BDBM50088494 BDBM50101974::CHEMBL3542292::CI-991::CS-045::GR-92132X::Gr92132X::Prelay::Rezulin::TROGLITAZONE

SMILES Cc1c(C)c2OC(C)(COc3ccc(CC4SC(=O)NC4=O)cc3)CCc2c(C)c1O

InChI Key InChIKey=GXPHKUHSUJUWKP-UHFFFAOYSA-N

Data  1 KI  4 IC50  4 EC50

PDB links: 1 PDB ID matches this monomer.

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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 50088494   

TargetPeroxisome proliferator-activated receptor gamma(Human)
Glaxo Wellcome Research and Development

Curated by ChEMBL
LigandPNGBDBM50088494(BDBM50101974 | CHEMBL3542292 | CI-991 | CS-045 | G...)
Affinity DataKi:  302nMAssay Description:Binding affinity against Peroxisome proliferator activated receptor gamma (PPAR gamma)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

TargetNuclear receptor subfamily 1 group I member 2(Human)
National Institutes of Health Chemical Genomics Center

Curated by ChEMBL
LigandPNGBDBM50088494(BDBM50101974 | CHEMBL3542292 | CI-991 | CS-045 | G...)
Affinity DataEC50:  3.16E+4nMAssay Description:Activation of human PXR expressed in human HepG2 (DPX-2) cells after 24 hrs by luciferase reporter gene based luminescent analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetNuclear receptor subfamily 1 group I member 2(Human)
National Institutes of Health Chemical Genomics Center

Curated by ChEMBL
LigandPNGBDBM50088494(BDBM50101974 | CHEMBL3542292 | CI-991 | CS-045 | G...)
Affinity DataEC50:  8.90E+3nMAssay Description:Competitive binding affinity to human PXR LBD (111 to 434) by TR-FRET assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetBile salt export pump(Rat)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50088494(BDBM50101974 | CHEMBL3542292 | CI-991 | CS-045 | G...)
Affinity DataIC50:  1.06E+4nMAssay Description:Inhibition of Sprague-Dawley rat Bsep expressed in plasma membrane vesicles of Sf21 cells assessed as inhibition of ATP-dependent [3H]taurocholate up...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetBile salt export pump(Human)
Amgen

Curated by ChEMBL
LigandPNGBDBM50088494(BDBM50101974 | CHEMBL3542292 | CI-991 | CS-045 | G...)
Affinity DataIC50:  5.90E+3nMAssay Description:Inhibition of human BSEP expressed in fall armyworm sf9 cell plasma membrane vesicles assessed as reduction in vesicle-associated [3H]-taurocholate t...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetBile salt export pump(Human)
Amgen

Curated by ChEMBL
LigandPNGBDBM50088494(BDBM50101974 | CHEMBL3542292 | CI-991 | CS-045 | G...)
Affinity DataIC50:  2.70E+3nMAssay Description:Inhibition of human BSEP expressed in plasma membrane vesicles of Sf21 cells assessed as inhibition of ATP-dependent [3H]taurocholate uptakeMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetPeroxisome proliferator-activated receptor gamma(Human)
Glaxo Wellcome Research and Development

Curated by ChEMBL
LigandPNGBDBM50088494(BDBM50101974 | CHEMBL3542292 | CI-991 | CS-045 | G...)
Affinity DataEC50:  537nMAssay Description:Transcriptional activation of peroxisome proliferator activated receptor gammaMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

TargetVoltage-dependent L-type calcium channel subunit alpha-1C(Rat)
Jagiellonian University

Curated by ChEMBL
LigandPNGBDBM50088494(BDBM50101974 | CHEMBL3542292 | CI-991 | CS-045 | G...)
Affinity DataIC50:  9.50E+3nMAssay Description:Inhibition of L-type calcium channel measured using whole-cell patch clamp in guinea pig ventricular myocytesMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetNuclear receptor subfamily 1 group I member 2(Human)
National Institutes of Health Chemical Genomics Center

Curated by ChEMBL
LigandPNGBDBM50088494(BDBM50101974 | CHEMBL3542292 | CI-991 | CS-045 | G...)
Affinity DataEC50:  6.90E+3nMAssay Description:Activation of human PXR expressed in human HepG2 (DPX-2) cells assessed as induction of CYP3A4 after 24 hrs by luminescent analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed