ChAFF_dataset_summary.csv

Type,DatasetName,AID,AID_confirmatory,NumActiveCompounds,Paper Title,Reference,URL,Assay Name,Description
Absorbance,,632,,43,A Novel Class of Small Molecule Inhibitors of Hsp90,"(Yi, 2008, 10.1021/cb800162x)",,Confirmation Concentration-Response Assay and Counterscreen for Disrupters of an Hsp90 Co-Chaperone Interaction,Interference compounds have a score of 10
Absorbance,,1641,,92,Identification of Compounds That Interfere with High-Throughput Screening Assay Technologies,"(David, 2019, 10.1002/cmdc.201900395)",,TR-FRET counterscreen for FAK inhibitors: dose-response biochemical high throughput screening assay to identify inhibitors of Proline-rich tyrosine kinase 2 (Pyk2),TR-FRET counterscreen for FAK inhibitors
Absorbance,,1730,,10,Identification of Compounds That Interfere with High-Throughput Screening Assay Technologies,"(David, 2019, 10.1002/cmdc.201900395)",,Counterscreen Assay for Inhibitors of the ERK Signaling Pathway using a Homogeneous Screening Assay,Counterscreen Assay for Inhibitors of the ERK Signaling Pathway using a Homogeneous Screening Assay
Absorbance,,1857,,290,,,,FRET-based counterscreen assay for selective VIM-2 inhibitors: biochemical high throughput screening assay to identify epi-absorbance assay artifacts,FRET-based counterscreen assay to identify epi-absorbance assay artifacts
Absorbance,,1926,,118,,,,FRET-based counterscreen for selective VIM-2 inhibitors: dose response biochemical high throughput screening assay to identify epi-absorbance assay artifacts.,FRET-based counterscreen assay to identify epi-absorbance assay artifacts
Absorbance,,435026,,507,Identification of Compounds That Interfere with High-Throughput Screening Assay Technologies,"(David, 2019, 10.1002/cmdc.201900395)",,Fluorescence Cell-Free Homogeneous Counterscreen to Identify Inhibitors of the RanGTP-Importin-beta complex,fluorescence resonance energy transfer (FRET)-based biochemical assay used as counterscreen
Absorbance,,504689,,59,Identification of Compounds That Interfere with High-Throughput Screening Assay Technologies,"(David, 2019, 10.1002/cmdc.201900395)",,Dose Response confirmation of UBC13 Polyubiquitin Inhibitors using a Bfl-1 counterscreen,uHTS identification of UBC13 Polyubiquitin Inhibitors via a TR-FRET Assay
Absorbance,,720541,,416,Identification of Compounds That Interfere with High-Throughput Screening Assay Technologies,"(David, 2019, 10.1002/cmdc.201900395)",,qHTS for Inhibitors of the Phosphatase Activity of Eya2: Carboxyl-terminal binding protein (CtBP) Counterscreen for Cherry-picked Compounds,Carboxyl-terminal binding protein (CtBP) Counterscreen for Cherry-picked Compounds
Absorbance,,1159604,,51,Identification of Compounds That Interfere with High-Throughput Screening Assay Technologies,"(David, 2019, 10.1002/cmdc.201900395)",,Counterscreen for inhibitors of ASK1: AlphaScreen-based biochemical high throughput dose response assay to identify inhibitors that optically interfere with alphascreen assays using TruHits beads,Counterscreen for inhibitors of ASK1: AlphaScreen-based biochemical high throughput dose response assay to identify inhibitors that optically interfere with alphascreen assays using TruHits beads
Artifact,transporter,485270,492964,701,Machine Learning Assisted Hit Prioritization for High Throughput Screening in Drug Discovery,"(Boldini, 2024, 10.1021/acscentsci.3c01517)",https://github.com/dahvida/AIC_Finder,,One of Boldini2024 dataset which contains 13 different subdatasets.
Artifact,transcription,1040,1254,501,Machine Learning Assisted Hit Prioritization for High Throughput Screening in Drug Discovery,"(Boldini, 2024, 10.1021/acscentsci.3c01517)",https://github.com/dahvida/AIC_Finder,,One of Boldini2024 dataset which contains 13 different subdatasets.
