BDBM50648137 CHEMBL5597482

SMILES CC(C)c1cc(Oc2c(Cl)cc(-n3nc(N)c(=O)[nH]c3=O)cc2Cl)n[nH]c1=O

InChI Key

PDB links: 2 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50648137   

TargetThyroid hormone receptor beta(Human)
Aligos Belgium BV

Curated by ChEMBL
LigandPNGBDBM50648137(CHEMBL5597482)
Affinity DataEC50:  50nMAssay Description:Agonist activity at THR-beta in HEK293T cells incubated for 18 to 24 hrs by EnSpire plate reader analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetThyroid hormone receptor beta(Human)
Aligos Belgium BV

Curated by ChEMBL
LigandPNGBDBM50648137(CHEMBL5597482)
Affinity DataEC50:  63nMAssay Description:Agonist activity at full length GST-tagged human THR-beta LBD incubated for 1 hr in presence of fluorescein labeled SRC2-2 peptide by Lanthascreen TR...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetThyroid hormone receptor alpha(Human)
Aligos Belgium BV

Curated by ChEMBL
LigandPNGBDBM50648137(CHEMBL5597482)
Affinity DataEC50:  191nMAssay Description:Agonist activity at THR-alpha in HEK293T cells incubated for 18 to 24 hrs by EnSpire plate reader analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetThyroid hormone receptor alpha(Human)
Aligos Belgium BV

Curated by ChEMBL
LigandPNGBDBM50648137(CHEMBL5597482)
Affinity DataEC50:  360nMAssay Description:Agonist activity at full length GST-tagged human THR-alpha LBD incubated for 1 hr in presence of fluorescein labeled SRC2-2 peptide by Lanthascreen T...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMedPDB3D3D Structure (crystal)
LigandPNGBDBM50648137(CHEMBL5597482)
Affinity DataIC50: 2.38E+4nMAssay Description:Inhibition of OATP1B1 (unknown origin) stably transfected in HEK293 cells at 1 to 100 uMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
LigandPNGBDBM50648137(CHEMBL5597482)
Affinity DataIC50: 3.44E+4nMAssay Description:Substrate activity at BCRP in human Caco-2 cells at 0.0457 to 100 uM measured for 120 minsMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetUDP-glucuronosyltransferase 1A1(Human)
Aligos Belgium BV

Curated by ChEMBL
LigandPNGBDBM50648137(CHEMBL5597482)
Affinity DataIC50: 3.75E+4nMAssay Description:Inhibition of human recombinant UGT1A1 in presence of UDPGA cofactorMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed