(28)31-19/h5-8,26-27H,9-12H2,1-4H3,(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
Similars
| PubMed
| n/a | n/a | 1.29E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity at human peroxidase proliferator activated receptor gamma (hPPARgamma) |
J Med Chem 44: 2061-4 (2001)
BindingDB Entry DOI: 10.7270/Q2DZ07KH |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM50100443
(2-Methyl-2-{4-[2-(5-methyl-2-phenyl-oxazol-4-yl)-e...)Show SMILES Cc1oc(nc1CCOc1ccc(OC(C)(C)C(O)=O)cc1)-c1ccccc1 Show InChI InChI=1S/C22H23NO5/c1-15-19(23-20(27-15)16-7-5-4-6-8-16)13-14-26-17-9-11-18(12-10-17)28-22(2,3)21(24)25/h4-12H,13-14H2,1-3H3,(H,24,25) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 1.45E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity towards human peroxidase proliferator activated receptor alpha (hPPARalpha) |
J Med Chem 44: 2061-4 (2001)
BindingDB Entry DOI: 10.7270/Q2DZ07KH |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM50100445
(2-{4-[2-(5-Methyl-2-phenyl-oxazol-4-yl)-ethoxy]-ph...)Show SMILES CC(Oc1ccc(OCCc2nc(oc2C)-c2ccccc2)cc1)C(O)=O Show InChI InChI=1S/C21H21NO5/c1-14-19(22-20(27-14)16-6-4-3-5-7-16)12-13-25-17-8-10-18(11-9-17)26-15(2)21(23)24/h3-11,15H,12-13H2,1-2H3,(H,23,24) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 2.03E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity towards human peroxidase proliferator activated receptor alpha (hPPARalpha) |
J Med Chem 44: 2061-4 (2001)
BindingDB Entry DOI: 10.7270/Q2DZ07KH |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50100443
(2-Methyl-2-{4-[2-(5-methyl-2-phenyl-oxazol-4-yl)-e...)Show SMILES Cc1oc(nc1CCOc1ccc(OC(C)(C)C(O)=O)cc1)-c1ccccc1 Show InChI InChI=1S/C22H23NO5/c1-15-19(23-20(27-15)16-7-5-4-6-8-16)13-14-26-17-9-11-18(12-10-17)28-22(2,3)21(24)25/h4-12H,13-14H2,1-3H3,(H,24,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 3.02E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity at human peroxidase proliferator activated receptor gamma (hPPARgamma) |
J Med Chem 44: 2061-4 (2001)
BindingDB Entry DOI: 10.7270/Q2DZ07KH |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50100445
(2-{4-[2-(5-Methyl-2-phenyl-oxazol-4-yl)-ethoxy]-ph...)Show SMILES CC(Oc1ccc(OCCc2nc(oc2C)-c2ccccc2)cc1)C(O)=O Show InChI InChI=1S/C21H21NO5/c1-14-19(22-20(27-14)16-6-4-3-5-7-16)12-13-25-17-8-10-18(11-9-17)26-15(2)21(23)24/h3-11,15H,12-13H2,1-2H3,(H,23,24) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 3.12E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity at human peroxidase proliferator activated receptor gamma (hPPARgamma) |
J Med Chem 44: 2061-4 (2001)
BindingDB Entry DOI: 10.7270/Q2DZ07KH |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM50064451
(5-{4-[2-(5-Methyl-2-phenyl-oxazol-4-yl)-ethoxy]-be...)Show SMILES Cc1oc(nc1CCOc1ccc(Cc2sc(=O)[nH]c2O)cc1)-c1ccccc1 Show InChI InChI=1S/C22H20N2O4S/c1-14-18(23-21(28-14)16-5-3-2-4-6-16)11-12-27-17-9-7-15(8-10-17)13-19-20(25)24-22(26)29-19/h2-10,25H,11-13H2,1H3,(H,24,26) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 4.09E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity towards human peroxidase proliferator activated receptor alpha (hPPARalpha) |
J Med Chem 44: 2061-4 (2001)
BindingDB Entry DOI: 10.7270/Q2DZ07KH |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50100444
(2-(4-{2-[2-(4-Bromo-phenyl)-5-methyl-oxazol-4-yl]-...)Show SMILES Cc1oc(nc1CCOc1ccc(OC(C)(C)C(O)=O)cc1)-c1ccc(Br)cc1 Show InChI InChI=1S/C22H22BrNO5/c1-14-19(24-20(28-14)15-4-6-16(23)7-5-15)12-13-27-17-8-10-18(11-9-17)29-22(2,3)21(25)26/h4-11H,12-13H2,1-3H3,(H,25,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 4.56E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity at human peroxidase proliferator activated receptor gamma (hPPARgamma) |
J Med Chem 44: 2061-4 (2001)
BindingDB Entry DOI: 10.7270/Q2DZ07KH |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor alpha
(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
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity towards human peroxidase proliferator activated receptor alpha (hPPARalpha) |
J Med Chem 44: 2061-4 (2001)
BindingDB Entry DOI: 10.7270/Q2DZ07KH |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50100441
(CHEMBL294807 | {4-[2-(5-Methyl-2-phenyl-oxazol-4-y...)Show InChI InChI=1S/C20H19NO5/c1-14-18(21-20(26-14)15-5-3-2-4-6-15)11-12-24-16-7-9-17(10-8-16)25-13-19(22)23/h2-10H,11-13H2,1H3,(H,22,23) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 1.06E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity at human peroxidase proliferator activated receptor gamma (hPPARgamma) |
J Med Chem 44: 2061-4 (2001)
BindingDB Entry DOI: 10.7270/Q2DZ07KH |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM50100441
(CHEMBL294807 | {4-[2-(5-Methyl-2-phenyl-oxazol-4-y...)Show InChI InChI=1S/C20H19NO5/c1-14-18(21-20(26-14)15-5-3-2-4-6-15)11-12-24-16-7-9-17(10-8-16)25-13-19(22)23/h2-10H,11-13H2,1H3,(H,22,23) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 1.06E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity towards human peroxidase proliferator activated receptor alpha (hPPARalpha) |
J Med Chem 44: 2061-4 (2001)
BindingDB Entry DOI: 10.7270/Q2DZ07KH |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM28700
(2-(4-(4-Chlorobenzoyl)phenoxy)-2-methylpropionic a...)Show InChI InChI=1S/C17H15ClO4/c1-17(2,16(20)21)22-14-9-5-12(6-10-14)15(19)11-3-7-13(18)8-4-11/h3-10H,1-2H3,(H,20,21) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
PubMed
| n/a | n/a | 6.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity towards human peroxidase proliferator activated receptor alpha (hPPARalpha) |
J Med Chem 44: 2061-4 (2001)
BindingDB Entry DOI: 10.7270/Q2DZ07KH |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM50064451
(5-{4-[2-(5-Methyl-2-phenyl-oxazol-4-yl)-ethoxy]-be...)Show SMILES Cc1oc(nc1CCOc1ccc(Cc2sc(=O)[nH]c2O)cc1)-c1ccccc1 Show InChI InChI=1S/C22H20N2O4S/c1-14-18(23-21(28-14)16-5-3-2-4-6-16)11-12-27-17-9-7-15(8-10-17)13-19-20(25)24-22(26)29-19/h2-10,25H,11-13H2,1H3,(H,24,26) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | n/a | n/a | 771 | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity at human PPAR alpha |
J Med Chem 44: 2061-4 (2001)
BindingDB Entry DOI: 10.7270/Q2DZ07KH |
More data for this
Ligand-Target Pair | |
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
| PubMed
| n/a | n/a | n/a | n/a | 922 | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity at human PPAR alpha |
J Med Chem 44: 2061-4 (2001)
BindingDB Entry DOI: 10.7270/Q2DZ07KH |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50100445
(2-{4-[2-(5-Methyl-2-phenyl-oxazol-4-yl)-ethoxy]-ph...)Show SMILES CC(Oc1ccc(OCCc2nc(oc2C)-c2ccccc2)cc1)C(O)=O Show InChI InChI=1S/C21H21NO5/c1-14-19(22-20(27-14)16-6-4-3-5-7-16)12-13-25-17-8-10-18(11-9-17)26-15(2)21(23)24/h3-11,15H,12-13H2,1-2H3,(H,23,24) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | n/a | n/a | 2.75E+3 | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity at human PPAR gamma |
J Med Chem 44: 2061-4 (2001)
BindingDB Entry DOI: 10.7270/Q2DZ07KH |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50064451
(5-{4-[2-(5-Methyl-2-phenyl-oxazol-4-yl)-ethoxy]-be...)Show SMILES Cc1oc(nc1CCOc1ccc(Cc2sc(=O)[nH]c2O)cc1)-c1ccccc1 Show InChI InChI=1S/C22H20N2O4S/c1-14-18(23-21(28-14)16-5-3-2-4-6-16)11-12-27-17-9-7-15(8-10-17)13-19-20(25)24-22(26)29-19/h2-10,25H,11-13H2,1H3,(H,24,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | n/a | n/a | 8 | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity at human PPAR gamma |
J Med Chem 44: 2061-4 (2001)
BindingDB Entry DOI: 10.7270/Q2DZ07KH |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM50100444
(2-(4-{2-[2-(4-Bromo-phenyl)-5-methyl-oxazol-4-yl]-...)Show SMILES Cc1oc(nc1CCOc1ccc(OC(C)(C)C(O)=O)cc1)-c1ccc(Br)cc1 Show InChI InChI=1S/C22H22BrNO5/c1-14-19(24-20(28-14)15-4-6-16(23)7-5-15)12-13-27-17-8-10-18(11-9-17)29-22(2,3)21(25)26/h4-11H,12-13H2,1-3H3,(H,25,26) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | n/a | n/a | 61.9 | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity at human PPAR alpha |
J Med Chem 44: 2061-4 (2001)
BindingDB Entry DOI: 10.7270/Q2DZ07KH |
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
| PubMed
| n/a | n/a | n/a | n/a | 1.09E+3 | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity at human PPAR gamma |
