SAR Table 2Additional synthesized and purchased analogs

Compound InformationScreening AssaysProbe Development (AIDs 1806 and 2078)
CompoundSR-NumberStructureCIDSIDMLS IDVendorVendor Catalog IDSTAT3 Primary (AID-862: %INH)STAT1 Primary (AID-920: %INH)STAT3 Confirmation (AID-1265: %INH)NFkB (3X Counterscreen (AID-1308: %INH)STAT1 (3X Counterscreen (AID-1317: %INH)STAT3 Dose Response (AID-1399: IC50, μM)STAT1 Dose Response Counterscreen (AID-1411: IC50, μM)STAT3 IC50 (μM)STAT1 IC50 (μM)Cytotoxicity AssayqPCR Assay
Analog 6SR- 03000000876
Image ml116fu15.jpg
67543057288075NonePrinceton BioMolecularOSSK_852766These compounds were not in the MLSMR collectionInactive (20)Inactive (>56)See below
Analog 7SR- 03000000838
Image ml116fu16.jpg
1658279857288040NoneUkrOrgSyn thesisPB221597938Inactive (5.21)Inactive (>56)
Analog 8SR- 01000307211
Image ml116fu17.jpg
147820857287832MLS000720742Key Organics4X-0850Inactive (24.5%)Inactive (22.17%)See below*Inactive (13.7)Inactive (>56)
Analog 9SR- 03000000836
Image ml116fu18.jpg
201288657288038NoneEnamineT5751803These compounds were not in the MLSMR collectionInactive (16.7)Inactive (>56)
Analog 10SR- 03000000830
Image ml116fu19.jpg
223888857288032NoneEnamineZT- 2781134Inactive (>18.6 )Inactive (>56)
Analog 11SR- 01000307258
Image ml116fu20.jpg
147819357287833NoneKey Organics4X-0832Inactive (>18.6 )Inactive (>56)
Analog 12SR- 03000000835
Image ml116fu21.jpg
2518130057288037NoneEnamineZ128135924Inactive (>18.6 )Inactive (>56)
Analog 13SR- 03000000840
Image ml116fu22.jpg
224137657288042NoneEnamineT5890287Inactive (>56)Inactive (>56)
*

This compound was not tested due to inactivity in the Primary screen.

These compounds were not tested due to lower target potency, compared to probe.

From: Modulators of STAT Transcription Factors for the Targeted Therapy of Cancer (STAT3 Inhibitors)

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Probe Reports from the NIH Molecular Libraries Program [Internet].

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