BDBM642988 US20240002339, Example 1

SMILES OC(=O)c1cc(ccc1NCCc1c[nH]c2ccccc12)[N+]([O-])=O

InChI Key InChIKey=GOMFPMNFGUSIKQ-UHFFFAOYSA-N

Data  3 IC50  3 Kd

PDB links: 3 PDB IDs match this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 642988   

TargetCyclin-dependent kinase 2(Human)
University of Minnesota

US Patent
LigandPNGBDBM642988(US20240002339, Example 1)
Affinity DataIC50: 4.60E+3nMAssay 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 DepthDetails
US Patent
PDB3D3D Structure (crystal)
TargetCyclin-dependent kinase 2(Human)
University of Minnesota

US Patent
LigandPNGBDBM642988(US20240002339, Example 1)
Affinity DataKd:  4.90E+3nMAssay Description:Briefly, a Biacore S200 (Cytiva) at 20° C. and CM5 chips were used for binding analysis. Multi-cycle runs were used for small molecule binding analys...More data for this Ligand-Target Pair
In DepthDetails
US Patent
PDB3D3D Structure (crystal)
TargetCyclin-dependent kinase 2(Human)
University of Minnesota

US Patent
LigandPNGBDBM642988(US20240002339, Example 1)
Affinity DataKd:  1.80E+3nMAssay Description:Compounds in DMSO (1% final) were added to 384-well black clear bottom plates (Greiner 781091) in 8-point dose response in duplicate using the Echo 5...More data for this Ligand-Target Pair
In DepthDetails
US Patent
PDB3D3D Structure (crystal)
TargetCyclin-dependent kinase 2(Human)
University of Minnesota

US Patent
LigandPNGBDBM642988(US20240002339, Example 1)
Affinity DataKd:  5.20E+3nMAssay Description:Inhibition of CDK2 (unknown origin) assessed as dissociation constant by ITC assayMore data for this Ligand-Target Pair
In DepthDetails
PubMedPDB3D3D Structure (crystal)
TargetCyclin-dependent kinase 2(Human)
University of Minnesota

US Patent
LigandPNGBDBM642988(US20240002339, Example 1)
Affinity DataIC50: 4.60E+3nMAssay 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 DepthDetails
PubMedPDB3D3D Structure (crystal)
TargetCyclin-dependent kinase 2(Human)
University of Minnesota

US Patent
LigandPNGBDBM642988(US20240002339, Example 1)
Affinity DataIC50: 5.70E+3nMAssay Description:Inhibition of 8-((4-chlorophenyl)amino)naphthalene-1-sulfonic acid binding to CDK2 (unknown origin) incubated for 2 hrs in presence of staurosporine ...More data for this Ligand-Target Pair
In DepthDetails
PubMedPDB3D3D Structure (crystal)