BDBM454641 US10730865, Example 32

SMILES CCc1nnc(SCC(=O)Nc2nnc(s2)-c2ccc(cc2)C#N)n1CC

InChI Key InChIKey=VMKILHYTGBFNHJ-UHFFFAOYSA-N

Data  1 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 454641   

TargetAquaporin-9(Human)
Apoglyx

US Patent
LigandPNGBDBM454641(US10730865, Example 32)
Affinity DataEC50:  43nMAssay Description:A calcein quenching fluostar assay was performed in order to investigate the biological activity of the newly synthesized examples 1 to 57. This type...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/27/2021
Entry Details
Go to US Patent