Artifact,transcription_2,628,677,1396,Machine Learning Assisted Hit Prioritization for High Throughput Screening in Drug Discovery,"(Boldini, 2024, 10.1021/acscentsci.3c01517)",https://github.com/dahvida/AIC_Finder,,One of Boldini2024 dataset which contains 13 different subdatasets.
Artifact,GPCR_2,1672,2032,942,Machine Learning Assisted Hit Prioritization for High Throughput Screening in Drug Discovery,"(Boldini, 2024, 10.1021/acscentsci.3c01517)",https://github.com/dahvida/AIC_Finder,,One of Boldini2024 dataset which contains 13 different subdatasets.
Artifact,GPCR_3,449739,489005,940,Machine Learning Assisted Hit Prioritization for High Throughput Screening in Drug Discovery,"(Boldini, 2024, 10.1021/acscentsci.3c01517)",https://github.com/dahvida/AIC_Finder,,One of Boldini2024 dataset which contains 13 different subdatasets.
Artifact,ion_channel,2239,2287,175,Machine Learning Assisted Hit Prioritization for High Throughput Screening in Drug Discovery,"(Boldini, 2024, 10.1021/acscentsci.3c01517)",https://github.com/dahvida/AIC_Finder,,One of Boldini2024 dataset which contains 13 different subdatasets.
Artifact,ion_channel_2,2661,2821,191,Machine Learning Assisted Hit Prioritization for High Throughput Screening in Drug Discovery,"(Boldini, 2024, 10.1021/acscentsci.3c01517)",https://github.com/dahvida/AIC_Finder,,One of Boldini2024 dataset which contains 13 different subdatasets.
Artifact,ion_channel_3,488975,493221,383,Machine Learning Assisted Hit Prioritization for High Throughput Screening in Drug Discovery,"(Boldini, 2024, 10.1021/acscentsci.3c01517)",https://github.com/dahvida/AIC_Finder,,One of Boldini2024 dataset which contains 13 different subdatasets.
Artifact,kinase,504558,588343,48,Machine Learning Assisted Hit Prioritization for High Throughput Screening in Drug Discovery,"(Boldini, 2024, 10.1021/acscentsci.3c01517)",https://github.com/dahvida/AIC_Finder,,One of Boldini2024 dataset which contains 13 different subdatasets.
Artifact,GPCR,2098,2382,923,Machine Learning Assisted Hit Prioritization for High Throughput Screening in Drug Discovery,"(Boldini, 2024, 10.1021/acscentsci.3c01517)",https://github.com/dahvida/AIC_Finder,,One of Boldini2024 dataset which contains 13 different subdatasets.
Artifact,serine,624304,624474,1150,Machine Learning Assisted Hit Prioritization for High Throughput Screening in Drug Discovery,"(Boldini, 2024, 10.1021/acscentsci.3c01517)",https://github.com/dahvida/AIC_Finder,,One of Boldini2024 dataset which contains 13 different subdatasets.
Artifact,transcription_3,485273,493155,1119,Machine Learning Assisted Hit Prioritization for High Throughput Screening in Drug Discovery,"(Boldini, 2024, 10.1021/acscentsci.3c01517)",https://github.com/dahvida/AIC_Finder,,One of Boldini2024 dataset which contains 13 different subdatasets.
Artifact,ubiquitin,873,1431,853,Machine Learning Assisted Hit Prioritization for High Throughput Screening in Drug Discovery,"(Boldini, 2024, 10.1021/acscentsci.3c01517)",https://github.com/dahvida/AIC_Finder,,One of Boldini2024 dataset which contains 13 different subdatasets.
Artifact,splicing,2221,435010,243,Machine Learning Assisted Hit Prioritization for High Throughput Screening in Drug Discovery,"(Boldini, 2024, 10.1021/acscentsci.3c01517)",https://github.com/dahvida/AIC_Finder,,One of Boldini2024 dataset which contains 13 different subdatasets.
Artifact,channel_atp,720511,743267,548,Machine Learning Assisted Hit Prioritization for High Throughput Screening in Drug Discovery,"(Boldini, 2024, 10.1021/acscentsci.3c01517)",https://github.com/dahvida/AIC_Finder,,One of Boldini2024 dataset which contains 13 different subdatasets.
