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389-08-2 靶点实验数据

HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16
来源：NCGC 靶标：
External ID: SNCA-p-activity-luciferase
Protocol: PROTOCOL TABLE
SEQUENCE No. (e.g., 1, 2, 3, etc.); PARAMETER (e.g., Cells, Incubation, Reagent, etc.); VALUE; DESCRIPTION

1; Cells; 4 uL; Dispense 1500 HEK-293-SNCA-luc cells/well into Greiner 1536-well white / solid bottom tissue culture treated plate. The plate was covered with metal lids with gas-exchange holes.
2; Incubate; 24 hours; Incubate at 37C, 5% CO2, 95% RH.
3; Compounds; 23 nL; Compounds and controls were transferred via a Kalypsys Pin Tool (Wako USA) equipped with a 1536-slotted pin array. The plate was covered with metal lids with gas-exchange holes.
4; Incubate; 24 hours; Incubate at 37C, 5% CO2, 95% RH.
5; Dispense; 1 uL; Dispense Gly-Phe-7-amino-4-trifluoromethylcoumarin (GF-AFC, prepared at 125 uM in PBS) was added. The plate was covered with metal lids with gas-exchange holes.
6; Incubate; 30 min; Incubate at 37C, 5% CO2.
7; Detector; Fluorescence; Measure fluorescence with ViewLux microplate reader (PerkinElmer) equipped with 405/10 excitation and 540/25 emission filters.
8; Dispense; 3 uL; Dispense ONE-Glo (PerkinElmer) lucifase detection reagent was added to each well. Plates were covered with metal lids with gas-exchange holes.
9; Incubate; 15 min; Incubate at room temperature.
10; Detector; Luminescence; Measure luminescence with ViewLux microplate reader (PerkinElmer) equipped with clear filters.

NOTES (numbers refer to sequence above)
1; HEK-293-SNCA-luc were cultured and suspended in phenol-red free DMEM (4.5 g/L glucose, 25 mM HEPES, cat #21063 (Thermo)).
3; Compounds were added to the assay plate in an 11-point intra plate dose response, 1:3 titration in DMSO with a final concentration range of xxx - yyy uM. Vehicle-only plates, with DMSO being pin-transferred to every well, were inserted at the beginning of screening runs to confirm expected assay performance. Activity was normalized to wells containing medium only (-100% activity, full inhibition) and SNCA-luc cells treated with DMSO vehicle control (0% activity), contained on the same plate as test samples.
10; Signals were analyzed, and dose-response curves were fit using the Hill equation. Compounds in curve classes -1.1, -1.2, -2.1, -2.2 in the SNCA-luc assay were considered active. Compounds were eliminated from further consideration if also active (curve class -1.1, -1.2, -1.3, -1.4, -2.1, -2.2, -2.3, -2.4) in the GF-AFC cytotoxicity assay.
Comment: Disclaimer:
Although all reasonable efforts have been made to ensure the accuracy and reliability of the data, caution should be exercised when interpreting the results as artifacts are possible from nonspecific effects such as assay signal interference. The curve fitting and activity calls presented here are based on the NCATS analysis methods.

Compound Ranking:
1. Compounds are first classified as having full titration curves, partial modulation, partial curve (weaker actives), single point activity (at highest concentration only), or inactive. For this assay, apparent inhibitors are ranked higher than compounds that showed apparent activation.
2. For all inactive compounds, with a ratio activity curve class of 4, PUBCHEM_ACTIVITY_SCORE is 0. For all active compounds, a score range was given for each curve class type given above. Active compounds have PUBCHEM_ACTIVITY_SCORE between 40 and 100. For a ratio activity curve class = -1.1, score = 80+abs((log_ac50+4.5)*inf_activity/20). For ratio.curve_class == -1.2 && abs(ratio.max_response) > 6*10, score = 60+abs((log_ac50+4.5)*inf_activity/20). For ratio.curve_class == -2.1 || ( ratio.curve_class==-2.2 && abs(ratio.max_response) > 6*10), score = 40+abs((log_ac50+4.5)*inf_activity/20). For ratio.curve_class == -1.2 || ratio.curve_class == -2.2, score = 20+abs((log_ac50+4.5)*inf_activity/20). Inconclusive compounds, with a donor curve class other than 4, have PUBCHEM_ACTIVITY_SCORE of 10. Inconclusive compounds have PUBCHEM_ACTIVITY_SCORE between 1 and 39.
PhenotypePotencyEfficacyAnalysis CommentActivity_ScoreCurve_DescriptionFit_LogAC50Fit_HillSlopeFit_R2Fit_InfiniteActivityFit_ZeroActivityFit_CurveClassExcluded_PointsMax_ResponseActivity at 0.0000386857 uMActivity at 0.0001060182 uMActivity at 0.0001896372 uMActivity at 0.0004510146 uMActivity at 0.0007501981 uMActivity at 0.0009728036 uMActivity at 0.00288 uMActivity at 0.00508 uMActivity at 0.00871 uMActivity at 0.015 uMActivity at 0.026 uMActivity at 0.053 uMActivity at 0.079 uMActivity at 0.232 uMActivity at 0.457 uMActivity at 0.692 uMActivity at 1.068 uMActivity at 2.292 uMActivity at 3.859 uMActivity at 11.39 uMActivity at 17.02 uMActivity at 25.62 uMActivity at 57.25 uMActivity at 87.55 uMActivity at 183.4 uMActivity at 286.0 uMCompound QC
Inactive0-6.754.95490.97270.090117.540 0 0 18.940815.9527-1.59161.49698.9408QC'd by Sytravon
Inactive0-5.34.0950.99965.5-7.782340 0 0 1-11.1081-7.5736-7.73535.034-11.1081QC'd by Sytravon
Inactive0-5.154.95490.907-15.92079.540 0 0 117.87255.287413.9021-13.683917.8725QC'd by Sytravon
Activator35.481346.40950Single point of activity-4.452.5884145.9404-0.469131 0 0 035.59340.1678-0.39091.93335.593QC'd by Sytravon
Activator39.810772.26460Single point of activity-4.44.95490.951568.1912-4.073330 0 0 058.01175.8738-9.2278-8.522458.0117QC'd by Sytravon
Activator14.125445.33190Partial curve; partial efficacy; poor fit-4.852.40640.998240.7728-4.55912.41 0 0 040.0933-24.9557-3.884511.525440.0933QC'd by Sytravon
Inactive0-5.754.95490.9291-20.608633.154541 0 0 0-12.846445.456928.2161-28.42-12.8464QC'd by Sytravon
Inactive0-4.354.95490.855-24.2184-0.540 0 0 0-18.932-3.6477-2.4094.988-18.932QC'd by Sytravon
Inactive0-4.73.62720.862515-8.552340 0 0 014.477-2.951-13.7936-5.964614.477QC'd by Sytravon
Inactive0-6.74.95490.66373-16.86440 0 0 08.8169-15.726.3794-6.35998.8169QC'd by Sytravon
Inactive0-4.752.40640.999921.5-2.410141 0 0 020.218433.3778-2.42513.577120.2184QC'd by Sytravon
Inactive0-4.44.95490.81172.5-8.34540 0 0 01.096-8.966-5.5054-11.12091.096QC'd by Sytravon
Activator39.810738.79450Single point of activity-4.44.95490.624141.75572.961230 0 0 036.203921.355-6.3904-4.532536.2039QC'd by Sytravon
Inactive0-6.054.0950.9994-6.05182040 0 0 120.515619.73771.4122-6.293220.5156QC'd by Sytravon
Inactive0-5.24.095110.5-10.168341 0 0 1-15.988436.1362-10.14028.7939-15.9884QC'd by Sytravon
Inactive0-6.51.39050.9999-24.2410.274540 0 0 1-5.5981-4.3546-20.7587-23.9509-5.5981QC'd by Sytravon
Inactive0-6.84.95490.711-2.44592140 0 0 0-3.345317.3219-9.95495.5495-3.3453QC'd by Sytravon
Activator39.810747.8090Partial curve; partial efficacy; poor fit-4.44.95490.521250.23992.43092.40 0 0 043.472230.2363-10.9855-11.514343.4722QC'd by Sytravon
Activator22.387275.50810Partial curve; high efficacy; poor fit-4.651.96730.982996.532421.02432.30 0 0 086.498526.093216.336536.261386.4985QC'd by Sytravon
Inactive0-6.84.95490.7429-1-13.073840 0 0 01.8063-11.31150.8702-5.17571.8063QC'd by Sytravon
HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16
来源：824 靶标：
External ID: CYP273
Protocol: Tox21 Assay Protocol Summary:

Two ul of enzyme-substrate mix was dispensed into medium binding white/solid 1536-well plates (Greiner Bio-One North America Inc., Monroe, NC) using a BioRaptr Flying Reagent Dispenser (FRD, Beckman Coulter, Brea, CA). Compounds dissolved in DMSO and positive control (furafyllline) were transferred to the assay plates at 23 nl using a Pintool station (Wako, San Diego, CA). The assay plates were incubated at room temperature for 10 min. Then 2 ul of NADPH regeneration solution was added to each well of the assay plates using an FRD and incubated at room temperature for 1 h. The reaction was stopped by adding 4 ul of detection reagent using an FRD and after 20 min incubation at room temperature the luminescence signal was measured using a ViewLux plate reader (Perkin Elmer, Shelton, CT). Data were expressed as relative luminescence units.
Comment: Disclaimer:

Although all reasonable efforts have been made to ensure the accuracy and reliability of the data, caution should be exercised when interpreting the results as artifacts are possible from nonspecific effects such as assay signal interference. The curve fitting and activity calls presented here are based on the NCATS analysis methods. Alternative analysis methods and interpretations of the data are available at EPA (http://actor.epa.gov) and NTP (http://tools.niehs.nih.gov/cebs3/ui/).

Compound Ranking:

1. Compounds are first classified as having full titration curves, partial modulation, partial curve (weaker actives), single point activity (at highest concentration only), or inactive. See data field "Curve Description". For this assay, apparent inhibitors are ranked higher than compounds that showed apparent activation.
2. For all inactive compounds, PUBCHEM_ACTIVITY_SCORE is 0. For all active compounds, a score range was given for each curve class type given above. Active compounds have PUBCHEM_ACTIVITY_SCORE between 40 and 100. Inconclusive compounds have PUBCHEM_ACTIVITY_SCORE between 1 and 39. Fit_LogAC50 was used for determining relative score and was scaled to each curve class' score range.
Phenotype-Replicate_1Potency-Replicate_1Efficacy-Replicate_1Analysis Comment-Replicate_1Activity_Score-Replicate_1Curve_Description-Replicate_1Fit_LogAC50-Replicate_1Fit_HillSlope-Replicate_1Fit_R2-Replicate_1Fit_InfiniteActivity-Replicate_1Fit_ZeroActivity-Replicate_1Fit_CurveClass-Replicate_1Excluded_Points-Replicate_1Max_Response-Replicate_1Activity at 0.0000075213 uM-Replicate_1Activity at 0.0000171744 uM-Replicate_1Activity at 0.0000689059 uM-Replicate_1Activity at 0.0001619730 uM-Replicate_1Activity at 0.0003751800 uM-Replicate_1Activity at 0.0007781017 uM-Replicate_1Activity at 0.00212 uM-Replicate_1Activity at 0.00657 uM-Replicate_1Activity at 0.017 uM-Replicate_1Activity at 0.038 uM-Replicate_1Activity at 0.085 uM-Replicate_1Activity at 0.191 uM-Replicate_1Activity at 0.435 uM-Replicate_1Activity at 1.330 uM-Replicate_1Activity at 4.074 uM-Replicate_1Activity at 10.46 uM-Replicate_1Activity at 23.64 uM-Replicate_1Activity at 52.95 uM-Replicate_1Activity at 115.2 uM-Replicate_1Activity at 299.6 uM-Replicate_1Activity at 1087.9 uM-Replicate_1Activity at 2306.0 uM-Replicate_1Activity at 5157.0 uM-Replicate_1Activity at 11530.0 uM-Replicate_1Activity at 25780.0 uM-Replicate_1Activity at 57660.0 uM-Replicate_1Compound QC-Replicate_1Phenotype-Replicate_2Potency-Replicate_2Efficacy-Replicate_2Analysis Comment-Replicate_2Activity_Score-Replicate_2Curve_Description-Replicate_2Fit_LogAC50-Replicate_2Fit_HillSlope-Replicate_2Fit_R2-Replicate_2
Inactive0004-3.5643-2.3504-2.9312-2.3657-2.8224-2.60180.03942.8539-0.9099-0.8614-3.0049-2.5808-0.7-3.5643QC'd by SIGMAInactive0
Inactive0004-4.9449-1.1401-4.88281.72781.7167-2.1117-5.69640.39330.89390.1314-2.73353.195-4.9521-4.9449QC'd by SIGMAInactive0
Inactive00042.7107-2.18841.39851.45820.7693-2.47871.522.89860.9702-0.02532.12932.77661.5392.7107QC'd by EnamineInactive0
Inactive0004-2.1522-2.3143-3.894-2.36983.0635-2.9724-0.6981.807-0.3874-2.23870.0851-4.19653.0171-2.1522QC'd by SIGMAInactive0
Inactive0-4.34892.25260.8543-15.2749-1.540 0 0 0 0 0 0 0 0 0 0 0 0 0 0-14.3957-1.8486-1.8251-1.3415-0.2999-5.8043-1.46250.1520.0394-2.6869-2.4228-2.2664-9.6519-14.3957QC'd by SIGMAInactive0-4.09892.18760.881
Inactive0-4.39891.34430.8661-18.2112-140 0 0 0 0 0 0 0 0 0 0 0 0 0 0-16.0093-2.34660.81450.3878-0.5249-2.2045-0.0596-0.3675-2.1137-2.5302-0.6582-8.8446-8.7305-16.0093QC'd by AcrosInactive0-4.19891.62660.9372
Inactive0-4.37131.3310.7782-33.4439-3.50340 0 0 0 0 0 0 0 0 0 0 0 0 0 0-29.5366-4.0189-0.7745-2.4487-0.7353-13.4714-1.9963-2.0808-1.5803-2.9931-5.0804-13.0346-7.2628-16.8143-29.5366QC'd by LightBiologicalsInactive0-4.37131.22210.9463
Inactive0-4.14891.62660.9461-28.1716-140 0 0 0 0 0 0 0 0 0 0 0 0 0 0-20.143-1.7608-0.23880.22480.5264-2.4986-0.1313-2.2365-0.2423-3.4362-3.0971-3.2181-11.2156-20.143QC'd by EnamineInhibitor79.640731.491610Partial curve; partial efficacy; poor fit-4.09892.58840.988
Inhibitor79.640737.878410Partial curve; partial efficacy; poor fit-4.09892.33320.6037-41.3784-3.5-2.40 0 0 0 0 0 0 0 0 0 0 0 0 0 0-31.14860.0477-0.2424-0.1109-17.1482-2.60430.09871.3021-8.8121-0.6811-2.6079-6.0005-11.8578-31.1486QC'd by LightBiologicalsInhibitor70.979933.811310Partial curve; partial efficacy; poor fit-4.14891.47870.9532
Inactive0-4.14891.3310.6595-35.6335-140 0 0 0 0 0 0 0 0 0 0 0 0 0 0-26.36121.8269-1.26512.0528-1.3342-1.1508-1.3078-0.329-8.12350.9213-0.3901-8.3475-13.4823-26.3612QC'd by LightBiologicalsInhibitor63.260940.716221Partial curve; partial efficacy-4.19891.55790.9889
Inhibitor31.7055100.219240Partial curve; high efficacy-4.49891.41630.9793-102.2947-2.0755-2.10 0 0 0 0 0 0 0 0 0 0 0 0 0 0-88.79751.59931.9578-0.4182-5.9156-12.3257-6.81250.6301-0.9357-7.8675-21.9718-39.1747-68.2733-88.7975QC'd by SIGMAInhibitor28.2576108.402740Partial curve; high efficacy-4.54891.24750.9984
Inactive0-4.44891.53860.9285-23.7863140 0 0 0 0 0 0 0 0 0 0 0 0 0 0-21.48852.58192.144-0.92281.57780.3813-0.7273-0.01780.48032.4385-0.728-9.9293-11.8247-21.4885QC'd by SIGMAInactive0-4.39891.62590.9598
Inhibitor9.333739.896721Complete curve; partial efficacy-5.02992.04370.9899-39.89670-1.20 0 0 0 0 0 0 0 0 0 0 0 0 0 0-36.3129-0.2423-0.4463-0.29990.64780.36361.006-0.49871.2825-1.1546-7.8589-17.895-35.8398-36.3129QC'd by LightBiologicalsInhibitor11.750456.388421Partial curve; partial efficacy-4.92991.1110.9845
Inhibitor31.7055101.457340Partial curve; high efficacy-4.49891.1110.9982-102.7597-1.3024-2.10 0 0 0 0 0 0 0 0 0 0 0 0 0 0-82.349-1.7206-3.1014-1.0307-0.462-0.0614-0.5481-3.1286-4.6801-13.1432-23.5612-42.1146-67.192-82.349QC'd by SIGMAInhibitor25.184689.509140Partial curve; high efficacy-4.59891.37230.9943
Inactive0-4.39891.37230.9408-30.7143-1.540 0 0 0 0 0 0 0 0 0 0 0 0 0 0-27.2619-3.9038-4.25970.95220.2767-0.086-3.7725-0.0863-0.3476-4.4856-5.6587-11.4378-17.5999-27.2619QC'd by EnamineInactive0-4.39891.37230.9104
Inhibitor0.0291.537495Complete curve; high efficacy-7.69891.210.9985-95.5053-3.9679-1.10 0 0 0 0 0 0 0 0 0 0 0 0 0 0-96.9758-10.1145-26.2532-42.3865-67.4835-79.9456-90.8539-91.593-94.2489-95.4721-96.0956-96.1267-97.0582-96.9758QC'd by SIGMAInhibitor0.141694.840291Complete curve; high efficacy-6.84891.210.9987
Inhibitor70.979957.401421Partial curve; partial efficacy-4.14891.46410.9678-60.4859-3.0846-2.20 0 0 0 0 0 0 0 0 0 0 0 0 0 0-45.8227-1.5241-1.1304-2.119-3.4583-2.7138-4.9163-1.3699-5.0741-7.7268-8.2608-10.3758-24.1789-45.8227QC'd by TCIInhibitor63.260959.370621Partial curve; partial efficacy-4.19891.82650.9826
Inhibitor31.705588.458340Partial curve; high efficacy-4.49891.24750.9907-90.0614-1.6031-2.10 0 0 0 0 0 0 0 0 0 0 0 0 0 0-73.0646-2.1792-0.7242-0.9217-2.0267-1.1711-1.4022-1.5555-4.0648-12.1704-19.1709-32.2561-64.0802-73.0646QC'd by SIGMAInhibitor31.705586.838540Partial curve; high efficacy-4.49891.1110.9934
Inhibitor7.09899.944883Complete curve; high efficacy-5.14891.34430.9949-102.6257-2.681-1.10 0 0 0 0 0 0 0 0 0 0 0 0 0 0-98.8687-2.2636-1.9377-0.2674-0.3864-3.2139-8.5636-4.0834-14.5383-36.543-60.2337-91.3595-96.848-98.8687QC'd by TCIInhibitor5.638199.072784Complete curve; high efficacy-5.24891.62660.998
Inhibitor14.162399.52242Partial curve; high efficacy-4.84890.70.9894-100.6417-1.1197-2.10 0 0 0 0 0 0 0 0 0 0 0 0 0 0-88.2822-1.4919-2.9847-0.2649-1.6478-3.8502-2.8959-7.6423-18.6375-36.1235-44.1844-53.91-71.7844-88.2822QC'd by SIGMAInhibitor17.829395.774281Complete curve; high efficacy-4.74891.210.9995
HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16
来源：ChEMBL 靶标：NON-PROTEIN TARGET
External ID: CHEMBL1217784
Protocol: N/A
Comment: Journal: Antimicrob. Agents Chemother.
Year: 2010
Volume: 54
Issue: 1
First Page: 45
Last Page: 51
DOI: 10.1128/aac.00427-09

Target ChEMBL ID: CHEMBL3879801
ChEMBL Target Name: NON-PROTEIN TARGET
ChEMBL Target Type: NON-MOLECULAR - Target has not been defined at a molecular level, only the non-molecular entity which is affected (e.g., organism, cell line etc)
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular
Standard TypeStandard RelationStandard ValueStandard Units
MIC=16ug.mL-1
MIC=0.032ug.mL-1
HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16
来源：ChEMBL 靶标：NON-PROTEIN TARGET
External ID: CHEMBL1217783
Protocol: N/A
Comment: Journal: Antimicrob. Agents Chemother.
Year: 2010
Volume: 54
Issue: 1
First Page: 45
Last Page: 51
DOI: 10.1128/aac.00427-09

Target ChEMBL ID: CHEMBL3879801
ChEMBL Target Name: NON-PROTEIN TARGET
ChEMBL Target Type: NON-MOLECULAR - Target has not been defined at a molecular level, only the non-molecular entity which is affected (e.g., organism, cell line etc)
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular
Standard TypeActivity Comment
ActivityNot Active
ActivityNot Active
ActivityNot Active
HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16
来源：ChEMBL 靶标：Streptococcus pneumoniae
External ID: CHEMBL1636735
Protocol: N/A
Comment: Journal: Antimicrob Agents Chemother
Year: 2008
Volume: 52
Issue: 11
First Page: 4155
Last Page: 4158
DOI: 10.1128/aac.00082-08

Target ChEMBL ID: CHEMBL347
ChEMBL Target Name: Streptococcus pneumoniae
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular
Standard TypeStandard RelationStandard ValueStandard Units
IZ=6mm
IZ=25mm
IZ=19mm
IZ=26mm
IZ=18mm
IZ=24mm
IZ=22mm
HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16
来源：ChEMBL 靶标：Klebsiella pneumoniae
External ID: CHEMBL912050
Protocol: N/A
Comment: Journal: Antimicrob Agents Chemother
Year: 2007
Volume: 51
Issue: 1
First Page: 366
Last Page: 368
DOI: 10.1128/aac.00841-06

Target ChEMBL ID: CHEMBL350
ChEMBL Target Name: Klebsiella pneumoniae
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular
Standard TypeStandard RelationStandard ValueStandard Units
MIC>64ug.mL-1
MIC>16ug.mL-1
MIC>8ug.mL-1
MIC>128ug.mL-1
MIC=16ug.mL-1
MIC=128ug.mL-1
MIC>16ug.mL-1
HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16
来源：ChEMBL 靶标：Streptococcus pneumoniae
External ID: CHEMBL1636744
Protocol: N/A
Comment: Journal: Antimicrob Agents Chemother
Year: 2008
Volume: 52
Issue: 11
First Page: 4155
Last Page: 4158
DOI: 10.1128/aac.00082-08

Target ChEMBL ID: CHEMBL347
ChEMBL Target Name: Streptococcus pneumoniae
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular
Standard TypeStandard RelationStandard ValueStandard Units
IZ=6mm
IZ=19mm
IZ=6mm
IZ=28mm
IZ=6mm
IZ=25mm
IZ=21mm
HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16
来源：ChEMBL 靶标：Escherichia coli
External ID: CHEMBL912051
Protocol: N/A
Comment: Journal: Antimicrob Agents Chemother
Year: 2007
Volume: 51
Issue: 1
First Page: 366
Last Page: 368
DOI: 10.1128/aac.00841-06

Target ChEMBL ID: CHEMBL354
ChEMBL Target Name: Escherichia coli
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular
Standard TypeStandard RelationStandard ValueStandard Units
MIC=32ug.mL-1
MIC=0.25ug.mL-1
MIC=1ug.mL-1
MIC=32ug.mL-1
MIC=4ug.mL-1
MIC=128ug.mL-1
MIC=0.5ug.mL-1
HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16
来源：ChEMBL 靶标：Streptococcus pneumoniae
External ID: CHEMBL1636745
Protocol: N/A
Comment: Journal: Antimicrob Agents Chemother
Year: 2008
Volume: 52
Issue: 11
First Page: 4155
Last Page: 4158
DOI: 10.1128/aac.00082-08

Target ChEMBL ID: CHEMBL347
ChEMBL Target Name: Streptococcus pneumoniae
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular
Standard TypeStandard RelationStandard ValueStandard Units
IZ=13mm
IZ=19mm
IZ=6mm
IZ=26mm
IZ=13mm
IZ=25mm
IZ=22mm
HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16
来源：ChEMBL 靶标：Klebsiella pneumoniae
External ID: CHEMBL912052
Protocol: N/A
Comment: Journal: Antimicrob Agents Chemother
Year: 2007
Volume: 51
Issue: 1
First Page: 366
Last Page: 368
DOI: 10.1128/aac.00841-06

Target ChEMBL ID: CHEMBL350
ChEMBL Target Name: Klebsiella pneumoniae
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular
Standard TypeStandard RelationStandard ValueStandard Units
MIC>64ug.mL-1
MIC=16ug.mL-1
MIC>8ug.mL-1
MIC=32ug.mL-1
MIC>128ug.mL-1
MIC>128ug.mL-1
MIC=4ug.mL-1
HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16
来源：ChEMBL 靶标：Streptococcus pneumoniae
External ID: CHEMBL1636746
Protocol: N/A
Comment: Journal: Antimicrob Agents Chemother
Year: 2008
Volume: 52
Issue: 11
First Page: 4155
Last Page: 4158
DOI: 10.1128/aac.00082-08

Target ChEMBL ID: CHEMBL347
ChEMBL Target Name: Streptococcus pneumoniae
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular
Standard TypeStandard RelationStandard ValueStandard Units
IZ=6mm
IZ=24mm
IZ=6mm
IZ=31mm
IZ=13mm
IZ=28mm
IZ=22mm
HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16
来源：ChEMBL 靶标：DNA gyrase subunit B
External ID: CHEMBL657330
Protocol: N/A
Comment: Journal: Bioorg. Med. Chem. Lett.
Year: 1992
Volume: 2
Issue: 7
First Page: 643
Last Page: 646
DOI: 10.1016/S0960-894X(00)80380-7

Target ChEMBL ID: CHEMBL2094139
ChEMBL Target Name: DNA gyrase
ChEMBL Target Type: PROTEIN COMPLEX - Target is a defined protein complex, consisting of multiple subunits
Relationship Type: D - Direct protein target assigned
Confidence: Direct protein complex subunits assigned
Standard TypeStandard RelationStandard ValueStandard Units
IC0=25ug ml-1
IC0=0.12ug ml-1
IC0=0.64ug ml-1
HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16
来源：ChEMBL 靶标：Escherichia coli
External ID: CHEMBL912053
Protocol: N/A
Comment: Journal: Antimicrob Agents Chemother
Year: 2007
Volume: 51
Issue: 1
First Page: 366
Last Page: 368
DOI: 10.1128/aac.00841-06

Target ChEMBL ID: CHEMBL354
ChEMBL Target Name: Escherichia coli
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular
Standard TypeStandard RelationStandard ValueStandard Units
MIC=32ug.mL-1
MIC=0.5ug.mL-1
MIC=0.5ug.mL-1
MIC=4ug.mL-1
MIC=16ug.mL-1
MIC=128ug.mL-1
MIC=0.25ug.mL-1
HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16
来源：ChEMBL 靶标：Streptococcus pneumoniae
External ID: CHEMBL1636747
Protocol: N/A
Comment: Journal: Antimicrob Agents Chemother
Year: 2008
Volume: 52
Issue: 11
First Page: 4155
Last Page: 4158
DOI: 10.1128/aac.00082-08

Target ChEMBL ID: CHEMBL347
ChEMBL Target Name: Streptococcus pneumoniae
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular
Standard TypeStandard RelationStandard ValueStandard Units
IZ=6mm
IZ=13mm
IZ=6mm
IZ=27mm
IZ=6mm
IZ=24mm
IZ=19mm
HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16
来源：ChEMBL 靶标：Streptococcus pneumoniae
External ID: CHEMBL1636748
Protocol: N/A
Comment: Journal: Antimicrob Agents Chemother
Year: 2008
Volume: 52
Issue: 11
First Page: 4155
Last Page: 4158
DOI: 10.1128/aac.00082-08

Target ChEMBL ID: CHEMBL347
ChEMBL Target Name: Streptococcus pneumoniae
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular
Standard TypeStandard RelationStandard ValueStandard Units
IZ=6mm
IZ=10mm
IZ=6mm
IZ=25mm
IZ=6mm
IZ=19mm
IZ=15mm
HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16
来源：ChEMBL 靶标：DNA gyrase subunit B
External ID: CHEMBL657332
Protocol: N/A
Comment: Journal: Bioorg. Med. Chem. Lett.
Year: 1992
Volume: 2
Issue: 7
First Page: 643
Last Page: 646
DOI: 10.1016/S0960-894X(00)80380-7

Target ChEMBL ID: CHEMBL2094139
ChEMBL Target Name: DNA gyrase
ChEMBL Target Type: PROTEIN COMPLEX - Target is a defined protein complex, consisting of multiple subunits
Relationship Type: D - Direct protein target assigned
Confidence: Direct protein complex subunits assigned
Standard TypeStandard RelationStandard ValueStandard Units
IC100=200ug ml-1
IC100=10ug ml-1
IC100=20ug ml-1
HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16
来源：ChEMBL 靶标：Streptococcus pneumoniae
External ID: CHEMBL1636749
Protocol: N/A
Comment: Journal: Antimicrob Agents Chemother
Year: 2008
Volume: 52
Issue: 11
First Page: 4155
Last Page: 4158
DOI: 10.1128/aac.00082-08

Target ChEMBL ID: CHEMBL347
ChEMBL Target Name: Streptococcus pneumoniae
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular
Standard TypeStandard RelationStandard ValueStandard Units
IZ=6mm
IZ=6mm
IZ=6mm
IZ=12mm
IZ=6mm
IZ=6mm
IZ=6mm
HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16
来源：ChEMBL 靶标：Escherichia coli
External ID: CHEMBL912048
Protocol: N/A
Comment: Journal: Antimicrob Agents Chemother
Year: 2007
Volume: 51
Issue: 1
First Page: 366
Last Page: 368
DOI: 10.1128/aac.00841-06

Target ChEMBL ID: CHEMBL354
ChEMBL Target Name: Escherichia coli
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular
Standard TypeStandard RelationStandard ValueStandard Units
MIC=8ug.mL-1
MIC=0.03ug.mL-1
MIC=0.06ug.mL-1
MIC=4ug.mL-1
MIC<0.25ug.mL-1
MIC=1ug.mL-1
MIC=0.06ug.mL-1
HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16
来源：ChEMBL 靶标：Streptococcus pneumoniae
External ID: CHEMBL1636899
Protocol: N/A
Comment: Journal: Antimicrob Agents Chemother
Year: 2008
Volume: 52
Issue: 11
First Page: 4155
Last Page: 4158
DOI: 10.1128/aac.00082-08

Target ChEMBL ID: CHEMBL347
ChEMBL Target Name: Streptococcus pneumoniae
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular
Standard TypeStandard RelationStandard ValueStandard Units
IZ=6mm
IZ=6mm
IZ=6mm
IZ=18mm
IZ=6mm
IZ=12mm
IZ=6mm
HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16
来源：ChEMBL 靶标：Escherichia coli
External ID: CHEMBL912049
Protocol: N/A
Comment: Journal: Antimicrob Agents Chemother
Year: 2007
Volume: 51
Issue: 1
First Page: 366
Last Page: 368
DOI: 10.1128/aac.00841-06

Target ChEMBL ID: CHEMBL354
ChEMBL Target Name: Escherichia coli
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular
Standard TypeStandard RelationStandard ValueStandard Units
MIC=16ug.mL-1
MIC=0.5ug.mL-1
MIC=0.5ug.mL-1
MIC>128ug.mL-1
MIC=64ug.mL-1
MIC=128ug.mL-1
MIC=0.25ug.mL-1
HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16
来源：ChEMBL 靶标：Streptococcus pneumoniae
External ID: CHEMBL1636900
Protocol: N/A
Comment: Journal: Antimicrob Agents Chemother
Year: 2008
Volume: 52
Issue: 11
First Page: 4155
Last Page: 4158
DOI: 10.1128/aac.00082-08

Target ChEMBL ID: CHEMBL347
ChEMBL Target Name: Streptococcus pneumoniae
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular
Standard TypeStandard RelationStandard ValueStandard Units
IZ=6mm
IZ=6mm
IZ=6mm
IZ=21mm
IZ=6mm
IZ=11mm
IZ=12mm
HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16
来源：ChEMBL 靶标：Escherichia coli
External ID: CHEMBL912058
Protocol: N/A
Comment: Journal: Antimicrob Agents Chemother
Year: 2007
Volume: 51
Issue: 1
First Page: 366
Last Page: 368
DOI: 10.1128/aac.00841-06

Target ChEMBL ID: CHEMBL354
ChEMBL Target Name: Escherichia coli
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular
Standard TypeStandard RelationStandard ValueStandard Units
MIC=32ug.mL-1
MIC=1ug.mL-1
MIC=0.5ug.mL-1
MIC>128ug.mL-1
MIC=64ug.mL-1
MIC=64ug.mL-1
MIC=0.25ug.mL-1
HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16
来源：ChEMBL 靶标：Streptococcus pneumoniae
External ID: CHEMBL1636736
Protocol: N/A
Comment: Journal: Antimicrob Agents Chemother
Year: 2008
Volume: 52
Issue: 11
First Page: 4155
Last Page: 4158
DOI: 10.1128/aac.00082-08

Target ChEMBL ID: CHEMBL347
ChEMBL Target Name: Streptococcus pneumoniae
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular
Standard TypeStandard RelationStandard ValueStandard Units
IZ=6mm
IZ=21mm
IZ=19mm
IZ=26mm
IZ=17mm
IZ=23mm
IZ=21mm
HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16
来源：ChEMBL 靶标：Streptococcus pneumoniae
External ID: CHEMBL1636737
Protocol: N/A
Comment: Journal: Antimicrob Agents Chemother
Year: 2008
Volume: 52
Issue: 11
First Page: 4155
Last Page: 4158
DOI: 10.1128/aac.00082-08

Target ChEMBL ID: CHEMBL347
ChEMBL Target Name: Streptococcus pneumoniae
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular
Standard TypeStandard RelationStandard ValueStandard Units
IZ=6mm
IZ=23mm
IZ=21mm
IZ=28mm
IZ=21mm
IZ=26mm
IZ=24mm
HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16
来源：ChEMBL 靶标：DNA gyrase subunit B
External ID: CHEMBL658170
Protocol: N/A
Comment: Journal: Bioorg. Med. Chem. Lett.
Year: 1998
Volume: 8
Issue: 1
First Page: 97
Last Page: 100
DOI: 10.1016/s0960-894x(97)10197-4

