BDBM643116 US20240002339, Example 53

SMILES COC(=O)c1ccc(c(c1)C(=O)O)NCCc2c[nH]c3c2cccc3

InChI Key InChIKey=SGTZBEQVIHRDED-UHFFFAOYSA-N

Data  2 IC50

PDB links: 1 PDB ID matches this monomer.

  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 2 hits for monomerid = 643116   

TargetCyclin-dependent kinase 2(Human)
University of Minnesota

US Patent
LigandPNGBDBM643116(US20240002339, Example 53)
Affinity DataIC50: 1.00E+4nMAssay Description:CDK2 was thawed at room temperature and buffer exchanged using Zeba spin desalting columns. The final ITC buffer was 1×PBS, 10 mM MgCl2, and 5% glyce...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/28/2024
Entry Details
Go to US Patent
PDB3D3D Structure (crystal)
TargetCyclin-dependent kinase 2(Human)
University of Minnesota

US Patent
LigandPNGBDBM643116(US20240002339, Example 53)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of 8-((4-chlorophenyl)amino)naphthalene-1-sulfonic acid binding to CDK2 (unknown origin) measured after 2 hrs by fluorescence based analys...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/22/2024
Entry Details
PubMedPDB3D3D Structure (crystal)