Artifact,cysteine_protease,686996,720632,393,Machine Learning Assisted Hit Prioritization for High Throughput Screening in Drug Discovery,"(Boldini, 2024, 10.1021/acscentsci.3c01517)",https://github.com/dahvida/AIC_Finder,,One of Boldini2024 dataset which contains 13 different subdatasets.
Artifact,zinc_finger,1832,1960,446,Machine Learning Assisted Hit Prioritization for High Throughput Screening in Drug Discovery,"(Boldini, 2024, 10.1021/acscentsci.3c01517)",https://github.com/dahvida/AIC_Finder,,One of Boldini2024 dataset which contains 13 different subdatasets.
Autofluoresence,,587,,34,Fluorescence spectroscopic profiling of compound libraries,"(Simeonov, 2008, 10.1021/jm701301m)",,qHTS Assay for Spectroscopic Profiling in Texas Red Spectral Region,
Autofluoresence,,588,,25,Fluorescence spectroscopic profiling of compound libraries,"(Simeonov, 2008, 10.1021/jm701301m)",,qHTS Assay for Spectroscopic Profiling in Resorufin Spectral Region,
Autofluoresence,,589,,6214,Fluorescence spectroscopic profiling of compound libraries,"(Simeonov, 2008, 10.1021/jm701301m)",,qHTS Assay for Spectroscopic Profiling in 4-MU Spectral Region,
Autofluoresence,,590,,6427,Fluorescence spectroscopic profiling of compound libraries,"(Simeonov, 2008, 10.1021/jm701301m)",,qHTS Assay for Spectroscopic Profiling in A350 Spectral Region,
Autofluoresence,,591,,59,Fluorescence spectroscopic profiling of compound libraries,"(Simeonov, 2008, 10.1021/jm701301m)",,qHTS Assay for Spectroscopic Profiling in A488 Spectral Region,A488 Spectral Region; 480 nm and 540 nm excitation and emission
Autofluoresence,,592,,0,Fluorescence spectroscopic profiling of compound libraries,"(Simeonov, 2008, 10.1021/jm701301m)",,qHTS Assay for Spectroscopic Profiling in A647 Spectral Region,
Autofluoresence,,593,,532,Fluorescence spectroscopic profiling of compound libraries,"(Simeonov, 2008, 10.1021/jm701301m)",,qHTS Assay for Spectroscopic Profiling in Fluorescein Spectral Region,480 nm and 540 nm excitation and emission
Autofluoresence,,594,,32,Fluorescence spectroscopic profiling of compound libraries,"(Simeonov, 2008, 10.1021/jm701301m)",,qHTS Assay for Spectroscopic Profiling in Rhodamine Spectral Region,
Autofluoresence,,709,,3590,,,,Profiling the NIH Molecular Libraries Small Molecule Repository: Autofluorescence at 339/460 nm,"Autofluorescence at 339/460 nm; For fluorescent compounds, Dye equivalent concentration at given concentration > 10μm/ Fold Increase at 10μm; Blue non-fluorescent compounds need to be validated more than three times, while green non-fluorescent compounds should be validated more than five times."
Autofluoresence,,923,,779,A small molecule inhibitor of Caspase 1,"(Boxer, 2010, https://www.ncbi.nlm.nih.gov/books/NBK56241/)",,qHTS Assay for Allosteric/Competitive Inhibitors of Caspase-1: Spectroscopic Profiling in AFC Spectral Region,405 nm excitation/520 nm emission
Autofluoresence,,1480,,89,Title: Selective Efflux Inhibition of ATP-binding Cassette Sub-family G Member 2,"(Strouse, 2010, https://pubmed.ncbi.nlm.nih.gov/23658968/)",,Profiling compound fluorescence in IgMXP3 at 488/530 nm; counter screen to single point confirmation of ABCG2 screen,in IgMXP3 cells (ABCG2) 488/530 nm
Autofluoresence,,1483,,83,Title: Selective Efflux Inhibition of ATP-binding Cassette Sub-family G Member 2,"(Strouse, 2010, https://pubmed.ncbi.nlm.nih.gov/23658968/)",,Profiling compound fluorescence in CCRF-Adr at 488/530 nm; counter screen to single point confirmation of ABCB1 screen,in CCRF-Adr (ABCB1 expressing cells) at 488/530 nm
Autofluoresence,,1696,,342,"Identification of triazinoindol-benzimidazolones as nanomolar inhibitors of the Mycobacterium tuberculosis enzyme TDP-6-deoxy- D-xylo-4-hexopyranosid-4-ulose 3,5-epimerase (RmlC)","(Sivendran, 2010, 10.1016/j.bmc.2009.11.033)",,Rml C and D fluorescent artifact dose-response confirmation,340/460 nm
Autofluoresence,,1775,,825,,,,Profiling compound fluorescence on Avidin Beads with 488 nm excitation and 530 nm emission,on Avidin Beads with 488 nm excitation and 530 nm emission
Autofluoresence,,1776,,489,,,,Profiling compound fluorescence on GSH Beads with 488 nm excitation and 530 nm emission,on GSH Beads with 488 nm excitation and 530 nm emission
Autofluoresence,,2124,,198,,,,Counterscreen for Fluorescence in GFP-Spectra Wavelengths Caused By Cell-Permeable Autofluorescent Compounds,488nm excitation / 535 nm emission
Autofluoresence,,2757,,9,,,,Test compound autofluorescence in Saccharomyes cerevisiae specifically s288c,520 nm emission in Saccharomyes cerevisiae s288c
Autofluoresence,,588517,,63,,,,Compound fluorescence counter screen for HTS for inhibitors of efflux pump with Cherry Pick1 compound set,488 nm excitation
Autofluoresence,,588620,,13,,,,Dose response compound fluorescence counter screen for HTS for inhibitors of efflux pump with Hit compounds from Cherry Pick1,488 nm excitation
Autofluoresence,,624483,,10930,,,,Counterscreen of compound fluorescence effects on High-throughput multiplex microsphere screening for inhibitors of toxin protease,Spherotech Blue Array Particle kit
Autofluoresence,,720675,,21,,,,qHTS assay to test for compound auto fluorescence at 535 nm (green) in HepG2 cells,535 nm (green) in HepG2 cells
Autofluoresence,,720678,,35,,,,qHTS assay to test for compound auto fluorescence at 460 nm (blue) in HEK293 cells,460 nm (blue) in HEK293 cells
Autofluoresence,,720680,,13,,,,qHTS assay to test for compound auto fluorescence at 535 nm (green) in HEK293 cells,535 nm (green) in HEK293 cells
Autofluoresence,,720681,,37,,,,qHTS assay to test for compound auto fluorescence at 460 nm (blue) in HEK293 cell free culture,460 nm (blue) in HEK293 cell
Autofluoresence,,720682,,13,,,,qHTS assay to test for compound auto fluorescence at 535 nm (green) in HEK293 cell free culture,535 nm (green) in HEK293 cell
Autofluoresence,,720686,,20,,,,qHTS assay to test for compound auto fluorescence at 535 nm (green) in HepG2 cell free culture,535 nm (green) in HepG2 cell
Autofluoresence,,720687,,32,,,,qHTS assay to test for compound auto fluorescence at 460 nm (blue) in HepG2 cells,460 nm (blue) in HepG2 cells
Autofluoresence,hepg2_cell_blue_n,,,216,High-Throughput Screening to Predict Chemical-Assay Interference,"(Borrel, 2020, 10.1038/s41598-020-60747-3)",https://www.nature.com/articles/s41598-020-60747-3#Sec29,,One of tox21-spec-hepg2-p dataset which contains 6 different subdatasets.
Autofluoresence,hepg2_cell_green_n,,,80,High-Throughput Screening to Predict Chemical-Assay Interference,"(Borrel, 2020, 10.1038/s41598-020-60747-3)",https://www.nature.com/articles/s41598-020-60747-3#Sec29,,One of tox21-spec-hepg2-p dataset which contains 6 different subdatasets.
