BDBM28681 5-[(4-{2-[methyl(pyridin-2-yl)amino]ethoxy}phenyl)methyl]-1,3-thiazolidine-2,4-dione::Avandia::BRL 49653::Brl-49653::CHEMBL121::ROSIGLITAZONE MALEATE::[3H]rosiglitazone::cid_5281055::rosiglitazone

SMILES CN(CCOc1ccc(Cc2sc(=O)[nH]c2O)cc1)c1ccccn1

InChI Key InChIKey=FLDPBMANMDLQTH-UHFFFAOYSA-N

Data  21 KI  59 IC50  4 Kd  140 EC50

PDB links: 5 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 21 hits for monomerid = 28681   

TargetPeroxisome proliferator-activated receptor gamma(Homo sapiens (Human))
Cnrs Umr 6052

Curated by ChEMBL

LigandBDBM28681(5-[(4-{2-[methyl(pyridin-2-yl)amino]ethoxy}phenyl)...)Copy SMILESCopy InChI

Affinity DataKi:  8nMAssay Description:Binding affinity for human PPAR gamma construct expressed in bacteria with 3[H] rosiglitazoneMore data for this Ligand-Target Pair

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Ligand InfoChEBI
CHEMBLPC cidPC sidPDBPatentsSimilars

In DepthDetails ArticlePubMedPDB3D Structure (crystal)
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TargetPeroxisome proliferator-activated receptor gamma(Homo sapiens (Human))
Cnrs Umr 6052

Curated by ChEMBL

LigandBDBM28681(5-[(4-{2-[methyl(pyridin-2-yl)amino]ethoxy}phenyl)...)Copy SMILESCopy InChI

Affinity DataKi:  8nMAssay Description:Displacement of [3H]Rosiglitazone from human PPARgammaMore data for this Ligand-Target Pair

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Ligand InfoChEBI
CHEMBLPC cidPC sidPDBPatentsSimilars

In DepthDetails ArticlePubMedPDB3D Structure (crystal)
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TargetPeroxisome proliferator-activated receptor gamma(Homo sapiens (Human))
Cnrs Umr 6052

Curated by ChEMBL

LigandBDBM28681(5-[(4-{2-[methyl(pyridin-2-yl)amino]ethoxy}phenyl)...)Copy SMILESCopy InChI

Affinity DataKi:  10nMAssay Description:Displacement of [3H]-rosiglitazone from GST-tagged PPARgammaLBD (unknown origin) after 1 hr by scintillation proximity assayMore data for this Ligand-Target Pair

Target InfoPDBMMDBNCI pathwayReactome pathwayKEGG
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Ligand InfoChEBI
CHEMBLPC cidPC sidPDBPatentsSimilars

In DepthDetails ArticlePubMedPDB3D Structure (crystal)
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TargetPeroxisome proliferator-activated receptor gamma(Homo sapiens (Human))
Cnrs Umr 6052

Curated by ChEMBL

LigandBDBM28681(5-[(4-{2-[methyl(pyridin-2-yl)amino]ethoxy}phenyl)...)Copy SMILESCopy InChI

Affinity DataKi:  14nMAssay Description:Binding affinity towards human peroxisome proliferator activated receptor gamma (PPAR gamma) was determined by HTRF assayMore data for this Ligand-Target Pair

Target InfoPDBMMDBNCI pathwayReactome pathwayKEGG
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Ligand InfoChEBI
CHEMBLPC cidPC sidPDBPatentsSimilars

In DepthDetails ArticlePubMedPDB3D Structure (crystal)
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TargetPeroxisome proliferator-activated receptor gamma(Homo sapiens (Human))
Cnrs Umr 6052

Curated by ChEMBL

LigandBDBM28681(5-[(4-{2-[methyl(pyridin-2-yl)amino]ethoxy}phenyl)...)Copy SMILESCopy InChI

Affinity DataKi:  47nMAssay Description:In vitro binding to peroxisome proliferator activated receptor gamma (PPAR gamma) using [3H]-BRL 49653 as radioligand in scintillation proximity assa...Checked by AuthorMore data for this Ligand-Target Pair

Target InfoPDBMMDBNCI pathwayReactome pathwayKEGG
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Ligand InfoChEBI
CHEMBLPC cidPC sidPDBPatentsSimilars

In DepthDetails ArticlePubMedPDB3D Structure (crystal)
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TargetPeroxisome proliferator-activated receptor gamma(Homo sapiens (Human))
Cnrs Umr 6052

Curated by ChEMBL

LigandBDBM28681(5-[(4-{2-[methyl(pyridin-2-yl)amino]ethoxy}phenyl)...)Copy SMILESCopy InChI

Affinity DataKi:  49nMAssay Description:Binding affinity was determined by displacement of 20 nM [3H]- thiazolidinedione from 4 nM biotinylated human peroxisome proliferator-activated recep...More data for this Ligand-Target Pair

Target InfoPDBMMDBNCI pathwayReactome pathwayKEGG
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Ligand InfoChEBI
CHEMBLPC cidPC sidPDBPatentsSimilars