Target ChEMBL ID: CHEMBL2094139
ChEMBL Target Name: DNA gyrase
ChEMBL Target Type: PROTEIN COMPLEX - Target is a defined protein complex, consisting of multiple subunits
Relationship Type: D - Direct protein target assigned
Confidence: Direct protein complex subunits assigned
Standard TypeStandard RelationStandard ValueStandard UnitsData Validity Comment
IC50>500ug.mL-1Outside typical range
IC50>500ug.mL-1Outside typical range
IC50>500ug.mL-1Outside typical range
IC50=80ug.mL-1Outside typical range
IC50=130ug.mL-1Outside typical range
IC50=1.8ug.mL-1
IC50=52ug.mL-1Outside typical range
IC50=47ug.mL-1
HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16
来源：ChEMBL 靶标：Streptococcus pneumoniae
External ID: CHEMBL1636738
Protocol: N/A
Comment: Journal: Antimicrob Agents Chemother
Year: 2008
Volume: 52
Issue: 11
First Page: 4155
Last Page: 4158
DOI: 10.1128/aac.00082-08

Target ChEMBL ID: CHEMBL347
ChEMBL Target Name: Streptococcus pneumoniae
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular
Standard TypeStandard RelationStandard ValueStandard Units
IZ=6mm
IZ=21mm
IZ=18mm
IZ=24mm
IZ=19mm
IZ=23mm
IZ=23mm
HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16
来源：ChEMBL 靶标：Streptococcus pneumoniae
External ID: CHEMBL1636739
Protocol: N/A
Comment: Journal: Antimicrob Agents Chemother
Year: 2008
Volume: 52
Issue: 11
First Page: 4155
Last Page: 4158
DOI: 10.1128/aac.00082-08

Target ChEMBL ID: CHEMBL347
ChEMBL Target Name: Streptococcus pneumoniae
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular
Standard TypeStandard RelationStandard ValueStandard Units
IZ=6mm
IZ=25mm
IZ=22mm
IZ=27mm
IZ=23mm
IZ=24mm
IZ=26mm
HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16
来源：ChEMBL 靶标：Klebsiella pneumoniae
External ID: CHEMBL912054
Protocol: N/A
Comment: Journal: Antimicrob Agents Chemother
Year: 2007
Volume: 51
Issue: 1
First Page: 366
Last Page: 368
DOI: 10.1128/aac.00841-06

Target ChEMBL ID: CHEMBL350
ChEMBL Target Name: Klebsiella pneumoniae
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular
Standard TypeStandard RelationStandard ValueStandard Units
MIC>64ug.mL-1
MIC=16ug.mL-1
MIC=8ug.mL-1
MIC=16ug.mL-1
MIC=64ug.mL-1
MIC=128ug.mL-1
MIC=8ug.mL-1
HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16
来源：ChEMBL 靶标：Streptococcus pneumoniae
External ID: CHEMBL1636740
Protocol: N/A
Comment: Journal: Antimicrob Agents Chemother
Year: 2008
Volume: 52
Issue: 11
First Page: 4155
Last Page: 4158
DOI: 10.1128/aac.00082-08

Target ChEMBL ID: CHEMBL347
ChEMBL Target Name: Streptococcus pneumoniae
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular
Standard TypeStandard RelationStandard ValueStandard Units
IZ=6mm
IZ=23mm
IZ=16mm
IZ=25mm
IZ=18mm
IZ=22mm
IZ=19mm
HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16
来源：ChEMBL 靶标：Escherichia coli
External ID: CHEMBL912055
Protocol: N/A
Comment: Journal: Antimicrob Agents Chemother
Year: 2007
Volume: 51
Issue: 1
First Page: 366
Last Page: 368
DOI: 10.1128/aac.00841-06

Target ChEMBL ID: CHEMBL354
ChEMBL Target Name: Escherichia coli
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular
Standard TypeStandard RelationStandard ValueStandard Units
MIC=32ug.mL-1
MIC=0.5ug.mL-1
MIC=1ug.mL-1
MIC=4ug.mL-1
MIC=16ug.mL-1
MIC=128ug.mL-1
MIC=0.25ug.mL-1
HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16
来源：ChEMBL 靶标：Streptococcus pneumoniae
External ID: CHEMBL1636741
Protocol: N/A
Comment: Journal: Antimicrob Agents Chemother
Year: 2008
Volume: 52
Issue: 11
First Page: 4155
Last Page: 4158
DOI: 10.1128/aac.00082-08

Target ChEMBL ID: CHEMBL347
ChEMBL Target Name: Streptococcus pneumoniae
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular
Standard TypeStandard RelationStandard ValueStandard Units
IZ=8mm
IZ=22mm
IZ=18mm
IZ=25mm
IZ=20mm
IZ=22mm
IZ=22mm
HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16
来源：ChEMBL 靶标：DNA gyrase subunit B
External ID: CHEMBL857618
Protocol: N/A
Comment: Journal: Bioorg. Med. Chem. Lett.
Year: 1992
Volume: 2
Issue: 7
First Page: 643
Last Page: 646
DOI: 10.1016/S0960-894X(00)80380-7

Target ChEMBL ID: CHEMBL2094139
ChEMBL Target Name: DNA gyrase
ChEMBL Target Type: PROTEIN COMPLEX - Target is a defined protein complex, consisting of multiple subunits
Relationship Type: D - Direct protein target assigned
Confidence: Direct protein complex subunits assigned
Standard TypeStandard RelationStandard ValueStandard Units
MIC=2.5ug.mL-1
MIC=0.009ug.mL-1
MIC=0.019ug.mL-1
HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16
来源：ChEMBL 靶标：Klebsiella pneumoniae
External ID: CHEMBL912056
Protocol: N/A
Comment: Journal: Antimicrob Agents Chemother
Year: 2007
Volume: 51
Issue: 1
First Page: 366
Last Page: 368
DOI: 10.1128/aac.00841-06

Target ChEMBL ID: CHEMBL350
ChEMBL Target Name: Klebsiella pneumoniae
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular
Standard TypeStandard RelationStandard ValueStandard Units
MIC>64ug.mL-1
MIC=16ug.mL-1
MIC=8ug.mL-1
MIC=16ug.mL-1
MIC=4ug.mL-1
MIC=128ug.mL-1
MIC=16ug.mL-1
HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16
来源：ChEMBL 靶标：Streptococcus pneumoniae
External ID: CHEMBL1636742
Protocol: N/A
Comment: Journal: Antimicrob Agents Chemother
Year: 2008
Volume: 52
Issue: 11
First Page: 4155
Last Page: 4158
DOI: 10.1128/aac.00082-08

Target ChEMBL ID: CHEMBL347
ChEMBL Target Name: Streptococcus pneumoniae
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular
Standard TypeStandard RelationStandard ValueStandard Units
IZ=6mm
IZ=23mm
IZ=13mm
IZ=26mm
IZ=17mm
IZ=23mm
IZ=21mm
HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16
来源：ChEMBL 靶标：Escherichia coli
External ID: CHEMBL912057
Protocol: N/A
Comment: Journal: Antimicrob Agents Chemother
Year: 2007
Volume: 51
Issue: 1
First Page: 366
Last Page: 368
DOI: 10.1128/aac.00841-06

Target ChEMBL ID: CHEMBL354
ChEMBL Target Name: Escherichia coli
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular
Standard TypeStandard RelationStandard ValueStandard Units
MIC=32ug.mL-1
MIC=1ug.mL-1
MIC=0.5ug.mL-1
MIC=4ug.mL-1
MIC=2ug.mL-1
MIC=64ug.mL-1
MIC=0.25ug.mL-1
HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16
来源：ChEMBL 靶标：Streptococcus pneumoniae
External ID: CHEMBL1636743
Protocol: N/A
Comment: Journal: Antimicrob Agents Chemother
Year: 2008
Volume: 52
Issue: 11
First Page: 4155
Last Page: 4158
DOI: 10.1128/aac.00082-08

Target ChEMBL ID: CHEMBL347
ChEMBL Target Name: Streptococcus pneumoniae
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular
Standard TypeStandard RelationStandard ValueStandard Units
IZ=6mm
IZ=13mm
IZ=6mm
IZ=21mm
IZ=6mm
IZ=20mm
IZ=6mm
HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16
来源：ChEMBL 靶标：NON-PROTEIN TARGET
External ID: CHEMBL1282981
Protocol: N/A
Comment: Journal: Antimicrob. Agents Chemother.
Year: 2008
Volume: 52
Issue: 10
First Page: 3604
Last Page: 3611
DOI: 10.1128/aac.00661-08

Target ChEMBL ID: CHEMBL3879801
ChEMBL Target Name: NON-PROTEIN TARGET
ChEMBL Target Type: NON-MOLECULAR - Target has not been defined at a molecular level, only the non-molecular entity which is affected (e.g., organism, cell line etc)
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular
Standard TypeStandard RelationStandard ValueStandard Units
MIC=4ug.mL-1
MIC=0.03ug.mL-1
MIC=0.06ug.mL-1
MIC=1024ug.mL-1
MIC=1024ug.mL-1
MIC=512ug.mL-1
MIC=512ug.mL-1
MIC=4ug.mL-1
MIC=1024ug.mL-1
MIC=512ug.mL-1
MIC=0.12ug.mL-1
MIC=1024ug.mL-1
MIC=2ug.mL-1
MIC=512ug.mL-1
MIC=2ug.mL-1
HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16
来源：ChEMBL 靶标：Streptococcus pneumoniae
External ID: CHEMBL1636901
Protocol: N/A
Comment: Journal: Antimicrob Agents Chemother
Year: 2008
Volume: 52
Issue: 11
First Page: 4155
Last Page: 4158
DOI: 10.1128/aac.00082-08

Target ChEMBL ID: CHEMBL347
ChEMBL Target Name: Streptococcus pneumoniae
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular
Standard TypeStandard RelationStandard ValueStandard Units
IZ=14mm
IZ=6mm
IZ=6mm
IZ=18mm
IZ=6mm
IZ=11mm
IZ=6mm
HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16
来源：ChEMBL 靶标：Streptococcus pneumoniae
External ID: CHEMBL1636902
Protocol: N/A
Comment: Journal: Antimicrob Agents Chemother
Year: 2008
Volume: 52
Issue: 11
First Page: 4155
Last Page: 4158
DOI: 10.1128/aac.00082-08

Target ChEMBL ID: CHEMBL347
ChEMBL Target Name: Streptococcus pneumoniae
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular
Standard TypeStandard RelationStandard ValueStandard Units
IZ=6mm
IZ=6mm
IZ=6mm
IZ=17mm
IZ=6mm
IZ=6mm
IZ=6mm
HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16
来源：NCGC 靶标：N/A
External ID: BPDCN-GEN22
Protocol: A total of 500 exponentially growing Gen2.2 cells were seeded per well in 5 uL of media (RPMI + Glutamine, without phenol red plus10% FBS and 1X Pen/Strep) into 1536-well solid white high base tissue culture treated Greiner One Bio Plates (789173-F), using a multidrop combi dispenser and a small sterile cassette. Compounds and controls totaling 23nL per well (negative control DMSO and positive control 9.2 uM Bortezomib-final) were immediately added to the plates using a 1536 head pin tool from Kalypsys. The plates were then covered with stainless steel gasket lids from Kalypsys and incubated for 48 hours at 37C under 95% relative humidity with 5% CO2. After 48 hours, the plates were removed and allowed to reach room temperature before 3 uL of Cell Titer Glo reagent (Promega) were added using an Aurora Flying Reagent Dispenser Bioraptor. The plates were then spun at 1000 rpms to remove bubbles and incubated for 15 minutes at room temperature before reading on a ViewLux using a luminescent filter with a 10 second exposure. The relative luciferase units were used to calculated percent activity using DMSO as 100% and Bortezomib as 0%.
Comment: Compound Ranking:

