BDBM50530346 CHEMBL4575123

SMILES c1cc2c(c(c1)Nc3cc(nc(n3)SCC(=O)O)Cl)CCCC2

InChI Key InChIKey=BPCUCWYWVVQEIW-UHFFFAOYSA-N

Data  4 Kd  12 EC50

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 16 hits for monomerid = 50530346   

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

Curated by ChEMBL

LigandBDBM50530346(CHEMBL4575123)Copy SMILESCopy InChI

Affinity DataKd:  870nMAssay 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 DOIPubMedPDB3D Structure (crystal)
Copy Rxn URL

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

Curated by ChEMBL

LigandBDBM50530346(CHEMBL4575123)Copy SMILESCopy InChI

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

Target InfoPDB
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-beta(Human)
Goethe University Frankfurt

Curated by ChEMBL

LigandBDBM50530346(CHEMBL4575123)Copy SMILESCopy InChI

Affinity DataEC50:  2.30E+3nMAssay 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 DOIPubMed
Copy Rxn URL

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

Curated by ChEMBL

LigandBDBM50530346(CHEMBL4575123)Copy SMILESCopy InChI

Affinity DataEC50:  1.40E+3nMAssay 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 DOIPubMed
Copy Rxn URL

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

Curated by ChEMBL

LigandBDBM50530346(CHEMBL4575123)Copy SMILESCopy InChI

Affinity DataKd:  350nMAssay 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 DOIPubMed
Copy Rxn URL

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

Curated by ChEMBL

LigandBDBM50530346(CHEMBL4575123)Copy SMILESCopy InChI

Affinity DataEC50:  7.10E+3nMAssay 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

Target InfoPDB
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPC cidPC sidPDBSimilars

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

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

Curated by ChEMBL

LigandBDBM50530346(CHEMBL4575123)Copy SMILESCopy InChI

Affinity DataEC50:  2.10E+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

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 alpha(Human)
Goethe University Frankfurt

Curated by ChEMBL

LigandBDBM50530346(CHEMBL4575123)Copy SMILESCopy InChI

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

Target InfoPDB
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPC cidPC sidPDBSimilars

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

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

Curated by ChEMBL

LigandBDBM50530346(CHEMBL4575123)Copy SMILESCopy InChI

Affinity DataEC50:  7.10E+3nMAssay 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

Target InfoPDB
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPC cidPC sidPDBSimilars

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

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

Curated by ChEMBL

LigandBDBM50530346(CHEMBL4575123)Copy SMILESCopy InChI

Affinity DataEC50:  2.10E+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

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

LigandBDBM50530346(CHEMBL4575123)Copy SMILESCopy InChI

Affinity DataKd:  870nMAssay 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 DOIPubMedPDB3D Structure (crystal)
Copy Rxn URL

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

Curated by ChEMBL

LigandBDBM50530346(CHEMBL4575123)Copy SMILESCopy InChI

Affinity DataEC50:  1.40E+3nMAssay 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 DOIPubMed
Copy Rxn URL

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

Curated by ChEMBL

LigandBDBM50530346(CHEMBL4575123)Copy SMILESCopy InChI

Affinity DataEC50:  3.20E+3nMAssay 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 DOIPubMed
Copy Rxn URL

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

Curated by ChEMBL

LigandBDBM50530346(CHEMBL4575123)Copy SMILESCopy InChI

Affinity DataEC50:  3.20E+3nMAssay 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 DOIPubMed
Copy Rxn URL

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

Curated by ChEMBL

LigandBDBM50530346(CHEMBL4575123)Copy SMILESCopy InChI

Affinity DataEC50:  2.30E+3nMAssay 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 DOIPubMed
Copy Rxn URL

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

Curated by ChEMBL

LigandBDBM50530346(CHEMBL4575123)Copy SMILESCopy InChI

Affinity DataKd:  350nMAssay 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 DOIPubMed
Copy Rxn URL