In DepthDetails ArticlePDB3D Structure (crystal)
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TargetPeroxisome proliferator-activated receptor gamma(Homo sapiens (Human))
Cnrs Umr 6052

Curated by ChEMBL

LigandBDBM28681(5-[(4-{2-[methyl(pyridin-2-yl)amino]ethoxy}phenyl)...)Copy SMILESCopy InChI

Affinity DataKi:  50nMAssay Description:Binding affinity for human peroxisome proliferator activated receptor gammaMore data for this Ligand-Target Pair

Target InfoPDBMMDBNCI pathwayReactome pathwayKEGG
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Ligand InfoChEBI
CHEMBLPC cidPC sidPDBPatentsSimilars

In DepthDetails ArticlePubMedPDB3D Structure (crystal)
Copy BDB DOI

TargetPeroxisome proliferator-activated receptor gamma(Homo sapiens (Human))
Cnrs Umr 6052

Curated by ChEMBL

LigandBDBM28681(5-[(4-{2-[methyl(pyridin-2-yl)amino]ethoxy}phenyl)...)Copy SMILESCopy InChI

Affinity DataKi:  74nMAssay Description:Displacement of [3H]rosiglitazone from N-terminal His-tagged human PPARgamma ligand binding domain expressed in Escherichia coli BL21 DE3 cells by sc...More data for this Ligand-Target Pair

Target InfoPDBMMDBNCI pathwayReactome pathwayKEGG
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Ligand InfoChEBI
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In DepthDetails ArticlePubMedPDB3D Structure (crystal)
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TargetPeroxisome proliferator-activated receptor gamma(Homo sapiens (Human))
Cnrs Umr 6052

Curated by ChEMBL

LigandBDBM28681(5-[(4-{2-[methyl(pyridin-2-yl)amino]ethoxy}phenyl)...)Copy SMILESCopy InChI

Affinity DataKi:  74nM ΔG°:  -9.62kcal/molepH: 7.5 T: 2°CAssay Description:The scintillation proximity assay was performed in 96-well plates containing polylysine-coated yttrium silicate beads, His-PPARgamma-LBD, and [3H]ros...More data for this Ligand-Target Pair

Target InfoPDBMMDBNCI pathwayReactome pathwayKEGG
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Ligand InfoChEBI
CHEMBLPC cidPC sidPDBPatentsSimilars

In DepthDetails ArticlePubMedPDB3D Structure (crystal)
Copy BDB DOI

TargetPeroxisome proliferator-activated receptor gamma(Homo sapiens (Human))
Cnrs Umr 6052

Curated by ChEMBL

LigandBDBM28681(5-[(4-{2-[methyl(pyridin-2-yl)amino]ethoxy}phenyl)...)Copy SMILESCopy InChI

Affinity DataKi:  120nMAssay Description:Binding affinity to human Peroxisome proliferator activated receptor gamma using scintillation proximity assayMore data for this Ligand-Target Pair

Target InfoPDBMMDBNCI pathwayReactome pathwayKEGG
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Ligand InfoChEBI
CHEMBLPC cidPC sidPDBPatentsSimilars

In DepthDetails ArticlePubMedPDB3D Structure (crystal)
Copy BDB DOI

TargetPeroxisome proliferator-activated receptor gamma(Homo sapiens (Human))
Cnrs Umr 6052

Curated by ChEMBL

LigandBDBM28681(5-[(4-{2-[methyl(pyridin-2-yl)amino]ethoxy}phenyl)...)Copy SMILESCopy InChI

Affinity DataKi:  136nMAssay Description:In vitro binding affinity towards human peroxisome proliferator activated receptor gamma (PPAR gamma)More data for this Ligand-Target Pair

Target InfoPDBMMDBNCI pathwayReactome pathwayKEGG
UniProtKB/SwissProt
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Ligand InfoChEBI
CHEMBLPC cidPC sidPDBPatentsSimilars

In DepthDetails ArticlePubMedPDB3D Structure (crystal)
Copy BDB DOI

TargetPeroxisome proliferator-activated receptor gamma(Homo sapiens (Human))
Cnrs Umr 6052

Curated by ChEMBL

LigandBDBM28681(5-[(4-{2-[methyl(pyridin-2-yl)amino]ethoxy}phenyl)...)Copy SMILESCopy InChI

Affinity DataKi:  136nMAssay Description:Binding affinity towards peroxisome proliferator activated receptor gamma (PPAR gamma)More data for this Ligand-Target Pair

Target InfoPDBMMDBNCI pathwayReactome pathwayKEGG
UniProtKB/SwissProt
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Ligand InfoChEBI
CHEMBLPC cidPC sidPDBPatentsSimilars

In DepthDetails ArticlePubMedPDB3D Structure (crystal)
Copy BDB DOI

TargetPeroxisome proliferator-activated receptor gamma(Homo sapiens (Human))
Cnrs Umr 6052

Curated by ChEMBL

LigandBDBM28681(5-[(4-{2-[methyl(pyridin-2-yl)amino]ethoxy}phenyl)...)Copy SMILESCopy InChI

Affinity DataKi:  440nMAssay Description:Displacement of radiolabeled darglitazone from human PPAR gamma by SPA binding assayMore data for this Ligand-Target Pair

Target InfoPDBMMDBNCI pathwayReactome pathwayKEGG
UniProtKB/SwissProt
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Ligand InfoChEBI
CHEMBLPC cidPC sidPDBPatentsSimilars

In DepthDetails ArticlePubMedPDB3D Structure (crystal)
Copy BDB DOI

TargetPeroxisome proliferator-activated receptor gamma(Homo sapiens (Human))
Cnrs Umr 6052

Curated by ChEMBL

LigandBDBM28681(5-[(4-{2-[methyl(pyridin-2-yl)amino]ethoxy}phenyl)...)Copy SMILESCopy InChI

Affinity DataKi:  440nMAssay Description:Displacement of radiolabeled darglitazone from human PPAR gamma by SPA assayMore data for this Ligand-Target Pair

Target InfoPDBMMDBNCI pathwayReactome pathwayKEGG
UniProtKB/SwissProt
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Ligand InfoChEBI
CHEMBLPC cidPC sidPDBPatentsSimilars

In DepthDetails ArticlePubMedPDB3D Structure (crystal)
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TargetAmine oxidase [flavin-containing] B(Homo sapiens (Human))
TBA

Curated by ChEMBL

LigandBDBM28681(5-[(4-{2-[methyl(pyridin-2-yl)amino]ethoxy}phenyl)...)Copy SMILESCopy InChI

Affinity DataKi:  4.20E+3nMAssay Description:Competitive inhibition of human MAOB expressed in Pichia pastorisMore data for this Ligand-Target Pair

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Ligand InfoChEBI
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TargetAmine oxidase [flavin-containing] B(Rattus norvegicus (rat))
TBA

Curated by ChEMBL

LigandBDBM28681(5-[(4-{2-[methyl(pyridin-2-yl)amino]ethoxy}phenyl)...)Copy SMILESCopy InChI

Affinity DataKi:  5.80E+3nMAssay Description:Competitive inhibition of rat MAOB expressed in Pichia pastorisMore data for this Ligand-Target Pair

Target InfoPDBMMDBReactome pathwayKEGG
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In DepthDetails ArticlePubMed
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TargetRetinoic acid receptor gamma(Homo sapiens (Human))
Ligand Pharmaceuticals

Curated by ChEMBL

LigandBDBM28681(5-[(4-{2-[methyl(pyridin-2-yl)amino]ethoxy}phenyl)...)Copy SMILESCopy InChI

Affinity DataKi:  1.00E+4nMAssay Description:Binding affinity against Retinoic acid receptor gamma was determined in vitro by using [3H]-ATRA as radioligandMore data for this Ligand-Target Pair

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Ligand InfoChEBI
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TargetAmine oxidase [flavin-containing] A(Homo sapiens (Human))
TBA

Curated by ChEMBL

LigandBDBM28681(5-[(4-{2-[methyl(pyridin-2-yl)amino]ethoxy}phenyl)...)Copy SMILESCopy InChI

Affinity DataKi:  2.76E+4nMAssay Description:Competitive inhibition of human MAOA expressed in Pichia pastorisMore data for this Ligand-Target Pair

Target InfoPDBReactome pathway
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Ligand InfoChEBI
CHEMBLPC cidPC sidPDBPatentsSimilars

In DepthDetails ArticlePubMed
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TargetAmine oxidase [flavin-containing] A(Rattus norvegicus (rat))
TBA

Curated by ChEMBL

LigandBDBM28681(5-[(4-{2-[methyl(pyridin-2-yl)amino]ethoxy}phenyl)...)Copy SMILESCopy InChI

Affinity DataKi:  3.26E+4nMAssay Description:Competitive inhibition of rat MAOA expressed in Pichia pastorisMore data for this Ligand-Target Pair

Target InfoPDBMMDBReactome pathway
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Ligand InfoChEBI
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In DepthDetails ArticlePubMed
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TargetPeroxisome proliferator-activated receptor alpha(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL

LigandBDBM28681(5-[(4-{2-[methyl(pyridin-2-yl)amino]ethoxy}phenyl)...)Copy SMILESCopy InChI

Affinity DataKi: >3.33E+4nMAssay Description:In vitro binding affinity towards human peroxisome proliferator activated receptor alpha (PPAR alpha)More data for this Ligand-Target Pair

Target InfoPDBReactome pathway
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Ligand InfoChEBI
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In DepthDetails ArticlePubMed
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TargetPeroxisome proliferator-activated receptor delta(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL

LigandBDBM28681(5-[(4-{2-[methyl(pyridin-2-yl)amino]ethoxy}phenyl)...)Copy SMILESCopy InChI

Affinity DataKi: >3.33E+4nMAssay Description:In vitro binding affinity towards human peroxisome proliferator activated receptor delta (PPAR delta)More data for this Ligand-Target Pair

Target InfoPDBReactome pathway
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Ligand InfoChEBI
CHEMBLPC cidPC sidPDBPatentsSimilars

In DepthDetails ArticlePubMed
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