1. Compounds are first classified as having full titration curves, partial modulation, partial curve (weaker actives), single point activity (at highest concentration only), or inactive. See data field "Curve Description". For this assay, apparent inhibitors are ranked higher than compounds that showed apparent activation.
2. For all inactive compounds, PUBCHEM_ACTIVITY_SCORE is 0. For all active compounds, a score range was given for each curve class type given above. Active compounds have PUBCHEM_ACTIVITY_SCORE between 40 and 100. Inconclusive compounds have PUBCHEM_ACTIVITY_SCORE between 1 and 39. Fit_LogAC50 was used for determining relative score and was scaled to each curve class' score range.
PhenotypePotencyEfficacyAnalysis CommentActivity_ScoreCurve_DescriptionFit_LogAC50Fit_HillSlopeFit_R2Fit_InfiniteActivityFit_ZeroActivityFit_CurveClassExcluded_PointsMax_ResponseActivity at 0.0000311982 uMActivity at 0.0000854986 uMActivity at 0.0001248848 uMActivity at 0.0002290931 uMActivity at 0.0004033765 uMActivity at 0.0007802858 uMActivity at 0.00138 uMActivity at 0.00235 uMActivity at 0.00481 uMActivity at 0.00706 uMActivity at 0.021 uMActivity at 0.031 uMActivity at 0.063 uMActivity at 0.111 uMActivity at 0.190 uMActivity at 0.335 uMActivity at 0.569 uMActivity at 1.004 uMActivity at 1.715 uMActivity at 3.506 uMActivity at 5.147 uMActivity at 15.26 uMActivity at 23.20 uMActivity at 45.80 uMActivity at 92.17 uMCompound QC
Activator9.349537.11450Partial curve; high efficacy; poor fit-5.02924.50450.3394139.866102.75152.30 0 0 0 0 0 0 1 0 0 188.0524128.0096112.723388.625579.246188.4591116.5125107.434240.612105.1422136.374988.0524QC'd by BIOMOL
Activator05142.8394114.1417111.508167.841110.3078162.3881116.8787143.5866138.3617142.280496.0848142.8394QC'd by BIOMOL
Activator0.0066105.25930Complete curve; high efficacy; poor fit-8.17920.70.8893112.3492217.60861.30 0 1 0 0 0 0 0 0 0 1149.7744206.0416175.796299.9709145.4635125.3281120.2334135.1946115.4803122.261890.372149.7744QC'd by BIOMOL
Activator0529.4231126.395381.16586.1405110.3352124.4199134.8609111.812889.3843231.3882107.438329.4231QC'd by BIOMOL
Activator05143.615387.7329109.6233117.133130.2435108.007371.945131.4159458.2894127.4181102.4514143.6153QC'd by BIOMOL
Activator20.931115.76070Partial curve; high efficacy; poor fit-4.67924.50450.672852.682168.44282.30 0 0 0 0 0 0 0 1 0 057.3383156.9875210.0745196.4426169.3007145.4793168.5143122.6219177.1228240.8839147.192657.3383QC'd by BIOMOL
Inactive0-4.87923.51170.74543.7363121.376141 0 0 0 0 0 0 0 0 0 04.995969.848372.4018110.8591122.5541161.1408130.7083144.5237100.537122.353447.45634.9959QC'd by BIOMOL
Activator11.7704120.38030Partial curve; high efficacy; poor fit-4.92924.95490.6857256.5786136.19822.30 0 0 0 0 0 0 0 0 0 1129.6573124.8033153.6337147.2807166.633130.3024101.8421144.7083155.0295116.7688231.6699129.6573QC'd by BIOMOL
Activator05123.0403128.8699210.7699190.2566146.8479215.4495109.2714124.0291164.0907204.8081137.4596123.0403QC'd by BIOMOL
Activator3.722132.65680Complete curve; high efficacy; poor fit-5.42924.95490.427689.2254121.88221.30 1 0 0 0 0 0 0 0 0 0100.467287.1822158.1858123.8552104.2031121.5711143.849137.3495134.381992.833779.7182100.4672QC'd by BIOMOL
Activator1.4818129.40820Complete curve; high efficacy; poor fit-5.82920.90.7836.537165.94521.30 0 1 0 0 0 0 0 0 0 042.5687179.6537123.5264118.8734141.6283179.6193162.418995.5446129.667848.147154.875542.5687QC'd by BIOMOL
Activator0.066223.89990Complete curve; high efficacy; poor fit-7.17924.95490.3972157.0608133.16091.30 0 0 0 1 0 0 0 0 0 0156.4182131.6383146.4008133.9209120.0163196.9193161.7274189.7061147.8016155.1127132.5334156.4182QC'd by BIOMOL
Activator1.662639.6820Complete curve; high efficacy; poor fit-5.77924.95490.639368.8456108.52751.30 0 0 0 0 0 0 0 1 0 058.2968104.901585.3011114.5667123.321105.330499.8094125.775785.4017139.460580.25458.2968QC'd by BIOMOL
Activator7.4266132.89130Complete curve; high efficacy; poor fit-5.12921.96730.519645.9316178.8231.30 0 0 0 0 0 1 0 0 0 046.3684155.3315110.8327150.523132.3744223.2312259.9272370.7888225.3172120.431280.827846.3684QC'd by BIOMOL
Activator26.350664.97420Partial curve; high efficacy; poor fit-4.57924.50450.778765.5932130.56752.30 0 0 0 0 0 0 1 0 0 070.9665137.7579130.009140.9582142.8709108.0684128.1229122.723883.1025134.1418125.198170.9665QC'd by BIOMOL
Activator0.066242.96070Complete curve; high efficacy; poor fit-7.17924.95490.3774171.918128.95731.30 0 0 0 1 0 0 0 0 0 0186.2327131.3763114.3898169.2145100.0259417.4076185.7832137.3011196.8317196.7498128.9228186.2327QC'd by BIOMOL
Activator20.931357.07590Partial curve; high efficacy-4.67921.62660.9443496.1622139.08632.10 0 0 0 0 0 0 0 0 0 0450.0879120.9857123.3915150.1624127.9468154.6912129.5912127.2593186.5804191.2598245.2113450.0879QC'd by BIOMOL
Inactive0-5.52923.19250.683822.4254105.728640 0 0 0 0 1 0 0 0 0 026.507899.36974.653492.2028101.995999.5674165.511173.039787.234839.914614.050826.5078QC'd by BIOMOL
Activator4.685957.81330Complete curve; high efficacy; poor fit-5.32924.95490.7192154.795696.98231.30 0 0 1 0 0 0 0 0 0 0156.374697.7645116.034697.6905140.541797.0357110.7006102.992857.4166132.01153.4092156.3746QC'd by BIOMOL
Activator23.48541.33940Partial curve; high efficacy; poor fit-4.629210.526488.6415129.98092.30 1 0 0 0 0 0 0 0 0 097.9229133.620896.1141131.6403139.2531128.2736113.9247123.5101139.3218112.8157122.812997.9229QC'd by BIOMOL
HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16
来源：NCGC 靶标：N/A
External ID: BPDCN-CAL1
Protocol: A total of 500 exponentially growing Cal-1 cells were seeded per well in 5 uL of media (RPMI + Glutamine, without phenol red plus10% FBS and 1X Pen/Strep) into 1536-well solid white high base tissue culture treated Greiner One Bio Plates (789173-F), using a multidrop combi dispenser and a small sterile cassette. Compounds and controls totaling 23nL per well (negative control DMSO and positive control 9.2 uM Bortezomib-final) were immediately added to the plates using a 1536 head pin tool from Kalypsys. The plates were then covered with stainless steel gasket lids from Kalypsys and incubated for 48 hours at 37C under 95% relative humidity with 5% CO2. After 48 hours, the plates were removed and allowed to reach room temperature before 3 uL of Cell Titer Glo reagent (Promega) were added using an Aurora Flying Reagent Dispenser Bioraptor. The plates were then spun at 1000 rpms to remove bubbles and incubated for 15 minutes at room temperature before reading on a ViewLux using a luminescent filter with a 10 second exposure. The relative luciferase units were used to calculated percent activity using DMSO as 100% and Bortezomib as 0%.
Comment: Compound Ranking:

1. Compounds are first classified as having full titration curves, partial modulation, partial curve (weaker actives), single point activity (at highest concentration only), or inactive. See data field "Curve Description". For this assay, apparent inhibitors are ranked higher than compounds that showed apparent activation.
2. For all inactive compounds, PUBCHEM_ACTIVITY_SCORE is 0. For all active compounds, a score range was given for each curve class type given above. Active compounds have PUBCHEM_ACTIVITY_SCORE between 40 and 100. Inconclusive compounds have PUBCHEM_ACTIVITY_SCORE between 1 and 39. Fit_LogAC50 was used for determining relative score and was scaled to each curve class' score range.
PhenotypePotencyEfficacyAnalysis CommentActivity_ScoreCurve_DescriptionFit_LogAC50Fit_HillSlopeFit_R2Fit_InfiniteActivityFit_ZeroActivityFit_CurveClassExcluded_PointsMax_ResponseActivity at 0.0000311982 uMActivity at 0.0000854986 uMActivity at 0.0001248848 uMActivity at 0.0002290931 uMActivity at 0.0004033765 uMActivity at 0.0007802858 uMActivity at 0.00138 uMActivity at 0.00235 uMActivity at 0.00481 uMActivity at 0.00706 uMActivity at 0.021 uMActivity at 0.031 uMActivity at 0.063 uMActivity at 0.111 uMActivity at 0.190 uMActivity at 0.335 uMActivity at 0.569 uMActivity at 1.004 uMActivity at 1.715 uMActivity at 3.506 uMActivity at 5.147 uMActivity at 15.26 uMActivity at 23.20 uMActivity at 45.80 uMActivity at 92.17 uMCompound QC
Activator0596.9812124.7788111.862799.1911109.8132115.8543122.7029124.978711.9636106.6618115.3296.9812QC'd by BIOMOL
Activator5.899218.55230Partial curve; high efficacy; poor fit-5.22921.59360.403698.2719116.82422.30 0 0 0 0 0 0 0 0 0 1112.1416116.3242116.0395124.1925105.021117.4347113.456126.6776109.8792109.999101.2806112.1416QC'd by BIOMOL
Activator0.0053140Complete curve; high efficacy; poor fit-8.27921.010.4672116.3066102.30661.30 0 0 0 0 0 0 0 0 0 0115.6225103.8066106.9288110.734112.8603113.7842118.7801117.453127.3511110.7768108.9356115.6225QC'd by BIOMOL
Inactive0-4.77922.72020.92567.4047112.261140 0 0 0 0 0 0 0 0 0 011.761291.0017111.0572112.5676117.0089126.6768110.9798121.4511106.8272107.246267.780211.7612QC'd by BIOMOL
Activator05113.2428112.6901103.509103.9003102.6066116.1617101.937105.552969.0952107.2108101.4004113.2428QC'd by BIOMOL
Inactive0-4.77923.1320.95268.0992113.058640 0 0 0 0 0 0 0 0 0 03.8949109.004119.742107.3798101.7335102.3462118.5813117.9993118.1915117.629571.87863.8949QC'd by BIOMOL
Inactive0-4.87921.75290.9755-3.302111.272940 0 0 0 0 0 0 0 0 0 09.2164111.826113.9215114.6486108.2664119.8515109.8219108.562295.88998.580743.56689.2164QC'd by BIOMOL
Activator16.626124.87630Partial curve; high efficacy; poor fit-4.77921.69240.347492.6528117.5292.30 0 0 0 0 0 0 0 0 0 095.2635108.3173105.9493113.7331109.0795117.0458137.3809129.6073122.6355108.5839108.131495.2635QC'd by BIOMOL
Activator05112.755117.1575116.8914112.2579112.3712121.4293115.3043115.3089107.1441121.4021110.4386112.755QC'd by BIOMOL
Inactive0-4.77922.18760.988510.0687113.747640 0 0 0 0 0 0 0 0 0 017.4423109.6122112.2788114.0082120.8283115.6809111.1114117.7232111.2532104.416766.142317.4423QC'd by BIOMOL
Inactive0-5.52924.50450.98317.5135117.599740 0 0 0 0 0 0 0 0 0 012.8583129.2377109.7349118.9217115.1912116.2997113.6696110.2515109.547223.646124.047512.8583QC'd by BIOMOL
Activator18.654846.19170Partial curve; high efficacy; poor fit-4.72924.50450.824765.8443112.03612.30 0 0 0 0 0 0 0 0 0 066.877599.5341112.8886111.9402121.8966115.7352104.7994116.4969106.3102117.563697.729766.8775QC'd by BIOMOL
Activator23.48562.95570Partial curve; high efficacy; poor fit-4.62924.0950.872243.341106.29672.30 0 0 0 0 0 0 0 0 0 048.3003107.43119.6331100.973899.0434113.2845112.3172103.148797.5313103.168398.057948.3003QC'd by BIOMOL
Inactive0-6.17920.90.991413.9467122.275740 0 0 0 0 0 0 0 0 0 016.0493121.1837125.2456121.294112.6383110.2161103.73666.18643.993533.762219.090416.0493QC'd by BIOMOL
Inactive0-4.72922.72020.979810.0162112.861540 0 0 0 0 0 0 0 0 0 012.0535113.9203107.621117.2056105.2005113.2177112.1472115.6483117.9416106.765277.54812.0535QC'd by BIOMOL
Activator10.490433.93550Complete curve; high efficacy; poor fit-4.97924.95490.813387.1253121.06091.30 0 0 0 0 0 0 0 0 0 087.3266113.333118.7195122.2141120.0529128.8421109.7936131.8841120.4381122.173491.04487.3266QC'd by BIOMOL
Activator05106.0617105.1595.4872110.3326113.665116.9489116.2338108.1254105.7991103.2361100.4977106.0617QC'd by BIOMOL
Inactive0-5.97921.10.982913.892796.744840 0 0 0 0 0 0 0 0 0 017.662101.545396.414590.127794.5053100.607678.9371.978945.24927.207613.540717.662QC'd by BIOMOL
Activator0.74275.43280Complete curve; high efficacy; poor fit-6.12924.95490.4642117.2092111.77641.30 0 0 0 0 0 0 0 0 0 1111.9075115.2092111.9615115.9844108.9243109.7763107.7652113.0327118.4395118.7792114.168111.9075QC'd by BIOMOL
Activator05109.5103113.4756109.9484115.0474114.0506116.6804107.3915105.6838121.9588114.747114.6431109.5103QC'd by BIOMOL
HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16
来源：ChEMBL 靶标：NON-PROTEIN TARGET
External ID: CHEMBL1282988
Protocol: N/A
Comment: Journal: Antimicrob. Agents Chemother.
Year: 2008
Volume: 52
Issue: 10
First Page: 3604
Last Page: 3611
DOI: 10.1128/aac.00661-08

