BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 89 hits of kd data for polymerid = 2209,50001093,50004898   
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 gamma


(Homo sapiens (Human))
BDBM50050556
PNG
(CHEMBL3317860)
Show SMILES CCCOc1ccc(C[C@@H](Cc2ccccc2)C(O)=O)cc1CNC(=O)c1ccc(cc1)N1CCCCCCC1 |r|
Show InChI InChI=1S/C34H42N2O4/c1-2-21-40-32-18-13-27(23-29(34(38)39)22-26-11-7-6-8-12-26)24-30(32)25-35-33(37)28-14-16-31(17-15-28)36-19-9-4-3-5-10-20-36/h6-8,11-18,24,29H,2-5,9-10,19-23,25H2,1H3,(H,35,37)(H,38,39)/t29-/m1/s1
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/an/an/a 0.100n/an/an/an/an/a



Okayama University

Curated by ChEMBL


Assay Description
Binding affinity to human His-tagged PPARgamma LBD by SPR method


Bioorg Med Chem Lett 24: 4001-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.023
BindingDB Entry DOI: 10.7270/Q20G3MTS
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50050550
PNG
(CHEMBL3317867)
Show SMILES CCCOc1ccc(C[C@@H](Cc2ccccc2)C(O)=O)cc1CNC(=O)c1ccc(cc1)N1C2CC3CC(C2)CC1C3 |r,TLB:38:37:41:34.33.32,38:33:36.37.39:41,THB:32:33:36:39.40.41,32:40:36:34.38.33,29:32:36.37.39:41|
Show InChI InChI=1S/C36H42N2O4/c1-2-14-42-34-13-8-25(17-29(36(40)41)16-24-6-4-3-5-7-24)18-30(34)23-37-35(39)28-9-11-31(12-10-28)38-32-19-26-15-27(21-32)22-33(38)20-26/h3-13,18,26-27,29,32-33H,2,14-17,19-23H2,1H3,(H,37,39)(H,40,41)/t26?,27?,29-,32?,33?/m1/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/an/an/a 0.110n/an/an/an/an/a



Okayama University

Curated by ChEMBL


Assay Description
Binding affinity to human His-tagged PPARgamma LBD by SPR method


Bioorg Med Chem Lett 24: 4001-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.023
BindingDB Entry DOI: 10.7270/Q20G3MTS
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50050554
PNG
(CHEMBL3317863)
Show SMILES CCCOc1ccc(C[C@@H](Cc2ccccc2)C(O)=O)cc1CNC(=O)c1ccc(cc1)N1CC(C)(C)CC(C)(C)C1 |r|
Show InChI InChI=1S/C36H46N2O4/c1-6-18-42-32-17-12-27(20-29(34(40)41)19-26-10-8-7-9-11-26)21-30(32)22-37-33(39)28-13-15-31(16-14-28)38-24-35(2,3)23-36(4,5)25-38/h7-17,21,29H,6,18-20,22-25H2,1-5H3,(H,37,39)(H,40,41)/t29-/m1/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/an/an/a 0.400n/an/an/an/an/a



Okayama University

Curated by ChEMBL


Assay Description
Binding affinity to human His-tagged PPARgamma LBD by SPR method


Bioorg Med Chem Lett 24: 4001-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.023
BindingDB Entry DOI: 10.7270/Q20G3MTS
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50050552
PNG
(CHEMBL3317865)
Show SMILES CCCOc1ccc(C[C@@H](Cc2ccccc2)C(O)=O)cc1CNC(=O)c1ccc(cc1)N1C2CCCC1CCC2 |r,TLB:29:32:34.35.36:38.39.40|
Show InChI InChI=1S/C35H42N2O4/c1-2-20-41-33-19-14-26(22-28(35(39)40)21-25-8-4-3-5-9-25)23-29(33)24-36-34(38)27-15-17-32(18-16-27)37-30-10-6-11-31(37)13-7-12-30/h3-5,8-9,14-19,23,28,30-31H,2,6-7,10-13,20-22,24H2,1H3,(H,36,38)(H,39,40)/t28-,30?,31?/m1/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/an/an/a 0.410n/an/an/an/an/a



Okayama University

Curated by ChEMBL


Assay Description
Binding affinity to human His-tagged PPARgamma LBD by SPR method


Bioorg Med Chem Lett 24: 4001-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.023
BindingDB Entry DOI: 10.7270/Q20G3MTS
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50050553
PNG
(CHEMBL3317864)
Show SMILES CCCOc1ccc(C[C@@H](Cc2ccccc2)C(O)=O)cc1CNC(=O)c1ccc(cc1)N1C2CCC1CCC2 |r,TLB:29:32:38.39.37:34.35|
Show InChI InChI=1S/C34H40N2O4/c1-2-19-40-32-18-11-25(21-27(34(38)39)20-24-7-4-3-5-8-24)22-28(32)23-35-33(37)26-12-14-31(15-13-26)36-29-9-6-10-30(36)17-16-29/h3-5,7-8,11-15,18,22,27,29-30H,2,6,9-10,16-17,19-21,23H2,1H3,(H,35,37)(H,38,39)/t27-,29?,30?/m1/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/an/an/a 0.640n/an/an/an/an/a



Okayama University

Curated by ChEMBL


Assay Description
Binding affinity to human His-tagged PPARgamma LBD by SPR method


Bioorg Med Chem Lett 24: 4001-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.023
BindingDB Entry DOI: 10.7270/Q20G3MTS
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50050551
PNG
(CHEMBL3317866)
Show SMILES CCCOc1ccc(C[C@@H](Cc2ccccc2)C(O)=O)cc1CNC(=O)c1ccc(cc1)N1CC2CCC(C2)C1 |r,TLB:29:32:38:35.36|
Show InChI InChI=1S/C34H40N2O4/c1-2-16-40-32-15-10-25(19-29(34(38)39)18-24-6-4-3-5-7-24)20-30(32)21-35-33(37)28-11-13-31(14-12-28)36-22-26-8-9-27(17-26)23-36/h3-7,10-15,20,26-27,29H,2,8-9,16-19,21-23H2,1H3,(H,35,37)(H,38,39)/t26?,27?,29-/m1/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/an/an/a 0.800n/an/an/an/an/a



Okayama University

Curated by ChEMBL


Assay Description
Binding affinity to human His-tagged PPARgamma LBD by SPR method


Bioorg Med Chem Lett 24: 4001-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.023
BindingDB Entry DOI: 10.7270/Q20G3MTS
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50030474
PNG
(Avandamet | Avandaryl | Avandia | BRL-49653 | CHEB...)
Show SMILES CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1
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/h2-9,15H,10-12H2,1H3,(H,20,22,23)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

DrugBank
MCE
PC cid
PC sid
PDB
UniChem

Similars

DrugBank
PDB
Article
PubMed
n/an/an/a 1.20n/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of FTase-catalyzed incorporation of [3H]- FPP radioligand into recombinant Ha-Ras by 50% at an enzyme concentration of 1 nM.


Eur J Med Chem 127: 379-397 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.047
BindingDB Entry DOI: 10.7270/Q2474D4J
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50050555
PNG
(CHEMBL3317455)
Show SMILES CCCOc1ccc(C[C@@H](Cc2ccccc2)C(O)=O)cc1CNC(=O)c1ccc(cc1)N1CCCCCCCC1 |r|
Show InChI InChI=1S/C35H44N2O4/c1-2-22-41-33-19-14-28(24-30(35(39)40)23-27-12-8-7-9-13-27)25-31(33)26-36-34(38)29-15-17-32(18-16-29)37-20-10-5-3-4-6-11-21-37/h7-9,12-19,25,30H,2-6,10-11,20-24,26H2,1H3,(H,36,38)(H,39,40)/t30-/m1/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/an/an/a 1.80n/an/an/an/an/a



Okayama University

Curated by ChEMBL


Assay Description
Binding affinity to human His-tagged PPARgamma LBD by SPR method


Bioorg Med Chem Lett 24: 4001-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.023
BindingDB Entry DOI: 10.7270/Q20G3MTS
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50050557
PNG
(CHEMBL3317858)
Show SMILES CCCOc1ccc(C[C@@H](Cc2ccccc2)C(O)=O)cc1CNC(=O)c1ccc(cc1)N1CCCCC1 |r|
Show InChI InChI=1S/C32H38N2O4/c1-2-19-38-30-16-11-25(21-27(32(36)37)20-24-9-5-3-6-10-24)22-28(30)23-33-31(35)26-12-14-29(15-13-26)34-17-7-4-8-18-34/h3,5-6,9-16,22,27H,2,4,7-8,17-21,23H2,1H3,(H,33,35)(H,36,37)/t27-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/an/a 2.90n/an/an/an/an/a



Okayama University

Curated by ChEMBL


Assay Description
Binding affinity to human His-tagged PPARgamma LBD by SPR method


Bioorg Med Chem Lett 24: 4001-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.023
BindingDB Entry DOI: 10.7270/Q20G3MTS
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50235986
PNG
(CHEMBL4073499)
Show SMILES C[C@@H](Oc1ccc(Cc2ccc(OCc3coc(n3)-c3ccccc3)cc2)cc1)C(O)=O |r|
Show InChI InChI=1S/C26H23NO5/c1-18(26(28)29)32-24-13-9-20(10-14-24)15-19-7-11-23(12-8-19)30-16-22-17-31-25(27-22)21-5-3-2-4-6-21/h2-14,17-18H,15-16H2,1H3,(H,28,29)/t18-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 3.70n/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of FTase-catalyzed incorporation of [3H]- FPP radioligand into recombinant Ha-Ras by 50% at an enzyme concentration of 1 nM.


Eur J Med Chem 127: 379-397 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.047
BindingDB Entry DOI: 10.7270/Q2474D4J
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50235985
PNG
(CHEMBL4092600)
Show SMILES C[C@H](Oc1ccc(Cc2ccc(OCc3coc(n3)-c3ccccc3)cc2)cc1)C(O)=O |r|
Show InChI InChI=1S/C26H23NO5/c1-18(26(28)29)32-24-13-9-20(10-14-24)15-19-7-11-23(12-8-19)30-16-22-17-31-25(27-22)21-5-3-2-4-6-21/h2-14,17-18H,15-16H2,1H3,(H,28,29)/t18-/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/an/an/a 4.90n/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of FTase-catalyzed incorporation of [3H]- FPP radioligand into recombinant Ha-Ras by 50% at an enzyme concentration of 1 nM.


