BDBM192755 TG101209::US11279703, TABLE 6.171::US11643396, Example TG101209

SMILES CN1CCN(CC1)c1ccc(Nc2ncc(C)c(Nc3cccc(c3)S(=O)(=O)NC(C)(C)C)n2)cc1

InChI Key InChIKey=JVDOKQYTTYUYDV-UHFFFAOYSA-N

Data  40 IC50  2 Kd

PDB links: 3 PDB IDs match this monomer.

  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 1 hit for monomerid = 192755   

TargetSerine/threonine-protein kinase/endoribonuclease IRE1 [547-977](Homo sapiens (Human))
University of Washington

LigandPNGBDBM192755(TG101209 | US11279703, TABLE 6.171 | US11643396, E...)
Affinity DataIC50:  3.50E+3nMpH: 7.5Assay Description:Inhibitors (initial concentration 10 or 60 μM, three-fold serial dilutions) were incubated with IRE1α* in cleavage buffer (20 mM HEPES at p...More data for this Ligand-Target Pair
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