Table S4SAR Analysis for Target: Non Aromatic sub for Phenyl

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Potency and Selectivity Analysis
% INH Reco mb (AID 463110)% INH Endogenous GSTO1 in vitro (AID 463098, 463102)Total anti-target hits (AID 463102)Target to anti-target fold selectivity (AID 463102)
Entrylab nameCIDSID*SRIDYR2R31 μM1 μM0.1 μM1 μM10 μM
75B10496198292709093SR-01000754973-2
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HPropyl63%0%NTNTNTNT
76K081200485992709060SR-01000710459-2
Image ml175fu41.jpg
p-Me phenyl
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61%NTNTNTNTNT
77C031200495292709044SR-01000703340-2
Image ml175fu41.jpg
p-Cl phenyl
Image ml175fu42.jpg
52%NTNTNTNTNT
78E03-21200495792709040SR-01000703058-2
Image ml175fu41.jpg
o-Me phenyl
Image ml175fu42.jpg
NT0%NTNTNTNT
79P03-2408656992709041SR-01000703141-2
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o-Me phenyl
Image ml175fu42.jpg
NT25%NTNTNTNT
80G03-2500975092708983SR-01000052710-3
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H
Image ml175fu45.jpg
NT26%NTNTNTNT
81D04-2210399592709087SR-01000748909-2IsopropylH
Image ml175fu46.jpg
NT7%NTNTNTNT
82A11211327092709039SR-01000703026-2EthylH
Image ml175fu47.jpg
11%NTNTNTNTNT
83G06241408792708982SR-01000049676-3PropylH
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4%NTNTNTNTNT
*

All compounds were obtained from DPI as liquids

colorscheme: green = passed threshold for activity; red = did not pass threshold for activity; grey = not tested

NT = Not Tested

From: Optimization and Characterization of an Inhibitor for Glutathione S-Tranferase Omega 1 (GSTO1)

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

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