Eur J Med Chem 127: 379-397 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.047
BindingDB Entry DOI: 10.7270/Q2474D4J
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM28681
PNG
(5-[(4-{2-[methyl(pyridin-2-yl)amino]ethoxy}phenyl)...)
Show SMILES CN(CCOc1ccc(Cc2sc(=O)[nH]c2O)cc1)c1ccccn1
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
n/an/an/a 7n/an/an/an/an/a



Helmholtz Centre for Infection Research

Curated by ChEMBL


Assay Description
Binding affinity to human PPARgamma (unknown origin) by competitive TR-FRET assay


J Med Chem 56: 1535-43 (2013)


Article DOI: 10.1021/jm3013272
BindingDB Entry DOI: 10.7270/Q2R49S4J
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM28681
PNG
(5-[(4-{2-[methyl(pyridin-2-yl)amino]ethoxy}phenyl)...)
Show SMILES CN(CCOc1ccc(Cc2sc(=O)[nH]c2O)cc1)c1ccccn1
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
n/an/an/a 14.8 3.80n/an/a7.537



Consiglio Nazionale delle Ricerche



Assay Description
Kd values were obtained by incubating His-PPARgamma-LBD with biotinylated peptide, europium-labeled anti-histidine antibody, and allophycocyanin-labe...


J Biol Chem 282: 17314-24 (2007)


Article DOI: 10.1074/jbc.M702316200
BindingDB Entry DOI: 10.7270/Q27M0682
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50428826
PNG
(CHEMBL2337127)
Show SMILES [#6]-[#8]-c1cc(-[#6]-[#6]-c2ccccc2)c(-[#6](-[#8])=O)c(-[#8])c1-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6]
Show InChI InChI=1S/C26H32O4/c1-18(2)9-8-10-19(3)13-16-22-23(30-4)17-21(24(25(22)27)26(28)29)15-14-20-11-6-5-7-12-20/h5-7,9,11-13,17,27H,8,10,14-16H2,1-4H3,(H,28,29)/b19-13+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/an/a 19n/an/an/an/an/a



Helmholtz Centre for Infection Research

Curated by ChEMBL


Assay Description
Binding affinity to human PPARgamma (unknown origin) by competitive TR-FRET assay


J Med Chem 56: 1535-43 (2013)


Article DOI: 10.1021/jm3013272
BindingDB Entry DOI: 10.7270/Q2R49S4J
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50173365
PNG
(5-CHLORO-1-(4-CHLOROBENZYL)-3-(PHENYLTHIO)-1H-INDO...)
Show SMILES OC(=O)c1c(Sc2ccccc2)c2cc(Cl)ccc2n1Cc1ccc(Cl)cc1
Show InChI InChI=1S/C22H15Cl2NO2S/c23-15-8-6-14(7-9-15)13-25-19-11-10-16(24)12-18(19)21(20(25)22(26)27)28-17-4-2-1-3-5-17/h1-12H,13H2,(H,26,27)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

MMDB
PDB
Article
PubMed
n/an/an/a 29n/an/an/an/an/a



Helmholtz Centre for Infection Research

Curated by ChEMBL


Assay Description
Binding affinity to human PPARgamma (unknown origin) by competitive TR-FRET assay


J Med Chem 56: 1535-43 (2013)


Article DOI: 10.1021/jm3013272
BindingDB Entry DOI: 10.7270/Q2R49S4J
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50554669
PNG
(CHEMBL4743677)
Show SMILES CCCCCCCCOc1ccc(cc1)C(=O)N[C@@H](C(C)C)C(O)=O |r|
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/an/a 30n/an/an/an/an/a


TBA

Assay Description
Binding affinity to PPARg (unknown origin) by SPR assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01555
BindingDB Entry DOI: 10.7270/Q20V8HGR
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50030474
PNG
(Avandamet | Avandaryl | Avandia | BRL-49653 | CHEB...)
Show SMILES CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1
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/h2-9,15H,10-12H2,1H3,(H,20,22,23)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

