Table 4SAR Analysis for NOD1 Selective Xanthine Scaffold(Medicinal Chemistry & Cheminformatics Analysis)

Image ml146fu5.jpg
IC50 (µM) mean ± S.E.M. (n = replicates)NOD1 to NOD2 selectivity
#CIDSIDBCCG MLS-*R1R2R3nNOD1NOD2TNF-α
15310346
Probe
ML146		872254880012325P
Image ml146fu6.jpg
Image ml146fu7.jpg
H61.54 ± 0.1912.7 ± 3.444.6 ± 16.88.24
22989653875448090061481P
Image ml146fu8.jpg
Image ml146fu9.jpg
H29.3314.816.801.6
33111693875448390059529P
Image ml146fu10.jpg
Image ml146fu11.jpg
H212.317.6>201.4
4652751875448000013570P
Image ml146fu12.jpg
Image ml146fu13.jpg
H2>20>20>20-
5647508875447960018316P
Image ml146fu14.jpg
Image ml146fu15.jpg
H20.94>20>2021.3
6650170875448100047464P
Image ml146fu16.jpg
Image ml146fu17.jpg
H2>20>20>20-
75761205875448380018272P
Image ml146fu18.jpg
Image ml146fu19.jpg
H214.713.7>200.9
85761203875447950013615P
Image ml146fu20.jpg
Image ml146fu21.jpg
H211.7>20>201.7
9814607875447990342317P
Image ml146fu22.jpg
Image ml146fu23.jpg
H21.2218.1>2014.8
10653676875447940013818P
Image ml146fu24.jpg
Image ml146fu25.jpg
Me21.631.983.311.2
11649032875447970032434P
Image ml146fu26.jpg
Image ml146fu27.jpg
Me27.927.1913.10.9
12646940875447980082272P
Image ml146fu28.jpg
Image ml146fu29.jpg
H2>20>20>20-
13666267875448120004183P
Image ml146fu30.jpg
Image ml146fu31.jpg
Me22.182.215.691.0
14909915875448080298349P
Image ml146fu32.jpg
NO2H20.790.751.320.95
155389756875448110008596P
Image ml146fu33.jpg
Image ml146fu34.jpg
Me22.612.55.210.96

From: High Throughput Screening Assays for NOD1 Inhibitors - Probe 2

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