Target ChEMBL ID: CHEMBL3879801
ChEMBL Target Name: NON-PROTEIN TARGET
ChEMBL Target Type: NON-MOLECULAR - Target has not been defined at a molecular level, only the non-molecular entity which is affected (e.g., organism, cell line etc)
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular
Standard TypeStandard RelationStandard ValueStandard Units
MIC=4ug.mL-1
MIC=0.03ug.mL-1
MIC=0.25ug.mL-1
MIC=1024ug.mL-1
MIC=1024ug.mL-1
MIC=256ug.mL-1
MIC=512ug.mL-1
MIC=4ug.mL-1
MIC=1024ug.mL-1
MIC=256ug.mL-1
MIC=0.12ug.mL-1
MIC=1024ug.mL-1
MIC=2ug.mL-1
MIC=256ug.mL-1
MIC=2ug.mL-1
HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16
来源：ChEMBL 靶标：Escherichia coli
External ID: CHEMBL675392
Protocol: N/A
Comment: Journal: J. Med. Chem.
Year: 1984
Volume: 27
Issue: 3
First Page: 292
Last Page: 301
DOI: 10.1021/jm00369a011

Target ChEMBL ID: CHEMBL354
ChEMBL Target Name: Escherichia coli
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular
Standard TypeStandard RelationStandard ValueStandard Units
MIC=1.56ug.mL-1
MIC=1.56ug.mL-1
MIC=0.2ug.mL-1
MIC=0.39ug.mL-1
MIC=0.2ug.mL-1
MIC=0.2ug.mL-1
MIC=0.78ug.mL-1
MIC=0.2ug.mL-1
MIC=3.13ug.mL-1
MIC=3.13ug.mL-1
MIC=1.56ug.mL-1
MIC=6.25ug.mL-1
MIC=0.78ug.mL-1
MIC=6.25ug.mL-1
MIC=0.1ug.mL-1
HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16
来源：ChEMBL 靶标：Escherichia coli
External ID: CHEMBL1218001
Protocol: N/A
Comment: Journal: Antimicrob Agents Chemother
Year: 2010
Volume: 54
Issue: 1
First Page: 164
Last Page: 169
DOI: 10.1128/aac.00310-09

Target ChEMBL ID: CHEMBL354
ChEMBL Target Name: Escherichia coli
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular
Standard TypeStandard RelationStandard ValueStandard Units
MIC=4ug.mL-1
MIC=0.5ug.mL-1
MIC=4ug.mL-1
MIC=8ug.mL-1
MIC=16ug.mL-1
MIC=16ug.mL-1
MIC=1ug.mL-1
MIC=2ug.mL-1
MIC=8ug.mL-1
MIC=0.5ug.mL-1
MIC>512ug.mL-1
MIC=1ug.mL-1
MIC=2ug.mL-1
HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16
来源：ChEMBL 靶标：Escherichia coli
External ID: CHEMBL1218000
Protocol: N/A
Comment: Journal: Antimicrob Agents Chemother
Year: 2010
Volume: 54
Issue: 1
First Page: 164
Last Page: 169
DOI: 10.1128/aac.00310-09

Target ChEMBL ID: CHEMBL354
ChEMBL Target Name: Escherichia coli
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular
Standard TypeStandard RelationStandard ValueStandard Units
MIC=4ug.mL-1
MIC=0.5ug.mL-1
MIC=8ug.mL-1
MIC=4ug.mL-1
MIC=4ug.mL-1
MIC=2ug.mL-1
MIC=0.25ug.mL-1
MIC=1ug.mL-1
MIC=0.125ug.mL-1
MIC=0.03ug.mL-1
MIC>512ug.mL-1
MIC=0.125ug.mL-1
MIC=2ug.mL-1
HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16
来源：824 靶标：
External ID: ERR985
Protocol: Tox21 Assay Protocol Summary:

The ERR cells were dispensed at 2,000 cells/5 ul/well in 1536-well white plates using a Multidrop dispenser. After the assay plates were incubated at a 37 C/5% CO2 incubator for 6 hours, 23 nL of compounds dissolved in DMSO, positive and negative controls or DMSO only was transferred to the assay plate by a pin tool. The plates were incubated at 37 C for 18 hours. 4 ul/well of One-Glo reagent was added into the assay plates using a Flying Reagent Dispenser. After 30-minute incubation at room temperature, the luminescence intensity in the plates was measured using a ViewLux plate reader.
Comment: Disclaimer:

Although all reasonable efforts have been made to ensure the accuracy and reliability of the data, caution should be exercised when interpreting the results as artifacts are possible from nonspecific effects such as assay signal interference. The curve fitting and activity calls presented here are based on the NCATS analysis methods. Alternative analysis methods and interpretations of the data are available at EPA (http://actor.epa.gov) and NTP (http://tools.niehs.nih.gov/cebs3/ui/).

Compound Ranking:

