BDBM50253802 2-(4-chloro-6-(2,3-dimethylphenylamino)pyrimidin-2-ylthio)propanoic acid::CHEMBL454691

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

InChI Key InChIKey=IITOMHQCBQHKGQ-UHFFFAOYSA-N

Data  2 IC50  10 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 12 hits for monomerid = 50253802   

TargetProstaglandin G/H synthase 1(Sheep)
Eberhard Karls University Tuebingen

Curated by ChEMBL
LigandPNGBDBM50253802(2-(4-chloro-6-(2,3-dimethylphenylamino)pyrimidin-2...)
Affinity DataIC50: 10nMAssay Description:Inhibition of ovine COX1More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/18/2012
Entry Details Article
PubMed
TargetProstaglandin G/H synthase 2(Human)
Eberhard Karls University Tuebingen

Curated by ChEMBL
LigandPNGBDBM50253802(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 Depth
Date in BDB:
12/18/2012
Entry Details Article
PubMed
TargetPeroxisome proliferator-activated receptor gamma(Human)
Goethe University Frankfurt

Curated by ChEMBL
LigandPNGBDBM50253802(2-(4-chloro-6-(2,3-dimethylphenylamino)pyrimidin-2...)
Affinity DataEC50:  1.30E+4nMAssay 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 Depth
Date in BDB:
2/26/2021
Entry Details Article
PubMed
TargetPeroxisome proliferator-activated receptor delta(Human)
Goethe University Frankfurt

Curated by ChEMBL
LigandPNGBDBM50253802(2-(4-chloro-6-(2,3-dimethylphenylamino)pyrimidin-2...)
Affinity DataEC50: >1.00E+5nMAssay Description:Activation of human Gal4-fused PPARdelta LBD transfected in HEK293T after 14 to 16 hrs by dual-glo luciferase reporter gene assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/26/2021
Entry Details Article
PubMed
TargetRetinoic acid receptor RXR-beta(Human)
Goethe University Frankfurt

Curated by ChEMBL
LigandPNGBDBM50253802(2-(4-chloro-6-(2,3-dimethylphenylamino)pyrimidin-2...)
Affinity DataEC50:  8.70E+4nMAssay Description:Activation of human Gal4-fused RXRbeta LBD transfected in HEK293T after 14 to 16 hrs by dual-glo luciferase reporter gene assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/26/2021
Entry Details Article
PubMed
TargetRetinoic acid receptor RXR-alpha(Human)
Goethe University Frankfurt

Curated by ChEMBL
LigandPNGBDBM50253802(2-(4-chloro-6-(2,3-dimethylphenylamino)pyrimidin-2...)
Affinity DataEC50:  2.70E+4nMAssay Description:Activation of human Gal4-fused RXRalpha LBD transfected in HEK293T after 14 to 16 hrs by dual-glo luciferase reporter gene assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/26/2021
Entry Details Article
PubMed
TargetPeroxisome proliferator-activated receptor alpha(Human)
Goethe University Frankfurt

Curated by ChEMBL
LigandPNGBDBM50253802(2-(4-chloro-6-(2,3-dimethylphenylamino)pyrimidin-2...)
Affinity DataEC50:  8.70E+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 Depth
Date in BDB:
2/26/2021
Entry Details Article
PubMed
TargetPeroxisome proliferator-activated receptor gamma(Human)
Goethe University Frankfurt

Curated by ChEMBL
LigandPNGBDBM50253802(2-(4-chloro-6-(2,3-dimethylphenylamino)pyrimidin-2...)
Affinity DataEC50:  1.30E+4nMAssay 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 Depth
Date in BDB:
2/26/2021
Entry Details Article
PubMed
TargetRetinoic acid receptor RXR-beta(Human)
Goethe University Frankfurt

Curated by ChEMBL
LigandPNGBDBM50253802(2-(4-chloro-6-(2,3-dimethylphenylamino)pyrimidin-2...)
Affinity DataEC50:  8.70E+4nMAssay Description:Activation of human Gal4-fused RXRbeta LBD transfected in HEK293T after 14 to 16 hrs by dual-glo luciferase reporter gene assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/26/2021
Entry Details Article
PubMed
TargetPeroxisome proliferator-activated receptor delta(Human)
Goethe University Frankfurt

Curated by ChEMBL
LigandPNGBDBM50253802(2-(4-chloro-6-(2,3-dimethylphenylamino)pyrimidin-2...)
Affinity DataEC50: >1.00E+5nMAssay Description:Activation of human Gal4-fused PPARdelta LBD transfected in HEK293T after 14 to 16 hrs by dual-glo luciferase reporter gene assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/26/2021
Entry Details Article
PubMed
TargetPeroxisome proliferator-activated receptor alpha(Human)
Goethe University Frankfurt

Curated by ChEMBL
LigandPNGBDBM50253802(2-(4-chloro-6-(2,3-dimethylphenylamino)pyrimidin-2...)
Affinity DataEC50:  8.70E+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 Depth
Date in BDB:
2/26/2021
Entry Details Article
PubMed
TargetRetinoic acid receptor RXR-alpha(Human)
Goethe University Frankfurt

Curated by ChEMBL
LigandPNGBDBM50253802(2-(4-chloro-6-(2,3-dimethylphenylamino)pyrimidin-2...)
Affinity DataEC50:  2.70E+4nMAssay Description:Activation of human Gal4-fused RXRalpha LBD transfected in HEK293T after 14 to 16 hrs by dual-glo luciferase reporter gene assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/26/2021
Entry Details Article
PubMed