DrugBank
MCE
PC cid
PC sid
PDB
UniChem

Similars

DrugBank
PDB
Article
PubMed
n/an/an/a 48n/an/an/an/an/a


TBA

Assay Description
Binding affinity to PPARg (unknown origin) by SPR assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01555
BindingDB Entry DOI: 10.7270/Q20V8HGR
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50536784
PNG
(CHEMBL4552580)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C)N)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(O)=O |r|
Show InChI InChI=1S/C97H156N26O29/c1-45(2)36-60(82(137)106-57(24-18-32-104-97(101)102)81(136)117-74(51(11)125)91(146)115-66(96(151)152)42-72(131)132)110-85(140)64(40-55-22-16-15-17-23-55)112-80(135)59(29-31-71(100)130)107-89(144)73(50(10)124)118-86(141)63(39-48(7)8)111-83(138)62(38-47(5)6)113-87(142)67-25-19-33-121(67)93(148)65(41-56-43-103-44-105-56)114-84(139)61(37-46(3)4)109-79(134)58(28-30-70(99)129)108-90(145)75(52(12)126)119-88(143)68-26-20-34-122(68)94(149)69-27-21-35-123(69)95(150)77(54(14)128)120-92(147)76(53(13)127)116-78(133)49(9)98/h15-17,22-23,43-54,57-69,73-77,124-128H,18-21,24-42,98H2,1-14H3,(H2,99,129)(H2,100,130)(H,103,105)(H,106,137)(H,107,144)(H,108,145)(H,109,134)(H,110,140)(H,111,138)(H,112,135)(H,113,142)(H,114,139)(H,115,146)(H,116,133)(H,117,136)(H,118,141)(H,119,143)(H,120,147)(H,131,132)(H,151,152)(H4,101,102,104)/t49-,50+,51+,52+,53+,54+,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,73-,74-,75-,76-,77-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 80n/an/an/an/an/a



Vitae Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Displacement of 5-FAM-labeled NBM131 from human PPARgamma ligand binding domain expressed in human HepG2 cells by fluorescence polarization assay


Bioorg Med Chem Lett 26: 4157-64 (2016)


Article DOI: 10.1016/j.bmcl.2016.07.067
BindingDB Entry DOI: 10.7270/Q2W66Q9R
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50554670
PNG
(CHEMBL4741141)
Show SMILES CCCCCCOc1ccc(cc1)C(=O)N[C@@H](C(C)C)C(O)=O |r|
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/an/a 94n/an/an/an/an/a


TBA

Assay Description
Binding affinity to PPARg (unknown origin) by SPR assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01555
BindingDB Entry DOI: 10.7270/Q20V8HGR
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM398043
PNG
(US10322118, Entry 1)
Show SMILES OC(=O)Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1
Show InChI InChI=1S/C14H8I4O4/c15-8-4-7(5-9(16)13(8)21)22-14-10(17)1-6(2-11(14)18)3-12(19)20/h1-2,4-5,21H,3H2,(H,19,20)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/an/a 110n/an/an/an/an/a



Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Binding affinity to recombinant PPARgamma LBD (unknown origin) by isothermal titration calorimetry


J Med Chem 63: 6727-6740 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02150
BindingDB Entry DOI: 10.7270/Q23N26ZW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM28681
PNG
(5-[(4-{2-[methyl(pyridin-2-yl)amino]ethoxy}phenyl)...)
Show SMILES CN(CCOc1ccc(Cc2sc(=O)[nH]c2O)cc1)c1ccccn1
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
n/an/an/a 120n/an/an/an/an/a



Istituto Tumori"Giovanni Paolo II"

Curated by ChEMBL


Assay Description
Binding affinity to PPARgamma ligand binding domain by isothermal titration calorimetry


J Med Chem 55: 37-54 (2012)


Article DOI: 10.1021/jm201306q
BindingDB Entry DOI: 10.7270/Q23N24JP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50554671
PNG
(CHEMBL4795671)
Show SMILES CCCCCCOc1ccc(cc1)C(=O)N[C@@H](C(C)C)C(=O)NO |r|
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/an/a 123n/an/an/an/an/a


TBA

Assay Description
Binding affinity to PPARg (unknown origin) by SPR assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01555
BindingDB Entry DOI: 10.7270/Q20V8HGR
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50109547
PNG
((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/an/an/a 170n/an/an/an/an/a



Organon Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards peroxisome proliferator activated receptor gamma


J Med Chem 48: 6523-43 (2005)


Article DOI: 10.1021/jm058225d
BindingDB Entry DOI: 10.7270/Q2SF2WZ9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50099491
PNG
(2-(4-(2-(3-cyclohexyl-1-(4-cyclohexylbutyl)ureido)...)
Show SMILES CC(C)(Sc1ccc(CCN(CCCCC2CCCCC2)C(=O)NC2CCCCC2)cc1)C(O)=O
Show InChI InChI=1S/C29H46N2O3S/c1-29(2,27(32)33)35-26-18-16-24(17-19-26)20-22-31(28(34)30-25-14-7-4-8-15-25)21-10-9-13-23-11-5-3-6-12-23/h16-19,23,25H,3-15,20-22H2,1-2H3,(H,30,34)(H,32,33)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
KEGG
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/an/a 180n/an/an/an/an/a



Helmholtz Centre for Infection Research

Curated by ChEMBL


Assay Description
Binding affinity to human PPARgamma (unknown origin) by competitive TR-FRET assay


J Med Chem 56: 1535-43 (2013)


Article DOI: 10.1021/jm3013272
BindingDB Entry DOI: 10.7270/Q2R49S4J
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM18862
PNG
(2-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]ac...)
Show SMILES OC(=O)Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1
Show InChI InChI=1S/C14H9I3O4/c15-9-6-8(1-2-12(9)18)21-14-10(16)3-7(4-11(14)17)5-13(19)20/h1-4,6,18H,5H2,(H,19,20)
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