1. Compounds are first classified as having full titration curves, partial modulation, partial curve (weaker actives), single point activity (at highest concentration only), or inactive. See data field "Curve Description". For this assay, apparent inhibitors are ranked higher than compounds that showed apparent activation.
2. For all inactive compounds, PUBCHEM_ACTIVITY_SCORE is 0. For all active compounds, a score range was given for each curve class type given above. Active compounds have PUBCHEM_ACTIVITY_SCORE between 40 and 100. Inconclusive compounds have PUBCHEM_ACTIVITY_SCORE between 1 and 39. Fit_LogAC50 was used for determining relative score and was scaled to each curve class' score range.
Phenotype-Replicate_1Potency-Replicate_1Efficacy-Replicate_1Analysis Comment-Replicate_1Activity_Score-Replicate_1Curve_Description-Replicate_1Fit_LogAC50-Replicate_1Fit_HillSlope-Replicate_1Fit_R2-Replicate_1Fit_InfiniteActivity-Replicate_1Fit_ZeroActivity-Replicate_1Fit_CurveClass-Replicate_1Excluded_Points-Replicate_1Max_Response-Replicate_1Activity at 0.0000060039 uM-Replicate_1Activity at 0.0000137707 uM-Replicate_1Activity at 0.0000545120 uM-Replicate_1Activity at 0.0001296300 uM-Replicate_1Activity at 0.0003002588 uM-Replicate_1Activity at 0.0006197232 uM-Replicate_1Activity at 0.00170 uM-Replicate_1Activity at 0.00522 uM-Replicate_1Activity at 0.013 uM-Replicate_1Activity at 0.030 uM-Replicate_1Activity at 0.068 uM-Replicate_1Activity at 0.153 uM-Replicate_1Activity at 0.349 uM-Replicate_1Activity at 1.067 uM-Replicate_1Activity at 3.267 uM-Replicate_1Activity at 8.386 uM-Replicate_1Activity at 18.95 uM-Replicate_1Activity at 42.46 uM-Replicate_1Activity at 92.41 uM-Replicate_1Activity at 240.3 uM-Replicate_1Activity at 872.4 uM-Replicate_1Activity at 1849.0 uM-Replicate_1Activity at 4135.0 uM-Replicate_1Activity at 9246.0 uM-Replicate_1Activity at 20670.0 uM-Replicate_1Activity at 46230.0 uM-Replicate_1Compound QC-Replicate_1Phenotype-Replicate_2Potency-Replicate_2Efficacy-Replicate_2Analysis Comment-Replicate_2Activity_Score-Replicate_2Curve_Description-Replicate_2Fit_LogAC50-Replicate_2Fit_HillSlope-Replicate_2Fit_R2-Replicate_2
Inactive0004-2.5265-7.1483-6.3353-8.6464-2.6851-3.55893.2191-3.1242-5.8134-5.6348-5.47660.4473-0.0628-2.5265QC'd by SIGMAInactive0-4.274510.6363
Inactive00043.9024-0.01911.091.23652.36520.00372.0670.4851-0.4224-1.0393-0.4413.17850.34623.9024QC'd by SigmaAldrichInactive0
Inactive00040.8889-4.98190.1870.7854-0.1677-2.0871-0.80150.24410.7043-8.80280.1379-2.37921.85830.8889QC'd by ChemServiceInactive0-7.06644.95490.4482
Inhibitor50.390553.327221Partial curve; partial efficacy-4.29773.06540.9802-53.3433-0.0161-2.20 0 0 0 0 0 0 0 0 0 0 0 0 0 0-46.8509-1.3968-0.7491.0621-2.87011.05283.12180.0760.9249-0.49840.7261-1.3704-19.9808-46.8509QC'd by SigmaAldrichInactive0
Inhibitor70.827737.733910Partial curve; partial efficacy; poor fit-4.14981.46410.7102-39.7339-2-2.40 0 0 0 0 0 0 0 0 0 0 0 0 0 0-29.77821.0091-5.79512.7551.2254-6.9293.33021.728-8.1392-0.7165-6.4259-8.7096-8.3826-29.7782QC'd by SigmaAldrichInhibitor70.827741.854910Single point of activity-4.14984.50450.8302
Inhibitor61.503849.916621Partial curve; partial efficacy-4.21113.1320.892-53.3018-3.3852-2.20 0 0 0 0 0 0 0 0 0 0 0 0 0 0-42.2741-8.1807-7.61190.23321.57810.17121.3858-3.7535-3.206-6.6036-4.2950.0288-15.3692-42.2741QC'd by SIGMAInactive0
Inhibitor52.384150.532421Partial curve; partial efficacy-4.28082.40640.9534-51.6847-1.1523-2.20 0 0 0 0 0 0 0 0 0 0 0 0 0 0-40.2915-0.3854-0.06330.2042-1.816-8.719-1.02010.9052-1.1643-1.4537-2.6853-2.4432-20.0028-40.2915QC'd by SIGMAInhibitor58.775939.524221Partial curve; partial efficacy-4.230810.8135
Inactive0004-9.709-4.4881-6.0445-8.8766-4.0388-0.5862-4.6549-8.3113-5.6134-4.8338-4.5642-0.5579-3.4555-9.709QC'd by Alfa AesarInactive0-4.15283.990.694
Inactive00041.66471.2462-0.14863.91093.85360.66890.332-0.85721.14780.26430.82850.06271.34331.6647QC'd by SV ChembiotechInactive0-4.16373.92950.6564
Inactive0-6.2164.95490.70982-6.490740 0 0 0 0 0 0 0 0 0 0 0 0 0 06.5913-5.6041-9.9923-0.3428-7.6059-8.1832-4.6842-7.94470.1162.2630.2481.13570.77486.5913QC'd by SigmaAldrichInactive0
Inactive0-4.16644.95490.6737-25.7581-0.540 0 0 0 0 0 0 0 0 0 0 0 0 0 0-21.0484-0.84940.9603-8.21540.11392.05482.69681.41610.7927-9.70141.13732.2368-2.4398-21.0484QC'd by ChemServiceInactive0-4.36642.33320.8792
Inactive0-8.56773.1320.69960.5-9.217540 0 0 0 0 0 0 0 0 0 0 0 0 0 0-0.1871-8.0979-1.72310.81240.29791.59360.956-0.5761.2867-4.1414-0.48432.01310.0104-0.1871QC'd by SIGMAInactive0
Inactive00045.07940.37572.19050.57630.92270.78453.46994.04961.90151.38273.96340.9117-0.60225.0794QC'd by SIGMAInactive0-4.96862.40640.6273
Inactive0-6.16074.95490.57915.5-2.430540 0 0 0 0 0 0 0 0 0 0 0 0 0 07.1812-3.6421-0.044-0.36213.4152-5.3209-0.5383-7.85872.63685.21583.6992.344410.63857.1812QC'd by City ChemicalInhibitor54.870797.99941Partial curve; high efficacy-4.26071.78850.9628
Inactive0004-7.623-2.2142-5.4178-2.8594-1.2478-3.2961-1.8162-3.3949-3.2651-2.4468-13.60120.62040.0323-7.623QC'd by SIGMAInactive0
Inactive0-7.13754.0950.34570-4.700140 0 0 0 0 0 0 0 0 0 0 0 0 0 0-1.0759-3.7616-3.6914-6.6307-6.3734-2.2758-1.4469-2.07440.5601-2.1426-0.4933-0.57645.1155-1.0759QC'd by SIGMAInactive0-4.58753.29750.926
Inactive0-6.92270.30.66969.5-12.317940 0 0 0 0 0 0 0 0 0 0 0 0 0 010.1368-8.154-8.9165-0.0326-1.7004-6.75864.0282-0.75942.5751-1.1314-0.72269.25986.41410.1368QC'd by SIGMAActivator26.751674.08270Partial curve; high efficacy-4.57272.18760.9777
Inactive0-8.31644.95490.36241-4.006940 0 0 0 0 0 0 0 0 0 0 0 0 0 00.262-4.04751.1113-0.82860.46322.60630.59311.42180.5483-1.23861.81471.70282.46480.262QC'd by SIGMAInactive0-8.81644.95490.6203
Inactive0-4.86070.50.827124-3.343540 0 0 0 0 0 0 0 0 0 0 0 0 0 10.3215-3.1196-2.8382-4.3087-0.9342-1.40680.1964-2.25525.21846.34245.162110.173116.8440.3215QC'd by LKT LabActivator9.757633.8970Complete curve; partial efficacy-5.01073.06540.9367
Inactive0-7.82850.70.757422.5-441 0 0 0 0 0 0 0 0 0 0 0 0 0 13.832412.68164.022614.57444.428120.650914.83922.328422.246920.362223.860820.325322.23313.8324QC'd by SIGMAInactive0-4.42850.80.8451
HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16
来源：ChEMBL 靶标：Salmonella enterica
External ID: CHEMBL1217999
Protocol: N/A
Comment: Journal: Antimicrob Agents Chemother
Year: 2010
Volume: 54
Issue: 1
First Page: 164
Last Page: 169
DOI: 10.1128/aac.00310-09

Target ChEMBL ID: CHEMBL613762
ChEMBL Target Name: Salmonella enterica
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular
Standard TypeStandard RelationStandard ValueStandard Units
MIC=256ug.mL-1
MIC>64ug.mL-1
MIC>512ug.mL-1
MIC=16ug.mL-1
MIC=128ug.mL-1
MIC>32ug.mL-1
MIC>8ug.mL-1
MIC=64ug.mL-1
MIC=8ug.mL-1
MIC>8ug.mL-1
MIC=4ug.mL-1
MIC=8ug.mL-1
MIC=128ug.mL-1
HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16
来源：824 靶标：
External ID: ERR504
Protocol: Assay Protocol Summary:

The ERR cells were dispensed at 2,000 cells/5 ul/well in 1536-well white plates using a Multidrop dispenser. After the assay plates were incubated at a 37 C/5% CO2 incubator for 6 hours, 23 nL of compounds dissolved in DMSO, positive and negative controls or DMSO only was transferred to the assay plate by a pin tool. The plates were incubated at 37 C for 18 hours. 4 ul/well of One-Glo reagent was added into the assay plates using a Flying Reagent Dispenser. After 30-minute incubation at room temperature, the luminescence intensity in the plates was measured using a ViewLux plate reader.
Comment: Disclaimer:

Although all reasonable efforts have been made to ensure the accuracy and reliability of the data, caution should be exercised when interpreting the results as artifacts are possible from nonspecific effects such as assay signal interference. The curve fitting and activity calls presented here are based on the NCATS analysis methods. Alternative analysis methods and interpretations of the data are available at EPA (http://actor.epa.gov) and NTP (http://tools.niehs.nih.gov/cebs3/ui/).

Compound Ranking:

1. Compounds are first classified as having full titration curves, partial modulation, partial curve (weaker actives), single point activity (at highest concentration only), or inactive. See data field "Curve Description". For this assay, apparent activators are ranked higher than compounds that showed apparent inhibition.
2. For all inactive compounds, PUBCHEM_ACTIVITY_SCORE is 0. For all active compounds, a score range was given for each curve class type given above. Active compounds have PUBCHEM_ACTIVITY_SCORE between 40 and 100. Inconclusive compounds have PUBCHEM_ACTIVITY_SCORE between 1 and 39. Fit_LogAC50 was used for determining relative score and was scaled to each curve class' score range.
Phenotype-Replicate_1Potency-Replicate_1Efficacy-Replicate_1Analysis Comment-Replicate_1Activity_Score-Replicate_1Curve_Description-Replicate_1Fit_LogAC50-Replicate_1Fit_HillSlope-Replicate_1Fit_R2-Replicate_1Fit_InfiniteActivity-Replicate_1Fit_ZeroActivity-Replicate_1Fit_CurveClass-Replicate_1Excluded_Points-Replicate_1Max_Response-Replicate_1Activity at 0.0000060039 uM-Replicate_1Activity at 0.0000137707 uM-Replicate_1Activity at 0.0000545120 uM-Replicate_1Activity at 0.0001296300 uM-Replicate_1Activity at 0.0003002588 uM-Replicate_1Activity at 0.0006197232 uM-Replicate_1Activity at 0.00170 uM-Replicate_1Activity at 0.00522 uM-Replicate_1Activity at 0.013 uM-Replicate_1Activity at 0.030 uM-Replicate_1Activity at 0.068 uM-Replicate_1Activity at 0.153 uM-Replicate_1Activity at 0.349 uM-Replicate_1Activity at 1.067 uM-Replicate_1Activity at 3.267 uM-Replicate_1Activity at 8.386 uM-Replicate_1Activity at 18.95 uM-Replicate_1Activity at 42.46 uM-Replicate_1Activity at 92.41 uM-Replicate_1Activity at 240.3 uM-Replicate_1Activity at 872.4 uM-Replicate_1Activity at 1849.0 uM-Replicate_1Activity at 4135.0 uM-Replicate_1Activity at 9246.0 uM-Replicate_1Activity at 20670.0 uM-Replicate_1Activity at 46230.0 uM-Replicate_1Compound QC-Replicate_1Phenotype-Replicate_2Potency-Replicate_2Efficacy-Replicate_2Analysis Comment-Replicate_2Activity_Score-Replicate_2Curve_Description-Replicate_2Fit_LogAC50-Replicate_2Fit_HillSlope-Replicate_2Fit_R2-Replicate_2
Activator0.769618.541110Partial curve; partial efficacy; poor fit-6.11370.40.4771201.45892.40 0 0 0 0 0 0 0 0 0 1 1 1 1 18.43542.60297.16556.98426.77576.23584.39893.727414.10836.104412.34916.28710.24048.4354QC'd by SIGMAInactive0-7.46371.10.4107
Activator0.001518.544Complete curve; partial efficacy-8.81374.95490.845716.5-21.20 0 0 0 0 0 0 0 0 0 0 1 0 1 112.76338.520316.029918.960814.610214.569714.66815.484519.340417.405215.435716.74874.776812.7633QC'd by AcrosInactive0
Inactive040 0 0 0 0 0 0 0 0 0 0 0 0 0 0-11.4538.53828.60629.13179.549110.755911.43756.467911.275510.13049.21297.3275-0.1191-11.453QC'd by SIGMAInactive0-4.36422.40640.8668
Inactive000417.43489.84064.73143.893717.43064.73392.71741.799421.142216.61518.79213.32233.134217.4348QC'd by Sigma DiscoveryCPRInactive0
Inactive000417.41599.11946.7603-2.39424.5125-5.07691.71712.688120.52570.113721.134-0.09350.75717.4159QC'd by EnamineInactive0-4.46372.35310.6137
Inactive0-8.51372.40640.34146.5-2.869340 0 0 0 0 0 0 0 0 0 0 0 0 0 09.2286-0.79294.86514.6489.82256.79684.62743.882111.065210.47076.49230.8715-0.7419.2286QC'd by SIGMAInactive0
Inhibitor3.063824.51160Complete curve; partial efficacy; poor fit-5.51374.95490.4049-18.61465.897-1.40 0 0 1 1 0 0 0 0 0 0 0 0 0 0-11.6821-3.038721.1044-20.78423.7169-18.207310.98469.041514.7886-15.2892-21.1562-17.0848-22.0042-11.6821QC'd by SIGMAInactive0
Activator0.001935.242610Complete curve; partial efficacy; poor fit-8.71424.95490.546629.4733-5.76921.40 0 0 0 0 0 0 0 0 0 0 1 1 1 1-35.059810.398831.296228.151536.89384.846829.689133.269131.780835.498622.02484.7913-29.1164-35.0598QC'd by SIGMAInactive0-4.31423.51170.6226
Inactive0004-0.31614.47693.98640.77972.2321.48744.16990.43690.07470.80680.3965-3.2133-3.9851-0.3161QC'd by SIGMAInactive0-4.71374.95490.3304
Inhibitor54.482733.50530Partial curve; high efficacy-4.26373.92950.9608-34.0053-0.5-2.10 0 0 0 0 0 0 0 0 0 0 0 0 0 0-30.00440.50840.4104-0.8948-3.2842-0.42840.0932-3.308-1.82040.56451.2561.479-9.8714-30.0044QC'd by Sigma DiscoveryCPRInhibitor68.589649.00410Single point of activity-4.16374.50450.9035
Inactive0-6.31374.95490.40220.5-2.854340 0 0 0 0 0 0 0 0 0 0 0 0 0 1-2.9062-1.42020.2852-3.8028-4.0452-3.8452-3.7145-3.80550.63741.33431.7137-3.28390.5803-2.9062QC'd by MP BiomedicalsInactive0
Inhibitor61.130658.88120Partial curve; high efficacy-4.21373.19250.9781-59.7265-0.8453-2.10 0 0 0 0 0 0 0 0 0 0 0 0 0 0-47.5201-0.605-1.4306-2.7189-0.8465-0.0963-1.1087-1.55290.5068-0.225-0.0391-7.585-12.7325-47.5201QC'd by SIGMAInhibitor61.130669.99940Partial curve; partial efficacy-4.21373.990.9846
Inhibitor48.508455.41370Partial curve; high efficacy-4.31423.06540.992-53.97671.437-2.10 0 0 0 0 0 0 0 0 0 0 0 0 0 0-46.95211.59250.5164-0.94190.64010.73652.10781.92572.71730.23973.6782-1.5898-20.1662-46.9521QC'd by SIGMAInhibitor54.427380.68770Partial curve; high efficacy-4.26422.47290.9773
Inactive00041.1920.359-0.3975-0.251.0086-0.1111.15210.61861.1885-1.45780.6853-0.92120.6021.192QC'd by SIGMAInactive0
Inactive00040.2182-3.0991-1.93151.3572-2.42631.55190.1835-0.68480.605-0.3437-2.1085-0.74640.05991.72430.2182QC'd by LightBiologicalsInactive0
Activator68.589630.210110Single point of activity-4.16373.24750.923330-0.210130 0 0 0 0 0 0 0 0 0 0 0 0 0 021.8495-0.3001-1.0271-2.0701-0.01770.97450.4274-1.8475-0.9875-0.00953.49112.8063.96521.8495QC'd by SIGMAInactive0-4.46371.92820.7837
Activator17.228923.958720Partial curve; partial efficacy-4.76370.60.7544240.04132.20 0 0 0 0 0 0 0 0 0 0 0 0 0 1-1.99880.30040.8704-1.63220.2766.3859-0.80141.77834.025210.31816.43328.494618.8419-1.9988QC'd by LightBiologicalsActivator24.336535.974310Single point of activity-4.61374.0950.8673
Inactive00040.8624-0.4215-2.3373-2.43560.2408-1.76690.8666-1.7395-2.0022-1.4521-1.4395-0.981-0.53890.8624QC'd by LightBiologicalsInactive0-4.51374.95490.8869
Inactive0-4.11374.95490.654990.039740 0 0 0 0 0 0 0 0 0 0 0 0 0 06.5998-0.8326-1.8287-1.08391.30271.03891.22330.81780.8549-1.37240.03750.73910.19056.5998QC'd by SIGMAInactive0-4.56374.95490.8448
Inactive0-4.56374.50450.4774.5-1.13740 0 0 0 0 0 0 0 0 0 0 0 0 0 1-3.7168-1.8447-2.9517-3.0308-1.8846-0.48982.2361-1.7012-0.2024-2.7129-0.6292-0.32113.7485-3.7168QC'd by SIGMAInactive0-4.11374.95490.7344
HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16
来源：ChEMBL 靶标：Escherichia coli
External ID: CHEMBL1217998
Protocol: N/A
Comment: Journal: Antimicrob Agents Chemother
Year: 2010
Volume: 54
Issue: 1
First Page: 164
Last Page: 169
DOI: 10.1128/aac.00310-09