Autofluoresence,hepg2_cell_red_n,,,39,High-Throughput Screening to Predict Chemical-Assay Interference,"(Borrel, 2020, 10.1038/s41598-020-60747-3)",https://www.nature.com/articles/s41598-020-60747-3#Sec29,,One of tox21-spec-hepg2-p dataset which contains 6 different subdatasets.
Autofluoresence,hepg2_med_blue_n,,,209,High-Throughput Screening to Predict Chemical-Assay Interference,"(Borrel, 2020, 10.1038/s41598-020-60747-3)",https://www.nature.com/articles/s41598-020-60747-3#Sec29,,One of tox21-spec-hepg2-p dataset which contains 6 different subdatasets.
Autofluoresence,hepg2_med_green_n,,,80,High-Throughput Screening to Predict Chemical-Assay Interference,"(Borrel, 2020, 10.1038/s41598-020-60747-3)",https://www.nature.com/articles/s41598-020-60747-3#Sec29,,One of tox21-spec-hepg2-p dataset which contains 6 different subdatasets.
Autofluoresence,hepg2_med_red_n,,,37,High-Throughput Screening to Predict Chemical-Assay Interference,"(Borrel, 2020, 10.1038/s41598-020-60747-3)",https://www.nature.com/articles/s41598-020-60747-3#Sec29,,One of tox21-spec-hepg2-p dataset which contains 6 different subdatasets.
Autofluoresence,hek293_cell_blue_n,,,210,High-Throughput Screening to Predict Chemical-Assay Interference,"(Borrel, 2020, 10.1038/s41598-020-60747-3)",https://www.nature.com/articles/s41598-020-60747-3#Sec29,,One of tox21-spec-hek293-p1 dataset which contains 6 different subdatasets.
Autofluoresence,hek293_cell_green_n,,,56,High-Throughput Screening to Predict Chemical-Assay Interference,"(Borrel, 2020, 10.1038/s41598-020-60747-3)",https://www.nature.com/articles/s41598-020-60747-3#Sec29,,One of tox21-spec-hek293-p1 dataset which contains 6 different subdatasets.
Autofluoresence,hek293_cell_red_n,,,33,High-Throughput Screening to Predict Chemical-Assay Interference,"(Borrel, 2020, 10.1038/s41598-020-60747-3)",https://www.nature.com/articles/s41598-020-60747-3#Sec29,,One of tox21-spec-hek293-p1 dataset which contains 6 different subdatasets.
Autofluoresence,hek293_med_blue_n,,,224,High-Throughput Screening to Predict Chemical-Assay Interference,"(Borrel, 2020, 10.1038/s41598-020-60747-3)",https://www.nature.com/articles/s41598-020-60747-3#Sec29,,One of tox21-spec-hek293-p1 dataset which contains 6 different subdatasets.
Autofluoresence,hek293_med_green_n,,,44,High-Throughput Screening to Predict Chemical-Assay Interference,"(Borrel, 2020, 10.1038/s41598-020-60747-3)",https://www.nature.com/articles/s41598-020-60747-3#Sec29,,One of tox21-spec-hek293-p1 dataset which contains 6 different subdatasets.
Autofluoresence,hek293_med_red_n,,,34,High-Throughput Screening to Predict Chemical-Assay Interference,"(Borrel, 2020, 10.1038/s41598-020-60747-3)",https://www.nature.com/articles/s41598-020-60747-3#Sec29,,One of tox21-spec-hek293-p1 dataset which contains 6 different subdatasets.