J Med Chem 44: 2061-4 (2001)
BindingDB Entry DOI: 10.7270/Q2DZ07KH |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50100444
(2-(4-{2-[2-(4-Bromo-phenyl)-5-methyl-oxazol-4-yl]-...)Show SMILES Cc1oc(nc1CCOc1ccc(OC(C)(C)C(O)=O)cc1)-c1ccc(Br)cc1 Show InChI InChI=1S/C22H22BrNO5/c1-14-19(24-20(28-14)15-4-6-16(23)7-5-15)12-13-27-17-8-10-18(11-9-17)29-22(2,3)21(25)26/h4-11H,12-13H2,1-3H3,(H,25,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | n/a | n/a | 1.72E+3 | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity at human PPAR gamma |
J Med Chem 44: 2061-4 (2001)
BindingDB Entry DOI: 10.7270/Q2DZ07KH |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM50100445
(2-{4-[2-(5-Methyl-2-phenyl-oxazol-4-yl)-ethoxy]-ph...)Show SMILES CC(Oc1ccc(OCCc2nc(oc2C)-c2ccccc2)cc1)C(O)=O Show InChI InChI=1S/C21H21NO5/c1-14-19(22-20(27-14)16-6-4-3-5-7-16)12-13-25-17-8-10-18(11-9-17)26-15(2)21(23)24/h3-11,15H,12-13H2,1-2H3,(H,23,24) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | n/a | n/a | 625 | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity at human PPAR alpha |
J Med Chem 44: 2061-4 (2001)
BindingDB Entry DOI: 10.7270/Q2DZ07KH |
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
PubMed
| n/a | n/a | n/a | n/a | 657 | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity at human PPAR gamma |
J Med Chem 44: 2061-4 (2001)
BindingDB Entry DOI: 10.7270/Q2DZ07KH |
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
| PubMed
| n/a | n/a | n/a | n/a | 150 | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity at human PPAR alpha |
J Med Chem 44: 2061-4 (2001)
BindingDB Entry DOI: 10.7270/Q2DZ07KH |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50100443
(2-Methyl-2-{4-[2-(5-methyl-2-phenyl-oxazol-4-yl)-e...)Show SMILES Cc1oc(nc1CCOc1ccc(OC(C)(C)C(O)=O)cc1)-c1ccccc1 Show InChI InChI=1S/C22H23NO5/c1-15-19(23-20(27-15)16-7-5-4-6-8-16)13-14-26-17-9-11-18(12-10-17)28-22(2,3)21(24)25/h4-12H,13-14H2,1-3H3,(H,24,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | n/a | n/a | 2.06E+3 | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity at human PPAR gamma |
J Med Chem 44: 2061-4 (2001)
BindingDB Entry DOI: 10.7270/Q2DZ07KH |
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
| PubMed
| n/a | n/a | n/a | n/a | 882 | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity at human PPAR gamma |
J Med Chem 44: 2061-4 (2001)
BindingDB Entry DOI: 10.7270/Q2DZ07KH |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50085045
(5-((4-((6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydro-...)Show SMILES Cc1c(C)c2OC(C)(COc3ccc(Cc4sc(=O)[nH]c4O)cc3)CCc2c(C)c1O Show InChI InChI=1S/C24H27NO5S/c1-13-14(2)21-18(15(3)20(13)26)9-10-24(4,30-21)12-29-17-7-5-16(6-8-17)11-19-22(27)25-23(28)31-19/h5-8,26-27H,9-12H2,1-4H3,(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
Similars
| PubMed
| n/a | n/a | n/a | n/a | 2.24E+3 | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity at human PPAR gamma |
J Med Chem 44: 2061-4 (2001)
BindingDB Entry DOI: 10.7270/Q2DZ07KH |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM50100441
(CHEMBL294807 | {4-[2-(5-Methyl-2-phenyl-oxazol-4-y...)Show InChI InChI=1S/C20H19NO5/c1-14-18(21-20(26-14)15-5-3-2-4-6-15)11-12-24-16-7-9-17(10-8-16)25-13-19(22)23/h2-10H,11-13H2,1H3,(H,22,23) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | n/a | n/a | 2.75E+3 | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity at human PPAR alpha |
J Med Chem 44: 2061-4 (2001)
BindingDB Entry DOI: 10.7270/Q2DZ07KH |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM50100443
(2-Methyl-2-{4-[2-(5-methyl-2-phenyl-oxazol-4-yl)-e...)Show SMILES Cc1oc(nc1CCOc1ccc(OC(C)(C)C(O)=O)cc1)-c1ccccc1 Show InChI InChI=1S/C22H23NO5/c1-15-19(23-20(27-15)16-7-5-4-6-8-16)13-14-26-17-9-11-18(12-10-17)28-22(2,3)21(24)25/h4-12H,13-14H2,1-3H3,(H,24,25) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | n/a | n/a | 717 | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity at human PPAR alpha |
J Med Chem 44: 2061-4 (2001)
BindingDB Entry DOI: 10.7270/Q2DZ07KH |
More data for this
Ligand-Target Pair | |
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