BDBM50509781 CHEMBL4450852

SMILES OC(=O)CC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)c1cc2cc(Cl)ccc2[nH]1)C(=O)Nc1ccc(OC(F)(F)F)cc1

InChI Key InChIKey=MLLGKYJIOWULMN-UHFFFAOYSA-N

Data  1 KI  1 IC50  1 Kd

  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 4 hits for monomerid = 50509781   

TargetCatenin beta-1(Human)
University of Southampton

Curated by ChEMBL
LigandPNGBDBM50509781(CHEMBL4450852 | US20250289848, Example 34)
Affinity DataKd:  420nMAssay Description:Binding affinity to beta catenin (unknown origin) assessed as dissociation constant by VP-ITC methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/18/2023
Entry Details
PubMed
TargetCatenin beta-1 (138-781), Transcription Factor 4 (7-51), and Cadherin-1 (819-873)(Human)
H. Lee Moffitt Cancer Center and Research Institute

US Patent
LigandPNGBDBM50509781(CHEMBL4450852 | US20250289848, Example 34)
Affinity DataKi:  1.90E+3nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/4/2026
Entry Details
US Patent

TargetCatenin beta-1(Human)
University of Southampton

Curated by ChEMBL
LigandPNGBDBM50509781(CHEMBL4450852 | US20250289848, Example 34)
Affinity DataKi:  1.90E+3nMAssay Description:Inhibition of C-terminal fluorescein-labeled human TCF4 (7 to 51 residues) binding to wild-type C-terminal His6-tagged beta-catenin (138 to 781 resid...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/20/2021
Entry Details Article
PubMed
TargetCatenin beta-1(Human)
University of Southampton

Curated by ChEMBL
LigandPNGBDBM50509781(CHEMBL4450852 | US20250289848, Example 34)
Affinity DataIC50: 7.50E+3nMAssay Description:Inhibition of C-terminal fluorescein-labeled human TCF4 (7 to 51 residues) binding to wild-type C-terminal His6-tagged beta-catenin (138 to 781 resid...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/20/2021
Entry Details Article
PubMed