<p># Hits are compounds in series with activity <5 µM against the respective NMT. LHR = Local hit rate @ 0.4 similarity to indicate the proportion of similar compounds with activity in the primary screen. IC50 data are the mean of 3 separate experiments (in µM). These data were used to calculate ligand efficiency (LE) for each compound against their target NMT, and to derive selectivity (Sel) values for the primary screening targets.</p
The study of target specificity or selectivity of small molecules is an important task in drug desig...
<p>Ligand efficiency analysis of 10 selected compounds (C1-C10). (a) ClogP and (b) Fit Quality graph...
Despite a large body of references on assay development, assay optimization, strategies, and methodo...
<p>In contrast to <a href="http://www.plosntds.org/article/info:doi/10.1371/journal.pntd.0001625#pnt...
<p>Triage of the primary screening hits made use of local hit rate analysis; ligand efficiency again...
<p>Compounds with >40% activity against either <i>Ldon</i> [red], <i>Pfal</i> [yellow] or both NMT t...
The triage of compounds at the single-concentration screening phase of high-throughput screening (HT...
<p>Plot of ligand efficiencies (LE) of SPR confirmed hits vs. number of heavy atoms <i>N<sub>h.</sub...
This work provides an analysis of across-target bioactivity results in the screening data deposited ...
<p>(A) Plot of z-scores for each of the 2240 compounds subjected to the primary screen for ISRE acti...
<p>A) Scatter plot shows distribution of 25,000 compounds in regard to cell viability (%) in U2OS ce...
<p>All hit compounds identified were chemical clustered using pubchem finger prints. (A) The major c...
<p>The calculation of hit rates using test set compounds was used for validation.</p><p>All the Hypo...
<p>Of fifteen compounds surviving dose-response potency testing, five commercially-available molecul...
<p>EC<sub>50</sub> = Activity in HUVECs, IC<sub>50</sub> = Cytotoxicity in HepG2, D = Unique compoun...
The study of target specificity or selectivity of small molecules is an important task in drug desig...
<p>Ligand efficiency analysis of 10 selected compounds (C1-C10). (a) ClogP and (b) Fit Quality graph...
Despite a large body of references on assay development, assay optimization, strategies, and methodo...
<p>In contrast to <a href="http://www.plosntds.org/article/info:doi/10.1371/journal.pntd.0001625#pnt...
<p>Triage of the primary screening hits made use of local hit rate analysis; ligand efficiency again...
<p>Compounds with >40% activity against either <i>Ldon</i> [red], <i>Pfal</i> [yellow] or both NMT t...
The triage of compounds at the single-concentration screening phase of high-throughput screening (HT...
<p>Plot of ligand efficiencies (LE) of SPR confirmed hits vs. number of heavy atoms <i>N<sub>h.</sub...
This work provides an analysis of across-target bioactivity results in the screening data deposited ...
<p>(A) Plot of z-scores for each of the 2240 compounds subjected to the primary screen for ISRE acti...
<p>A) Scatter plot shows distribution of 25,000 compounds in regard to cell viability (%) in U2OS ce...
<p>All hit compounds identified were chemical clustered using pubchem finger prints. (A) The major c...
<p>The calculation of hit rates using test set compounds was used for validation.</p><p>All the Hypo...
<p>Of fifteen compounds surviving dose-response potency testing, five commercially-available molecul...
<p>EC<sub>50</sub> = Activity in HUVECs, IC<sub>50</sub> = Cytotoxicity in HepG2, D = Unique compoun...
The study of target specificity or selectivity of small molecules is an important task in drug desig...
<p>Ligand efficiency analysis of 10 selected compounds (C1-C10). (a) ClogP and (b) Fit Quality graph...
Despite a large body of references on assay development, assay optimization, strategies, and methodo...