BDBM50639831 CHEMBL5561589

SMILES Cc1nc(NC(=O)c2sc3cc(F)ccc3c2Cl)c(C)c(C)c1O

InChI Key

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50639831   

TargetG-protein coupled estrogen receptor 1(Human)
Yeungnam University

Curated by ChEMBL
LigandPNGBDBM50639831(CHEMBL5561589)
Affinity DataKd:  1.80nMAssay Description:Binding affinity to human GPER assessed as dissociation constant by SPR methodMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed
TargetG-protein coupled estrogen receptor 1(Human)
Yeungnam University

Curated by ChEMBL
LigandPNGBDBM50639831(CHEMBL5561589)
Affinity DataKd:  2.40nMAssay Description:Binding affinity to human GPER by SPR methodMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed
TargetAmine oxidase [flavin-containing] B(Human)
Yeungnam University

Curated by ChEMBL
LigandPNGBDBM50639831(CHEMBL5561589)
Affinity DataIC50: 54nMAssay Description:Inhibition of MAOB (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed
TargetG-protein coupled estrogen receptor 1(Human)
Yeungnam University

Curated by ChEMBL
LigandPNGBDBM50639831(CHEMBL5561589)
Affinity DataEC50:  480nMAssay Description:Inhibition of GPER1 (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed
TargetProstaglandin G/H synthase 1(Human)
Yeungnam University

Curated by ChEMBL
LigandPNGBDBM50639831(CHEMBL5561589)
Affinity DataIC50: 800nMAssay Description:Inhibition of COX-1 (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed
TargetCaspase-3(Human)
Yeungnam University

Curated by ChEMBL
LigandPNGBDBM50639831(CHEMBL5561589)
Affinity DataIC50: 3.82E+3nMAssay Description:Inhibition of Caspase-3 (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed