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. Author manuscript; available in PMC: 2021 Jan 25.
Published in final edited form as: J Med Chem. 2020 Sep 27;63(19):10984–11011. doi: 10.1021/acs.jmedchem.0c00916

Table 6.

koff and Residence Time (τ) Data Correlation to Cell Activity for Selected Analogues

A673 cells
 MiaPaCa-2 cells
cpd. KD (nM)a residence time τ (h) off ratea koff (×104) lactate inh IC50 (nM)a cytotox IC50 (nM) lactate inh IC50 (nM)a cytotox IC50 (nM)a
 1 0.11 0.35 8 450 2454 636 8448
 23 0.0193 >277 0.01 509 100 333 314
 38 0.1235 >277 0.01 487 939 424 848
 43 0.0667 >277 0.01 873 119 403 257
 52 0.0634 >277 0.01 760 105 367 347
a

KD and koff were determined via SPR on a Mass-1 instrument from Sierra Sensors and residence time τ was calculated as 1/koff (s−1).