BDBM489214 US10961233, Example 69

SMILES CN(C)CCCS(=O)(=O)N1CCN(CC1)c2ccc(c(c2)NC(=O)c3coc(n3)N)Br

InChI Key InChIKey=GTJMWLKWMPRNKA-UHFFFAOYSA-N

Data  1 IC50

PDB links: 1 PDB ID matches this monomer.

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 489214   

LigandPNGBDBM489214(US10961233, Example 69)
Affinity DataIC50: 10nMAssay Description:5 μl WT full length PAICS (final assay concentration, fac, 2.5 nM) in basic buffer, added to black, non-binding, 384-well plates (Corning #3575)...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/4/2021
Entry Details
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PDB3D3D Structure (crystal)