ColloidalAggregators,,585,,1256,"SCAM Detective: Accurate Predictor of Small, Colloidally Aggregating Molecules","(Alves, 2020, 10.1021/acs.jcim.0c00415)",https://scamdetective.mml.unc.edu/,Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent),
ColloidalAggregators,,1476,,4500,"Quantitative analyses of aggregation, autofluorescence, and reactivity artifacts in a screen for inhibitors of a thiol protease","(Jadhav, 2010, 10.1021/jm901070c)",,qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (without detergent),Inhibitors of Cruzain (without detergent)
ColloidalAggregators,,485341,,1730,"SCAM Detective: Accurate Predictor of Small, Colloidally Aggregating Molecules","(Alves, 2020, 10.1021/acs.jcim.0c00415)",https://scamdetective.mml.unc.edu/,qHTS Inhibitors of AmpC Beta-Lactamase (assay without detergent),qHTS Inhibitors of AmpC Beta-Lactamase (assay without detergent)
ColloidalAggregators,AggregatorAdvisor,,,12644,An Aggregation Advisor for Ligand Discovery,"(Irwin, 2015, 10.1021/acs.jmedchem.5b01105)",https://advisor.bkslab.org/,,20 diverse sources
HeavyHitters,Matlock2018,,,13068,Modeling Small-Molecule Reactivity Identifies Promiscuous Bioactive Compounds,"(Matlock, 2018, 10.1021/acs.jcim.8b00104)",https://pubs.acs.org/doi/suppl/10.1021/acs.jcim.8b00104/suppl_file/ci8b00104_si_001.zip,,"PubChem2016, non-ChEMBL tested in at least 100 assays"
HeavyHitters,Goodwin2020,,,1000,Statistical models for identifying frequent hitters in high throughput screening,"(Goodwin, 2020, 10.1038/s41598-020-74139-0)",https://www.nature.com/articles/s41598-020-74139-0#Sec20,,
HeavyHitters,Aggregators,,,16820,,"(Shi, 2024, 10.1093/nar/gkae424)",,,One of Shi2024 dataset which contains seven different subdatasets.
HeavyHitters,Green_fluorescence,,,8441,,"(Shi, 2024, 10.1093/nar/gkae424)",,,One of Shi2024 dataset which contains seven different subdatasets.
HeavyHitters,Fluc_inhibitors,,,12092,,"(Shi, 2024, 10.1093/nar/gkae424)",,,One of Shi2024 dataset which contains seven different subdatasets.
HeavyHitters,Blue_fluorescence,,,4871,,"(Shi, 2024, 10.1093/nar/gkae424)",,,One of Shi2024 dataset which contains seven different subdatasets.
HeavyHitters,Reactive_compounds,,,6056,,"(Shi, 2024, 10.1093/nar/gkae424)",,,One of Shi2024 dataset which contains seven different subdatasets.
HeavyHitters,Promiscuous_compounds,,,8089,,"(Shi, 2024, 10.1093/nar/gkae424)",,,One of Shi2024 dataset which contains seven different subdatasets.
HeavyHitters,Other_assay_interference,,,1544,,"(Shi, 2024, 10.1093/nar/gkae424)",,,One of Shi2024 dataset which contains seven different subdatasets.
LuciferaseInhibition,,411,,1571,Characterization of chemical libraries for luciferase inhibitory activity,"(Auld, 2008, 10.1021/jm701302v)",,qHTS Assay for Inhibitors of Firefly Luciferase,ATP concentration in the assay (10 uM)
LuciferaseInhibition,,1006,,2976,Characterization of chemical libraries for luciferase inhibitory activity,"(Auld, 2008, 10.1021/jm701302v)",,Counter Screen for Luciferase-based Primary Inhibition Assays,with >50% inhibition at 10 uM concentration
LuciferaseInhibition,,1379,,565,A basis for reduced chemical library inhibition of firefly luciferase obtained from directed evolution,"(Auld, 2009, 10.1021/jm8014525)",,Counterscreen for Luciferase (Kinase-Glo TM) Inhibition,
LuciferaseInhibition,,1891,,446,,,,Luminescence Biochemical Dose Response HTS to Identify Inhibitors of Luciferase,EC50 <= 1 log over the highest tested concentration
LuciferaseInhibition,,2515,,10,,,,Counterscreen Assay for Enhancers of SMN2 Splice Variant Expression: Interaction with Luciferase Reporter for Probe SAR,NIH Chemical Genomics Center (NCGC) Assay
LuciferaseInhibition,,2530,,46,,,,Secondary Assay for Luciferase (Kinase-Glo TM) Inhibition Counterscreen,
LuciferaseInhibition,,366887,,8,,,,Inhibition of luciferin binding site of Photinus pyralis luciferase by noncompetitive inhibition assay,activity <= 10uM
LuciferaseInhibition,,366889,,1,,,,Inhibition of Photinus pyralis luciferase assessed as maximum inhibitory potency by quantitative high throughput screening,activity <= 10uM
LuciferaseInhibition,,366891,,19,,,,Inhibition of luciferin binding site of Photinus pyralis luciferase by competitive inhibition assay,activity <= 10uM
LuciferaseInhibition,,488838,,41,,,,Counterscreen Assay for Enhancers of SMN2 Splice Variant Expression: Interaction with Luciferase Reporter for Further Probe SAR,
LuciferaseInhibition,,493175,,0,,,,miR-21 counterscreen using purified firefly luciferase,
LuciferaseInhibition,,588342,,25069,"Firefly luciferase in chemical biology: a compendium ofinhibitors, mechanistic evaluation of chemotypes, and suggested use as areporter.","(Thorne, 2012, 10.1016/j.chembiol.2012.07.015)",,qHTS profiling assay for firefly luciferase inhibitor/activator using purifed enzyme and Km concentrations of substrates (counterscreen for miR-21 project),
LuciferaseInhibition,,588498,,18,,,,qHTS profiling assay for firefly luciferase inhibitor/activator using purifed enzyme and Km concentrations of substrates (counterscreen for the Campaign to Identify EBNA-1 Inhibitors project).,
LuciferaseInhibition,,602357,,104,,,,FLuc inhibitory activity for the follow-up compounds in a biochemical assay with Km concentrations of substrate,
LuciferaseInhibition,,602358,,102,,,,FLuc inhibitory activity for the follow-up compounds in a biochemical assay with Km concentrations of substrate and 500microM CoASH,
LuciferaseInhibition,,602364,,89,,,,FLuc inhibitory activity for the follow-up compounds in a biochemical assay with 1mM ATP,
LuciferaseInhibition,,602474,,53,,,,FLuc inhibitory activity for the follow-up compounds in a biochemical assay with a commercial detection reagent - BriteliteTM Plus (PerkinElmer),
LuciferaseInhibition,,602475,,36,,,,FLuc inhibitory activity for the follow-up compounds in a biochemical assay with an in-house formulation of detection reagent,
LuciferaseInhibition,,602476,,31,,,,FLuc inhibitory activity for the follow-up compounds in a cell-based translational read-through assay,
LuciferaseInhibition,,602477,,87,,,,FLuc inhibitory activity for the follow-up compounds in a cell-based assay to assess the activity of miR-21,
LuciferaseInhibition,,624030,,104,,,,Biochemical firefly luciferase enzyme assay for NPC,
LuciferaseInhibition,,652016,,35,,,,qHTS Assay for Inhibitors of Firefly Luciferase from the GSK Published Protein Kinase Inhibitor Set,
LuciferaseInhibition,,720522,,58,,,,Nrf2 qHTS screen for inhibitors: Purified Fluc Biochemical Counterscreen for Hit Validation,
LuciferaseInhibition,,720835,,31,,,,GSK_PKIS: Inhibition of Firefly Luciferase (Data from PubChem: AID 652016) [NIH NCATS],activity <= 10uM
LuciferaseInhibition,,1224835,,712,,,,qHTS assay to identify small molecule inhibitors of firefly luciferase,
LuciferaseInhibition,,1347047,,10,,,,Natriuretic polypeptide receptor (hNpr1) antagonism - Confirmation firefly luciferase (FLuc) inhibition counterscreen,
LuciferaseInhibition,Firefly_Luciferase,,,94,Lies and Liabilities: Computational Assessment of High-Throughput Screening Hits to Identify Artifact Compounds,"(Alves, 2023, 10.1021/acs.jmedchem.3c00482)",https://liability.mml.unc.edu/,,
LuciferaseInhibition,Nano_Luciferase,,,84,Lies and Liabilities: Computational Assessment of High-Throughput Screening Hits to Identify Artifact Compounds,"(Alves, 2023, 10.1021/acs.jmedchem.3c00482)",https://liability.mml.unc.edu/,,
LuciferaseInhibition,Luc_IC50,,,551,High-Throughput Screening to Predict Chemical-Assay Interference,"(Borrel, 2020, 10.1038/s41598-020-60747-3)",https://www.nature.com/articles/s41598-020-60747-3#Sec29,,
Misannotation,Bisson2016,,,39,Can Invalid Bioactives Undermine Natural Product-Based Drug Discovery?,"(Bisson, 2016, 10.1021/acs.jmedchem.5b01009)",,,"metabolites entered into NAPRALERT in the top 20 for occurances, activities, and distinct activities"
Reactivity,,672,,4,Development and Implementation of a 384-WellHomogeneous Fluorescence Intensity High-ThroughputScreening Assay to Identify Mitogen-Activated Protein KinasePhosphatase-1 Dual-Specificity Protein Phosphatase Inhibitors,"(Johnston, 2007, 10.1089/adt.2007.066)",,Redox Cycling Hydrogen Peroxide Generation Assay; MKP-1 and MKP-3 Probe Assessment.,Redox Cycling Hydrogen Peroxide Generation Assay
Reactivity,,682,,13,Cdc25B Dual-Specificity Phosphatase Inhibitors Identified in a High-Throughput Screen of the NIH Compound Library,"(Johnston, 2010, 10.1089/adt.2008.186)",,Cdc25B Catalytic Domain Protein Tyrosine Phosphatase Probe Assessment: Compound Dose Dependent Redox Cycling H2O2 Generation in 0.5 mM DTT,Redox Cycling H2O2 Generation Assay
Reactivity,,936,,2,,,,"Concentration Response Redox Cycling H2O2 Generation assay, 1 mM DTT, to characterize small molecule inhibitors identified in the Polo box domain (PBD) of Plk1 Primary HTS",Redox Cycling H2O2 Generation assay
Reactivity,Thiol_training_set,,,905,Lies and Liabilities: Computational Assessment of High-Throughput Screening Hits to Identify Artifact Compounds,"(Alves, 2023, 10.1021/acs.jmedchem.3c00482)",https://liability.mml.unc.edu/,,
Reactivity,Tox21_MSTI,,,2183,Evaluating the utility of a high throughput thiol-containing fluorescent probe to screen for reactivity: A case study with the Tox21 library,"(Patlewicz, 2023, 10.1016/j.comtox.2023.100271)",https://clowder.edap-cluster.com/files/64357989e4b08a6b393f7bd1?dataset=61147fefe4b0856fdc65639b&space=&folder=6435797ae4b08a6b393f7bcd,,
REDOX,,878,,64,Profiling the NIH Small Molecule Repository for compounds that generate H2O2 by redox cycling in reducing environments,"(Soares, 2010, 10.1089/adt.2009.0247)",,NIH Compound Library Profiling: Compound and DTT Dependent Redox Cycling H2O2 Generation,colorimetric assay to detect measure H2O2 generated by the redox cycling of compounds incubated with reducing agents applied to the LOPAC Library
REDOX,,888,,3,A small molecule inhibitor of Caspase 1,"(Boxer, 2010, https://www.ncbi.nlm.nih.gov/books/NBK56241/)",,Concentration-Response Counterscreen for Redox Active Inhibitors of Caspase-1: Catalase,
REDOX,,929,,2,A small molecule inhibitor of Caspase 1,"(Boxer, 2010, https://www.ncbi.nlm.nih.gov/books/NBK56241/)",,Concentration-Response Counterscreen for Redox Active Inhibitors of Caspase-1: Cysteine,
REDOX,,1234,,24,Profiling the NIH Small Molecule Repository for compounds that generate H2O2 by redox cycling in reducing environments,"(Soares, 2010, 10.1089/adt.2009.0247)",,NIH Compound Library Profiling: Compound and DTT Dependent Redox Cycling H2O2 Generation 10-point Concentration Response Confirmation Assay,colorimetric assay to detect measure H2O2 generated by the redox cycling of compounds incubated with reducing agents applied to the NIH SMR library
REDOX,Redox_training_set,,,124,Lies and Liabilities: Computational Assessment of High-Throughput Screening Hits to Identify Artifact Compounds,"(Alves, 2023, 10.1021/acs.jmedchem.3c00482)",https://liability.mml.unc.edu/,,