BDBM50273681 2-(4-chloro-6-(2,3-dimethylphenylamino)pyrimidin-2-ylthio)hexanoic acid::CHEMBL459972

SMILES CCCCC(Sc1nc(Cl)cc(Nc2cccc(C)c2C)n1)C(O)=O

InChI Key InChIKey=CDBPVIZQDYDVOE-UHFFFAOYSA-N

Data  2 IC50  2 Kd  6 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 50273681   

TargetPeroxisome proliferator-activated receptor alpha(Human)
Goethe-University Frankfurt

Curated by ChEMBL
LigandPNGBDBM50273681(2-(4-chloro-6-(2,3-dimethylphenylamino)pyrimidin-2...)
Affinity DataEC50:  1.20E+3nMAssay Description:Agonist activity at wild-type human PPARalpha LBD expressed in COS7 cells after 12 hrs by Dual-Glo luciferase assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetPeroxisome proliferator-activated receptor gamma(Human)
Goethe-University Frankfurt

Curated by ChEMBL
LigandPNGBDBM50273681(2-(4-chloro-6-(2,3-dimethylphenylamino)pyrimidin-2...)
Affinity DataEC50:  3.00E+3nMAssay Description:Agonist activity at human PPARgamma LBD expressed in COS7 cells after 12 hrs by Dual-Glo luciferase assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetProstaglandin G/H synthase 1(Sheep)
Eberhard Karls University Tuebingen

Curated by ChEMBL
LigandPNGBDBM50273681(2-(4-chloro-6-(2,3-dimethylphenylamino)pyrimidin-2...)
Affinity DataIC50: 10nMAssay Description:Inhibition of ovine COX1More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetProstaglandin G/H synthase 2(Human)
Eberhard Karls University Tuebingen

Curated by ChEMBL
LigandPNGBDBM50273681(2-(4-chloro-6-(2,3-dimethylphenylamino)pyrimidin-2...)
Affinity DataIC50: 10nMAssay Description:Inhibition of human recombinant COX2More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetPeroxisome proliferator-activated receptor alpha(Human)
Goethe-University Frankfurt

Curated by ChEMBL
LigandPNGBDBM50273681(2-(4-chloro-6-(2,3-dimethylphenylamino)pyrimidin-2...)
Affinity DataEC50:  1.20E+3nMAssay Description:Activation of human Gal4-fused PPARalpha LBD transfected in HEK293T after 14 to 16 hrs by dual-glo luciferase reporter gene assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetPeroxisome proliferator-activated receptor gamma(Human)
Goethe-University Frankfurt

Curated by ChEMBL
LigandPNGBDBM50273681(2-(4-chloro-6-(2,3-dimethylphenylamino)pyrimidin-2...)
Affinity DataEC50:  3.00E+3nMAssay Description:Activation of human Gal4-fused PPARgamma LBD transfected in HEK293T after 14 to 16 hrs by dual-glo luciferase reporter gene assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetPeroxisome proliferator-activated receptor gamma(Human)
Goethe-University Frankfurt

Curated by ChEMBL
LigandPNGBDBM50273681(2-(4-chloro-6-(2,3-dimethylphenylamino)pyrimidin-2...)
Affinity DataKd:  1.28E+3nMAssay Description:Binding affinity to recombinant PPARgamma (unknown origin) by isothermal titration calorimetryMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetPeroxisome proliferator-activated receptor gamma(Human)
Goethe-University Frankfurt

Curated by ChEMBL
LigandPNGBDBM50273681(2-(4-chloro-6-(2,3-dimethylphenylamino)pyrimidin-2...)
Affinity DataEC50:  3.00E+3nMAssay Description:Activation of human Gal4-fused PPARgamma LBD transfected in HEK293T after 14 to 16 hrs by dual-glo luciferase reporter gene assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetPeroxisome proliferator-activated receptor gamma(Human)
Goethe-University Frankfurt

Curated by ChEMBL
LigandPNGBDBM50273681(2-(4-chloro-6-(2,3-dimethylphenylamino)pyrimidin-2...)
Affinity DataKd:  1.28E+3nMAssay Description:Binding affinity to recombinant PPARgamma (unknown origin) by isothermal titration calorimetryMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetPeroxisome proliferator-activated receptor alpha(Human)
Goethe-University Frankfurt

Curated by ChEMBL
LigandPNGBDBM50273681(2-(4-chloro-6-(2,3-dimethylphenylamino)pyrimidin-2...)
Affinity DataEC50:  1.20E+3nMAssay Description:Activation of human Gal4-fused PPARalpha LBD transfected in HEK293T after 14 to 16 hrs by dual-glo luciferase reporter gene assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed