BDBM50530344 CHEMBL4558880

SMILES CN(c1cccc2c1CCC2)c3cc(nc(n3)OCCC(=O)O)C(F)(F)F

InChI Key InChIKey=YMSJOQCCWIPKGF-UHFFFAOYSA-N

Data  4 Kd  6 EC50

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 50530344   

TargetRetinoic acid receptor RXR-alpha(Human)
Goethe University Frankfurt

Curated by ChEMBL

LigandBDBM50530344(CHEMBL4558880)Copy SMILESCopy InChI

Affinity DataKd:  95nMAssay Description:Binding affinity to recombinant RXRalpha (unknown origin) by isothermal titration calorimetryMore data for this Ligand-Target Pair

Target InfoPDBKEGG
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPC cidPC sidPDBSimilars

In Depth
Date in BDB:
2/26/2021
Entry Details Article
Copy Entry DOIPubMedPDB3D Structure (crystal)
Copy Rxn URL

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

Curated by ChEMBL

LigandBDBM50530344(CHEMBL4558880)Copy SMILESCopy InChI

Affinity DataKd:  950nMAssay Description:Binding affinity to recombinant PPARgamma (unknown origin) by isothermal titration calorimetryMore data for this Ligand-Target Pair

Target InfoPDBKEGG
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPC cidPC sidPDBSimilars

In Depth
Date in BDB:
2/26/2021
Entry Details Article
Copy Entry DOIPubMed
Copy Rxn URL

TargetRetinoic acid receptor RXR-gamma(Human)
Goethe University Frankfurt

Curated by ChEMBL

LigandBDBM50530344(CHEMBL4558880)Copy SMILESCopy InChI

Affinity DataEC50:  360nMAssay Description:Activation of human Gal4-fused RXRgamma LBD transfected in HEK293T after 14 to 16 hrs by dual-glo luciferase reporter gene assayMore data for this Ligand-Target Pair

Target InfoPDBKEGG
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPC cidPC sidPDBSimilars

In Depth
Date in BDB:
2/26/2021
Entry Details Article
Copy Entry DOIPubMedPDB3D Structure (crystal)
Copy Rxn URL

TargetRetinoic acid receptor RXR-gamma(Human)
Goethe University Frankfurt

Curated by ChEMBL

LigandBDBM50530344(CHEMBL4558880)Copy SMILESCopy InChI

Affinity DataEC50:  360nMAssay Description:Activation of human Gal4-fused RXRgamma LBD transfected in HEK293T after 14 to 16 hrs by dual-glo luciferase reporter gene assayMore data for this Ligand-Target Pair

Target InfoPDBKEGG
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPC cidPC sidPDBSimilars

In Depth
Date in BDB:
2/26/2021
Entry Details Article
Copy Entry DOIPubMedPDB3D Structure (crystal)
Copy Rxn URL

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

Curated by ChEMBL

LigandBDBM50530344(CHEMBL4558880)Copy SMILESCopy InChI

Affinity DataKd:  950nMAssay Description:Binding affinity to recombinant PPARgamma (unknown origin) by isothermal titration calorimetryMore data for this Ligand-Target Pair

Target InfoPDBKEGG
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPC cidPC sidPDBSimilars

In Depth
Date in BDB:
2/26/2021
Entry Details Article
Copy Entry DOIPubMed
Copy Rxn URL

TargetRetinoic acid receptor RXR-alpha(Human)
Goethe University Frankfurt

Curated by ChEMBL

LigandBDBM50530344(CHEMBL4558880)Copy SMILESCopy InChI

Affinity DataEC50:  93nMAssay 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

Target InfoPDBKEGG
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPC cidPC sidPDBSimilars

In Depth
Date in BDB:
2/26/2021
Entry Details Article
Copy Entry DOIPubMedPDB3D Structure (crystal)
Copy Rxn URL

TargetRetinoic acid receptor RXR-beta(Human)
Goethe University Frankfurt

Curated by ChEMBL

LigandBDBM50530344(CHEMBL4558880)Copy SMILESCopy InChI

Affinity DataEC50:  143nMAssay 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

Target InfoPDBKEGG
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPC cidPC sidPDBSimilars

In Depth
Date in BDB:
2/26/2021
Entry Details Article
Copy Entry DOIPubMedPDB3D Structure (crystal)
Copy Rxn URL

TargetRetinoic acid receptor RXR-alpha(Human)
Goethe University Frankfurt

Curated by ChEMBL

LigandBDBM50530344(CHEMBL4558880)Copy SMILESCopy InChI

Affinity DataEC50:  93nMAssay 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

Target InfoPDBKEGG
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPC cidPC sidPDBSimilars

In Depth
Date in BDB:
2/26/2021
Entry Details Article
Copy Entry DOIPubMedPDB3D Structure (crystal)
Copy Rxn URL

TargetRetinoic acid receptor RXR-beta(Human)
Goethe University Frankfurt

Curated by ChEMBL

LigandBDBM50530344(CHEMBL4558880)Copy SMILESCopy InChI

Affinity DataEC50:  143nMAssay 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

Target InfoPDBKEGG
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPC cidPC sidPDBSimilars

In Depth
Date in BDB:
2/26/2021
Entry Details Article
Copy Entry DOIPubMedPDB3D Structure (crystal)
Copy Rxn URL

TargetRetinoic acid receptor RXR-alpha(Human)
Goethe University Frankfurt

Curated by ChEMBL

LigandBDBM50530344(CHEMBL4558880)Copy SMILESCopy InChI

Affinity DataKd:  95nMAssay Description:Binding affinity to recombinant RXRalpha (unknown origin) by isothermal titration calorimetryMore data for this Ligand-Target Pair

Target InfoPDBKEGG
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPC cidPC sidPDBSimilars

In Depth
Date in BDB:
2/26/2021
Entry Details Article
Copy Entry DOIPubMedPDB3D Structure (crystal)
Copy Rxn URL