Article
PubMed
n/an/an/a 200n/an/an/an/an/a



Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Binding affinity to recombinant PPARgamma LBD (unknown origin) by isothermal titration calorimetry


J Med Chem 63: 6727-6740 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02150
BindingDB Entry DOI: 10.7270/Q23N26ZW
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM91427
PNG
(2-hydroxy-4-methoxy-3-(3-methylbut-2-enyl)-6-(2-ph...)
Show SMILES [#6]-[#8]-c1cc(-[#6]-[#6]-c2ccccc2)c(-[#6](-[#8])=O)c(-[#8])c1-[#6]\[#6]=[#6](\[#6])-[#6]
Show InChI InChI=1S/C21H24O4/c1-14(2)9-12-17-18(25-3)13-16(19(20(17)22)21(23)24)11-10-15-7-5-4-6-8-15/h4-9,13,22H,10-12H2,1-3H3,(H,23,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/an/a 236n/an/an/an/an/a



Helmholtz Centre for Infection Research

Curated by ChEMBL


Assay Description
Binding affinity to human PPARgamma (unknown origin) by competitive TR-FRET assay


J Med Chem 56: 1535-43 (2013)


Article DOI: 10.1021/jm3013272
BindingDB Entry DOI: 10.7270/Q2R49S4J
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50106301
PNG
(CHEMBL3598140)
Show SMILES OC(=O)c1ccc(cc1)-c1nn(C(=O)c2c(Cl)cccc2C(F)(F)F)c2ccccc12
Show InChI InChI=1S/C22H12ClF3N2O3/c23-16-6-3-5-15(22(24,25)26)18(16)20(29)28-17-7-2-1-4-14(17)19(27-28)12-8-10-13(11-9-12)21(30)31/h1-11H,(H,30,31)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
PDB
UniChem

Patents

PDB
Article
PubMed
n/an/an/a 250n/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmc.2022.116877
BindingDB Entry DOI: 10.7270/Q2GB282C
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM28762
PNG
((2R)-2-(4-{2-[1,3-benzoxazol-2-yl(heptyl)amino]eth...)
Show SMILES CCCCCCCN(CCc1ccc(O[C@](C)(CC)C(O)=O)cc1)c1nc2ccccc2o1 |r|
Show InChI InChI=1S/C27H36N2O4/c1-4-6-7-8-11-19-29(26-28-23-12-9-10-13-24(23)32-26)20-18-21-14-16-22(17-15-21)33-27(3,5-2)25(30)31/h9-10,12-17H,4-8,11,18-20H2,1-3H3,(H,30,31)/t27-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
MMDB
PC cid
PC sid
PDB
UniChem

Similars

MMDB
PDB
Article
PubMed
n/an/an/a 270n/an/an/an/an/a



Istituto Tumori"Giovanni Paolo II"

Curated by ChEMBL


Assay Description
Binding affinity to PPARgamma ligand binding domain by isothermal titration calorimetry


J Med Chem 55: 37-54 (2012)


Article DOI: 10.1021/jm201306q
BindingDB Entry DOI: 10.7270/Q23N24JP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50428827
PNG
(CHEMBL2337126)
Show SMILES [#6]-[#6]-[#6]-[#6]-[#6]-c1cc(-[#8]-[#6])c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c1-[#6](-[#8])=O
Show InChI InChI=1S/C18H26O4/c1-5-6-7-8-13-11-15(22-4)14(10-9-12(2)3)17(19)16(13)18(20)21/h9,11,19H,5-8,10H2,1-4H3,(H,20,21)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/an/a 287n/an/an/an/an/a



Helmholtz Centre for Infection Research

Curated by ChEMBL


Assay Description
Binding affinity to human PPARgamma (unknown origin) by competitive TR-FRET assay


J Med Chem 56: 1535-43 (2013)


Article DOI: 10.1021/jm3013272
BindingDB Entry DOI: 10.7270/Q2R49S4J
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50122338
PNG
((S)-3-[4-(3,3-Bis-biphenyl-4-yl-allyloxy)-phenyl]-...)
Show SMILES [#6]-[#6]-[#8]-[#6@@H](-[#6]-c1ccc(-[#8]-[#6]\[#6]=[#6](/c2ccc(cc2)-c2ccccc2)-c2ccc(cc2)-c2ccccc2)cc1)-[#6](-[#8])=O
Show InChI InChI=1S/C38H34O4/c1-2-41-37(38(39)40)27-28-13-23-35(24-14-28)42-26-25-36(33-19-15-31(16-20-33)29-9-5-3-6-10-29)34-21-17-32(18-22-34)30-11-7-4-8-12-30/h3-25,37H,2,26-27H2,1H3,(H,39,40)/t37-/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/an/an/a 300n/an/an/an/an/a



Organon Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards peroxisome proliferator activated receptor gamma


J Med Chem 48: 6523-43 (2005)


Article DOI: 10.1021/jm058225d
BindingDB Entry DOI: 10.7270/Q2SF2WZ9
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50075315
PNG
(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/an/an/a 326n/an/an/an/an/a



Kyorin Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinity for Peroxisome proliferator activated receptor gamma (PPAR gamma)


Bioorg Med Chem Lett 9: 533-8 (1999)


BindingDB Entry DOI: 10.7270/Q25X283W
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50075315
PNG
(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/an/an/a 330n/an/an/an/an/a



Organon Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards peroxisome proliferator activated receptor gamma


J Med Chem 48: 6523-43 (2005)


Article DOI: 10.1021/jm058225d
BindingDB Entry DOI: 10.7270/Q2SF2WZ9
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50301375
PNG
(3,3',5,5'-tetraiodo-L-thyronine | 3,5,3',5'-tetrai...)
Show SMILES N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)C(O)=O |r|
Show InChI InChI=1S/C15H11I4NO4/c16-8-4-7(5-9(17)13(8)21)24-14-10(18)1-6(2-11(14)19)3-12(20)15(22)23/h1-2,4-5,12,21H,3,20H2,(H,22,23)/t12-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/an/a 400n/an/an/an/an/a



Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Binding affinity to recombinant PPARgamma LBD (unknown origin) by isothermal titration calorimetry


J Med Chem 63: 6727-6740 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02150
BindingDB Entry DOI: 10.7270/Q23N26ZW
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50536780
PNG
(CHEMBL4466393)
Show SMILES CC[C@H](NC(=O)c1ccc2n(ccc2c1)S(=O)(=O)c1cccc2ccccc12)c1ccccc1 |r|
Show InChI InChI=1S/C28H24N2O3S/c1-2-25(21-10-4-3-5-11-21)29-28(31)23-15-16-26-22(19-23)17-18-30(26)34(32,33)27-14-8-12-20-9-6-7-13-24(20)27/h3-19,25H,2H2,1H3,(H,29,31)/t25-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 513n/an/an/an/an/a



Vitae Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal His6-tagged human PPARgamma (205 to 477 residues) expressed in Escherichia coli BL21(DE3) by surface plasmon resonance...


Bioorg Med Chem Lett 26: 4157-64 (2016)


Article DOI: 10.1016/j.bmcl.2016.07.067
BindingDB Entry DOI: 10.7270/Q2W66Q9R
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50103763
PNG
(CHEBI:11684 | REVERSE TRIIODOTHYRONINE | Reverse T...)
Show SMILES N[C@@H](Cc1ccc(Oc2cc(I)c(O)c(I)c2)c(I)c1)C(O)=O |r|
Show InChI InChI=1S/C15H12I3NO4/c16-9-3-7(4-12(19)15(21)22)1-2-13(9)23-8-5-10(17)14(20)11(18)6-8/h1-3,5-6,12,20H,4,19H2,(H,21,22)/t12-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 630n/an/an/an/an/a



Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Binding affinity to recombinant PPARgamma LBD (unknown origin) by isothermal titration calorimetry


J Med Chem 63: 6727-6740 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02150
BindingDB Entry DOI: 10.7270/Q23N26ZW
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM28762
PNG
((2R)-2-(4-{2-[1,3-benzoxazol-2-yl(heptyl)amino]eth...)
Show SMILES CCCCCCCN(CCc1ccc(O[C@](C)(CC)C(O)=O)cc1)c1nc2ccccc2o1 |r|
Show InChI InChI=1S/C27H36N2O4/c1-4-6-7-8-11-19-29(26-28-23-12-9-10-13-24(23)32-26)20-18-21-14-16-22(17-15-21)33-27(3,5-2)25(30)31/h9-10,12-17H,4-8,11,18-20H2,1-3H3,(H,30,31)/t27-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
MMDB
PC cid
PC sid
PDB
UniChem

Similars

MMDB
PDB
Article
PubMed
n/an/an/a 685 73.3n/an/a7.537



Consiglio Nazionale delle Ricerche



Assay Description
Kd values were obtained by incubating His-PPARgamma-LBD with biotinylated peptide, europium-labeled anti-histidine antibody, and allophycocyanin-labe...


J Biol Chem 282: 17314-24 (2007)


Article DOI: 10.1074/jbc.M702316200
BindingDB Entry DOI: 10.7270/Q27M0682
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50530214
PNG
(CHEBI:82937 | Leriglitazone | Min-102)
Show SMILES CC(O)c1ccc(CCOc2ccc(CC3SC(=O)NC3=O)cc2)nc1
Show InChI InChI=1S/C19H20N2O4S/c1-12(22)14-4-5-15(20-11-14)8-9-25-16-6-2-13(3-7-16)10-17-18(23)21-19(24)26-17/h2-7,11-12,17,22H,8-10H2,1H3,(H,21,23,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/an/a 708n/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human 6His-tagged PPARgamma LBD expressed in Escherichia coli BL21(DE3) using FITC-NTKNHPMLMNLLKDNPAQD peptide by isothermal titr...


J Med Chem 62: 2008-2023 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01573
BindingDB Entry DOI: 10.7270/Q2TH8R5M
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50530214
PNG
(CHEBI:82937 | Leriglitazone | Min-102)
Show SMILES CC(O)c1ccc(CCOc2ccc(CC3SC(=O)NC3=O)cc2)nc1
Show InChI InChI=1S/C19H20N2O4S/c1-12(22)14-4-5-15(20-11-14)8-9-25-16-6-2-13(3-7-16)10-17-18(23)21-19(24)26-17/h2-7,11-12,17,22H,8-10H2,1H3,(H,21,23,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/an/a 708n/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human 6His-tagged PPARgamma LBD expressed in Escherichia coli BL21(DE3) using FITC-NTKNHPMLMNLLKDNPAQD peptide by isothermal titr...


J Med Chem 62: 2008-2023 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01573
BindingDB Entry DOI: 10.7270/Q2TH8R5M
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM18860
PNG
((2R)-2-amino-3-[4-(4-hydroxy-3-iodophenoxy)-3,5-di...)
Show SMILES N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(O)=O |r|
Show InChI InChI=1S/C15H12I3NO4/c16-9-6-8(1-2-13(9)20)23-14-10(17)3-7(4-11(14)18)5-12(19)15(21)22/h1-4,6,12,20H,5,19H2,(H,21,22)/t12-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/an/a 710n/an/an/an/an/a



Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Binding affinity to recombinant PPARgamma LBD (unknown origin) by isothermal titration calorimetry


J Med Chem 63: 6727-6740 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02150
BindingDB Entry DOI: 10.7270/Q23N26ZW
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50530346
PNG
(CHEMBL4575123)
Show SMILES OC(=O)CSc1nc(Cl)cc(Nc2cccc3CCCCc23)n1
Show InChI InChI=1S/C16H16ClN3O2S/c17-13-8-14(20-16(19-13)23-9-15(21)22)18-12-7-3-5-10-4-1-2-6-11(10)12/h3,5,7-8H,1-2,4,6,9H2,(H,21,22)(H,18,19,20)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/an/a 870n/an/an/an/an/a



Goethe University Frankfurt

Curated by ChEMBL


Assay Description
Binding affinity to recombinant PPARgamma (unknown origin) by isothermal titration calorimetry


J Med Chem 62: 2112-2126 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01848
BindingDB Entry DOI: 10.7270/Q2J38X18
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50530346
PNG
(CHEMBL4575123)
Show SMILES OC(=O)CSc1nc(Cl)cc(Nc2cccc3CCCCc23)n1
Show InChI InChI=1S/C16H16ClN3O2S/c17-13-8-14(20-16(19-13)23-9-15(21)22)18-12-7-3-5-10-4-1-2-6-11(10)12/h3,5,7-8H,1-2,4,6,9H2,(H,21,22)(H,18,19,20)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/an/a 870n/an/an/an/an/a



Goethe University Frankfurt

Curated by ChEMBL


Assay Description
Binding affinity to recombinant PPARgamma (unknown origin) by isothermal titration calorimetry


J Med Chem 62: 2112-2126 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01848
BindingDB Entry DOI: 10.7270/Q2J38X18
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50103521
PNG
(Actos | CHEBI:8228 | Duetact | Pioglitazone | US10...)
Show SMILES CCc1ccc(CCOc2ccc(CC3SC(=O)NC3=O)cc2)nc1
Show InChI InChI=1S/C19H20N2O3S/c1-2-13-3-6-15(20-12-13)9-10-24-16-7-4-14(5-8-16)11-17-18(22)21-19(23)25-17/h3-8,12,17H,2,9-11H2,1H3,(H,21,22,23)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Similars

DrugBank
PDB
Article
PubMed
n/an/an/a 871n/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human 6His-tagged PPARgamma LBD expressed in Escherichia coli BL21(DE3) using FITC-NTKNHPMLMNLLKDNPAQD peptide by isothermal titr...


J Med Chem 62: 2008-2023 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01573
BindingDB Entry DOI: 10.7270/Q2TH8R5M
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50103521
PNG
(Actos | CHEBI:8228 | Duetact | Pioglitazone | US10...)
Show SMILES CCc1ccc(CCOc2ccc(CC3SC(=O)NC3=O)cc2)nc1
Show InChI InChI=1S/C19H20N2O3S/c1-2-13-3-6-15(20-12-13)9-10-24-16-7-4-14(5-8-16)11-17-18(22)21-19(23)25-17/h3-8,12,17H,2,9-11H2,1H3,(H,21,22,23)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Similars

DrugBank
PDB
Article
PubMed
n/an/an/a 871n/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human 6His-tagged PPARgamma LBD expressed in Escherichia coli BL21(DE3) using FITC-NTKNHPMLMNLLKDNPAQD peptide by isothermal titr...


