BDBM643056 US20240002339, Example 7

SMILES Nc1c(ccc(NCCc2c[nH]c3ccccc23)c1C(O)=O)[N+]([O-])=O

InChI Key InChIKey=WPCHEEXMFNBLTA-UHFFFAOYSA-N

Data  1 IC50  1 Kd

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 643056   

TargetCyclin-dependent kinase 2(Human)
University of Minnesota

US Patent
LigandPNGBDBM643056(US20240002339, Example 7)
Affinity DataIC50: 4.10E+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 Depth
Date in BDB:
2/28/2024
Entry Details
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TargetCyclin-dependent kinase 2(Human)
University of Minnesota

US Patent
LigandPNGBDBM643056(US20240002339, Example 7)
Affinity DataKd:  4.40E+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 Depth
Date in BDB:
2/28/2024
Entry Details
Go to US Patent