Target ChEMBL ID: CHEMBL354
ChEMBL Target Name: Escherichia coli
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular
Standard TypeStandard RelationStandard ValueStandard Units
MIC=4ug.mL-1
MIC=0.5ug.mL-1
MIC=8ug.mL-1
MIC=4ug.mL-1
MIC=4ug.mL-1
MIC=2ug.mL-1
MIC=0.25ug.mL-1
MIC=1ug.mL-1
MIC=0.125ug.mL-1
MIC=0.03ug.mL-1
MIC=4ug.mL-1
MIC=0.125ug.mL-1
MIC=2ug.mL-1
HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16
来源：NCGC 靶标：N/A
External ID: ZIK159
Protocol: Assay Protocol Summary:

The medium for SNB-19 cells is composed of RPMI 1640 (ATCC, Cat.# 30-2001), 10% fetal bovine serum (FBS) (GE healthcare Life Sciences, Cat.# SH30071.03), and 1% Pen/Strep (Gibco, Cat.# 15140-122). A Caspase-Glo 3/7 assay kit (catalog number G8092; Promega, Madison, WI) was used to detect caspase-3 activity induced by Zika virus infection in human cells. The reagent mixture was reconstituted as described in the protocol from the manufacturer. Polystyrene tissue culture treated and PDL coated white plates were obtained from Greiner Bio-One (Monroe, NC). Cells were seeded in 384- or 1536-well assay plates and cultured at 37 C with 5% CO2 for 16 to 20 hours. The typical cell seeding density in the 1536-well plate assay is 250 cells/well in 3ul medium for SNB-19 cells in tissue culture treated plates. Compounds were added to cells and incubated for one hour before addition of ZIKV solution to cells (2 FFU/cell). After incubation at 37 C with 5% CO2 for 6 hours, the reagent mixture of Caspase-Glo 3/7 assay kit was added to each well, followed by incubation at room temperature for 30 minutes. The luminescence intensity of the assay plates was measured using a ViewLux plate reader (PerkinElmer). Data were normalized by using the cell-containing wells without ZIKV as a negative control (0% induction of caspase 3/7 activity) and wells containing ZIKV infected cells (Caspase-3 activity induced) as a positive control (100% induction of caspase 3 activity). The percentage inhibitions of the increased Caspase-3 activity by small molecule inhibitors were then calculated.
Comment: Compound Ranking:

1. Compounds are first classified as having full titration curves, partial modulation, partial curve (weaker actives), single point activity (at highest concentration only), or inactive. See data field "Curve Description". For this assay, apparent inhibitors are ranked higher than compounds that showed apparent activation.
2. For all inactive compounds, PUBCHEM_ACTIVITY_SCORE is 0. For all active compounds, a score range was given for each curve class type given above. Active compounds have PUBCHEM_ACTIVITY_SCORE between 40 and 100. Inconclusive compounds have PUBCHEM_ACTIVITY_SCORE between 1 and 39. Fit_LogAC50 was used for determining relative score and was scaled to each curve class' score range.
PhenotypePotencyEfficacyAnalysis CommentActivity_ScoreCurve_DescriptionFit_LogAC50Fit_HillSlopeFit_R2Fit_InfiniteActivityFit_ZeroActivityFit_CurveClassExcluded_PointsMax_ResponseActivity at 0.0000311982 uMActivity at 0.0000854986 uMActivity at 0.0001529332 uMActivity at 0.0003637214 uMActivity at 0.0006049985 uMActivity at 0.0007847206 uMActivity at 0.00233 uMActivity at 0.00410 uMActivity at 0.00702 uMActivity at 0.012 uMActivity at 0.021 uMActivity at 0.043 uMActivity at 0.064 uMActivity at 0.189 uMActivity at 0.345 uMActivity at 0.568 uMActivity at 0.973 uMActivity at 1.726 uMActivity at 4.529 uMActivity at 9.061 uMActivity at 15.16 uMActivity at 20.54 uMActivity at 45.68 uMActivity at 92.75 uMActivity at 177.7 uMActivity at 231.2 uMCompound QC
Inactive0-6.57924.95490.3504-2.229914.585140 0 0 0 0 0 0 0 0 0 0-5.356915.474625.14691.32891.457930.092112.8619-9.5062-12.2483-4.443920.4415-5.3569QC'd by BIOMOL
Inactive00040.140559.29224.527917.63713.780410.6882-1.5038-3.37094.203930.3994-1.99860.1405QC'd by BIOMOL
Inactive0-8.32924.95490.7822-3.268722.540 0 0 0 0 0 0 0 0 0 0-5.221915.927728.3896-3.44590.9788-0.6642-4.0601-8.14096.6432-8.9739-5.0251-5.2219QC'd by BIOMOL
Inactive0-7.17923.06540.4254932.145740 0 0 0 0 0 0 0 0 0 135.30295.277541.434433.152350.303620.24367.33299.210316.67199.450714.423135.3029QC'd by BIOMOL
Inactive0-8.37924.95490.35830.9315.540 0 0 0 0 0 0 0 0 0 119.319111.410119.1762-0.614-5.8917-0.005821.4835-3.85571.8137-0.8127-2.822419.3191QC'd by BIOMOL
Activator26.3506106.31810Single point of activity-4.57924.95490.950195.6321-10.685930 0 0 0 0 0 0 0 0 0 089.5669-8.1996-4.634-16.5004-16.3027-20.3551-20.1104-2.4639-1.956-4.3704-4.164789.5669QC'd by BIOMOL
Inactive0-9.02924.95490.39864-15.151240 0 0 0 0 0 0 0 0 0 011.3272-9.70937.84233.37613.399312.5003-0.1871-0.4744-2.70083.131-0.583111.3272QC'd by BIOMOL
Inactive0-4.47920.80.6034-34.4978-440 0 0 0 0 0 0 0 0 0 0-27.0815-0.6401-2.5148-2.2817-11.00811.0964-8.2348-11.6629-9.9639-6.098-9.2602-27.0815QC'd by BIOMOL
Inactive0004-0.534621.15938.357233.008610.588322.210240.91430.450915.303915.248315.763-0.5346QC'd by BIOMOL
Inactive0-7.37924.95490.72140.194224.863440 0 0 0 0 0 0 0 0 0 04.066615.530928.052423.038933.3812-2.1843-9.34578.111511.7564-7.393-1.86714.0666QC'd by BIOMOL
Inactive0004-29.782-16.4018-13.9219-14.5268-17.1479-18.872416.6048-0.8381-12.8788-19.3078-27.9636-29.782QC'd by BIOMOL
Inactive0004-9.6121-3.3856-4.2081-0.1463-6.8307-5.50433.9502-1.1496-1.2765-3.5332-1.7407-9.6121QC'd by BIOMOL
Activator0.331733.60330Complete curve; partial efficacy; poor fit-6.47920.70.714330.0135-3.58981.40 0 0 0 0 0 0 0 0 0 022.2786-3.1933-2.4551-4.04170.021512.07325.324119.20397.398643.355928.542722.2786QC'd by BIOMOL
Inactive0004-9.58580.041-18.54712.7931-0.1637-0.4717-3.0273-11.8154-12.2288-9.8437-6.1918-9.5858QC'd by BIOMOL
Inactive00043.544242.3006-2.999222.3937.6161-4.116332.17070.342-5.177242.8575-0.91733.5442QC'd by BIOMOL
Inactive0-6.37924.95490.3244-0.6421040 0 0 1 0 0 0 0 0 0 15.11119.82912.00793.113638.3079-0.532125.7035-1.3518-3.035-0.42124.22735.1111QC'd by BIOMOL
Inactive0-6.87924.95490.39070.6238.540 0 0 0 0 0 0 0 0 0 17.33186.6121-0.51588.08089.177318.9883-0.89744.13632.4077-2.3975-0.54117.3318QC'd by BIOMOL
Inactive0-7.62922.25260.46726-9.673540 0 0 0 0 0 0 0 0 0 04.0434-5.2371-12.2279-11.2597-1.22923.2718-0.865126.0229-0.0171-0.60298.95184.0434QC'd by BIOMOL
Inactive0004-0.5003-6.954428.7797-7.1636-6.6411.8449-16.4193-9.0529-12.5437-4.3363-10.7171-0.5003QC'd by BIOMOL
Inactive00049.9428-15.654318.1375-12.36-2.562816.0422-19.5863-8.3403-1.4148-7.26780.13079.9428QC'd by BIOMOL

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