J Med Chem 62: 2008-2023 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01573
BindingDB Entry DOI: 10.7270/Q2TH8R5M
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50530344
PNG
(CHEMBL4558880)
Show SMILES CN(c1cc(nc(OCCC(O)=O)n1)C(F)(F)F)c1cccc2CCCc12
Show InChI InChI=1S/C18H18F3N3O3/c1-24(13-7-3-5-11-4-2-6-12(11)13)15-10-14(18(19,20)21)22-17(23-15)27-9-8-16(25)26/h3,5,7,10H,2,4,6,8-9H2,1H3,(H,25,26)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/an/a 950n/an/an/an/an/a



Goethe University Frankfurt

Curated by ChEMBL


Assay Description
Binding affinity to recombinant PPARgamma (unknown origin) by isothermal titration calorimetry


J Med Chem 62: 2112-2126 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01848
BindingDB Entry DOI: 10.7270/Q2J38X18
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50530344
PNG
(CHEMBL4558880)
Show SMILES CN(c1cc(nc(OCCC(O)=O)n1)C(F)(F)F)c1cccc2CCCc12
Show InChI InChI=1S/C18H18F3N3O3/c1-24(13-7-3-5-11-4-2-6-12(11)13)15-10-14(18(19,20)21)22-17(23-15)27-9-8-16(25)26/h3,5,7,10H,2,4,6,8-9H2,1H3,(H,25,26)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/an/a 950n/an/an/an/an/a



Goethe University Frankfurt

Curated by ChEMBL


Assay Description
Binding affinity to recombinant PPARgamma (unknown origin) by isothermal titration calorimetry


J Med Chem 62: 2112-2126 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01848
BindingDB Entry DOI: 10.7270/Q2J38X18
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM84514
PNG
(Sulindac analogue, 11)
Show SMILES CC1=C(CC(O)=O)c2cc(F)ccc2\C1=C/c1cccc(OCc2ccccc2)c1 |c:1|
Show InChI InChI=1S/C26H21FO3/c1-17-23(22-11-10-20(27)14-25(22)24(17)15-26(28)29)13-19-8-5-9-21(12-19)30-16-18-6-3-2-4-7-18/h2-14H,15-16H2,1H3,(H,28,29)/b23-13-
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 960n/an/an/an/an/a


TBA

Assay Description
Binding affinity to GAL4-DBD-fused PPARgamma ligand binding domain (unknown origin) expressed in HEK293T cells by spectra-fluorophotometry analysis


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113542
BindingDB Entry DOI: 10.7270/Q2NG4VGG
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50572739
PNG
(CHEMBL4864627)
Show SMILES CC1=C(CC(O)=O)c2cc(F)ccc2\C1=C/c1cccc(Cl)c1 |c:1|
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 1.22E+3n/an/an/an/an/a


TBA

Assay Description
Binding affinity to GAL4-DBD-fused PPARgamma ligand binding domain (unknown origin) expressed in HEK293T cells by spectra-fluorophotometry analysis


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113542
BindingDB Entry DOI: 10.7270/Q2NG4VGG
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50273681
PNG
(2-(4-chloro-6-(2,3-dimethylphenylamino)pyrimidin-2...)
Show SMILES CCCCC(Sc1nc(Cl)cc(Nc2cccc(C)c2C)n1)C(O)=O
Show InChI InChI=1S/C18H22ClN3O2S/c1-4-5-9-14(17(23)24)25-18-21-15(19)10-16(22-18)20-13-8-6-7-11(2)12(13)3/h6-8,10,14H,4-5,9H2,1-3H3,(H,23,24)(H,20,21,22)
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/an/an/a 1.28E+3n/an/an/an/an/a



Goethe University Frankfurt

Curated by ChEMBL


Assay Description
Binding affinity to recombinant PPARgamma (unknown origin) by isothermal titration calorimetry


J Med Chem 62: 2112-2126 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01848
BindingDB Entry DOI: 10.7270/Q2J38X18
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50273681
PNG
(2-(4-chloro-6-(2,3-dimethylphenylamino)pyrimidin-2...)
Show SMILES CCCCC(Sc1nc(Cl)cc(Nc2cccc(C)c2C)n1)C(O)=O
Show InChI InChI=1S/C18H22ClN3O2S/c1-4-5-9-14(17(23)24)25-18-21-15(19)10-16(22-18)20-13-8-6-7-11(2)12(13)3/h6-8,10,14H,4-5,9H2,1-3H3,(H,23,24)(H,20,21,22)
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/an/an/a 1.28E+3n/an/an/an/an/a



Goethe University Frankfurt

Curated by ChEMBL


Assay Description
Binding affinity to recombinant PPARgamma (unknown origin) by isothermal titration calorimetry


J Med Chem 62: 2112-2126 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01848
BindingDB Entry DOI: 10.7270/Q2J38X18
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM24566
PNG
(2-({4-chloro-6-[(2,3-dimethylphenyl)amino]pyrimidi...)
Show SMILES Cc1cccc(Nc2cc(Cl)nc(SCC(O)=O)n2)c1C
Show InChI InChI=1S/C14H14ClN3O2S/c1-8-4-3-5-10(9(8)2)16-12-6-11(15)17-14(18-12)21-7-13(19)20/h3-6H,7H2,1-2H3,(H,19,20)(H,16,17,18)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
n/an/an/a 1.30E+3n/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of FTase-catalyzed incorporation of [3H]- FPP radioligand into recombinant Ha-Ras by 50% at an enzyme concentration of 1 nM.


Eur J Med Chem 127: 379-397 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.047
BindingDB Entry DOI: 10.7270/Q2474D4J
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Displayed 1 to 50 (of 89 total )  |  Next  |  Last  >>
Jump to: