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910-86-1 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:ChEMBL 靶标:Mycobacterium tuberculosis variant bovis
External ID: CHEMBL745314
Protocol: N/A
Comment: Journal: J Med Chem
Year: 2004
Volume: 47
Issue: 4
First Page: 1008
Last Page: 1017
DOI: 10.1021/jm0303453

Target ChEMBL ID: CHEMBL613086
ChEMBL Target Name: Mycobacterium tuberculosis variant bovis
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<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:Staphylococcus aureus
External ID: CHEMBL1819925
Protocol: N/A
Comment: Journal: Bioorg. Med. Chem.
Year: 2011
Volume: 19
Issue: 18
First Page: 5585
Last Page: 5595
DOI: 10.1016/j.bmc.2011.07.034

Target ChEMBL ID: CHEMBL352
ChEMBL Target Name: Staphylococcus aureus
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>200ug.mL-1
MIC>200ug.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:Mycobacterium avium
External ID: CHEMBL987021
Protocol: N/A
Comment: Journal: Eur. J. Med. Chem.
Year: 2008
Volume: 43
Issue: 2
First Page: 381
Last Page: 392
DOI: 10.1016/j.ejmech.2007.04.010

Target ChEMBL ID: CHEMBL614982
ChEMBL Target Name: Mycobacterium avium
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=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:Bacillus anthracis
External ID: CHEMBL1819924
Protocol: N/A
Comment: Journal: Bioorg. Med. Chem.
Year: 2011
Volume: 19
Issue: 18
First Page: 5585
Last Page: 5595
DOI: 10.1016/j.bmc.2011.07.034

Target ChEMBL ID: CHEMBL613904
ChEMBL Target Name: Bacillus anthracis
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>200ug.mL-1
MIC>200ug.mL-1
MIC>200ug.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:Mycobacterium tuberculosis
External ID: CHEMBL987020
Protocol: N/A
Comment: Journal: Eur J Med Chem
Year: 2008
Volume: 43
Issue: 2
First Page: 381
Last Page: 392
DOI: 10.1016/j.ejmech.2007.04.010

Target ChEMBL ID: CHEMBL360
ChEMBL Target Name: Mycobacterium tuberculosis
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=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:Escherichia coli
External ID: CHEMBL1819927
Protocol: N/A
Comment: Journal: Bioorg Med Chem
Year: 2011
Volume: 19
Issue: 18
First Page: 5585
Last Page: 5595
DOI: 10.1016/j.bmc.2011.07.034

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>200ug.mL-1
MIC>200ug.mL-1
MIC>200ug.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: CHEMBL1819926
Protocol: N/A
Comment: Journal: Bioorg. Med. Chem.
Year: 2011
Volume: 19
Issue: 18
First Page: 5585
Last Page: 5595
DOI: 10.1016/j.bmc.2011.07.034

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>200ug.mL-1
MIC>200ug.mL-1
MIC>200ug.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:Mycobacterium tuberculosis
External ID: CHEMBL914572
Protocol: N/A
Comment: Journal: Antimicrob Agents Chemother
Year: 2007
Volume: 51
Issue: 3
First Page: 1055
Last Page: 1063
DOI: 10.1128/aac.01063-06

Target ChEMBL ID: CHEMBL360
ChEMBL Target Name: Mycobacterium tuberculosis
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=1ug.mL-1
MIC=5ug.mL-1
MIC=2.5ug.mL-1
MIC=2.5ug.mL-1
MIC=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:Mycobacterium tuberculosis
External ID: CHEMBL909164
Protocol: N/A
Comment: Journal: Bioorg. Med. Chem. Lett.
Year: 2006
Volume: 16
Issue: 18
First Page: 4743
Last Page: 4747
DOI: 10.1016/j.bmcl.2006.06.095

Target ChEMBL ID: CHEMBL360
ChEMBL Target Name: Mycobacterium tuberculosis
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 UnitsActivity Comment
MIC99=2ug ml-1
MIC99Not Determined
MIC99Not Determined
MIC99Not Determined
HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16
来源:ChEMBL 靶标:Mycolicibacterium aurum
External ID: CHEMBL987022
Protocol: N/A
Comment: Journal: Eur J Med Chem
Year: 2008
Volume: 43
Issue: 2
First Page: 381
Last Page: 392
DOI: 10.1016/j.ejmech.2007.04.010

Target ChEMBL ID: CHEMBL612952
ChEMBL Target Name: Mycolicibacterium aurum
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=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:Klebsiella pneumoniae
External ID: CHEMBL1819929
Protocol: N/A
Comment: Journal: Bioorg. Med. Chem.
Year: 2011
Volume: 19
Issue: 18
First Page: 5585
Last Page: 5595
DOI: 10.1016/j.bmc.2011.07.034

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>200ug.mL-1
MIC>200ug.mL-1
MIC>200ug.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:Pseudomonas aeruginosa
External ID: CHEMBL1819928
Protocol: N/A
Comment: Journal: Bioorg. Med. Chem.
Year: 2011
Volume: 19
Issue: 18
First Page: 5585
Last Page: 5595
DOI: 10.1016/j.bmc.2011.07.034

Target ChEMBL ID: CHEMBL348
ChEMBL Target Name: Pseudomonas aeruginosa
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>200ug.mL-1
MIC>200ug.mL-1
MIC>200ug.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:N/A
External ID: CHEMBL1819931
Protocol: N/A
Comment: Journal: Bioorg. Med. Chem.
Year: 2011
Volume: 19
Issue: 18
First Page: 5585
Last Page: 5595
DOI: 10.1016/j.bmc.2011.07.034
Standard TypeStandard RelationStandard Value
Selectivity Index>16.5
Selectivity Index>16.5
Selectivity Index>16.5
Selectivity Index>16.5
Selectivity Index>16.5
HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16
来源:ChEMBL 靶标:Mycobacterium tuberculosis
External ID: CHEMBL987019
Protocol: N/A
Comment: Journal: Eur. J. Med. Chem.
Year: 2008
Volume: 43
Issue: 2
First Page: 381
Last Page: 392
DOI: 10.1016/j.ejmech.2007.04.010

Target ChEMBL ID: CHEMBL360
ChEMBL Target Name: Mycobacterium tuberculosis
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=2.5ug.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:Mycolicibacterium smegmatis
External ID: CHEMBL1819930
Protocol: N/A
Comment: Journal: Bioorg Med Chem
Year: 2011
Volume: 19
Issue: 18
First Page: 5585
Last Page: 5595
DOI: 10.1016/j.bmc.2011.07.034

Target ChEMBL ID: CHEMBL613088
ChEMBL Target Name: Mycolicibacterium smegmatis
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>200ug.mL-1
MIC>200ug.mL-1
MIC>100ug.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:Mycobacterium tuberculosis
External ID: CHEMBL914577
Protocol: N/A
Comment: Journal: Antimicrob Agents Chemother
Year: 2007
Volume: 51
Issue: 3
First Page: 1055
Last Page: 1063
DOI: 10.1128/aac.01063-06

Target ChEMBL ID: CHEMBL360
ChEMBL Target Name: Mycobacterium tuberculosis
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular
Standard TypeActivity Comment
ActivityActive
HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16
来源:ChEMBL 靶标:Mycobacterium tuberculosis variant bovis BCG
External ID: CHEMBL914578
Protocol: N/A
Comment: Journal: Antimicrob Agents Chemother
Year: 2007
Volume: 51
Issue: 3
First Page: 1055
Last Page: 1063
DOI: 10.1128/aac.01063-06

Target ChEMBL ID: CHEMBL615052
ChEMBL Target Name: Mycobacterium tuberculosis variant bovis BCG
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=0.25ug.mL-1
MIC=2ug.mL-1
MIC=0.5ug.mL-1
MIC=0.25ug.mL-1
MIC=10ug.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: CHEMBL914579
Protocol: N/A
Comment: Journal: Antimicrob. Agents Chemother.
Year: 2007
Volume: 51
Issue: 3
First Page: 1055
Last Page: 1063
DOI: 10.1128/aac.01063-06

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=0.25ug.mL-1
MIC=10ug.mL-1
MIC=2.5ug.mL-1
MIC=0.5ug.mL-1
MIC=75ug.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: CHEMBL914580
Protocol: N/A
Comment: Journal: Antimicrob. Agents Chemother.
Year: 2007
Volume: 51
Issue: 3
First Page: 1055
Last Page: 1063
DOI: 10.1128/aac.01063-06

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=0.1ug.mL-1
MIC=0.25ug.mL-1
MIC=0.25ug.mL-1
MIC=0.25ug.mL-1
MIC=10ug.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:Mycobacterium tuberculosis
External ID: CHEMBL914573
Protocol: N/A
Comment: Journal: Antimicrob Agents Chemother
Year: 2007
Volume: 51
Issue: 3
First Page: 1055
Last Page: 1063
DOI: 10.1128/aac.01063-06

Target ChEMBL ID: CHEMBL360
ChEMBL Target Name: Mycobacterium tuberculosis
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=0.5ug.mL-1
MIC=0.5ug.mL-1
MIC=0.25ug.mL-1
MIC=0.25ug.mL-1
MIC=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:Mycobacterium tuberculosis
External ID: CHEMBL909165
Protocol: N/A
Comment: Journal: Bioorg Med Chem Lett
Year: 2006
Volume: 16
Issue: 18
First Page: 4743
Last Page: 4747
DOI: 10.1016/j.bmcl.2006.06.095

Target ChEMBL ID: CHEMBL360
ChEMBL Target Name: Mycobacterium tuberculosis
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
MIC99=1.1ug ml-1
MIC99=0.5ug ml-1
MIC99=0.075ug ml-1
MIC99=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:Mycobacterium tuberculosis
External ID: CHEMBL909166
Protocol: N/A
Comment: Journal: Bioorg Med Chem Lett
Year: 2006
Volume: 16
Issue: 18
First Page: 4743
Last Page: 4747
DOI: 10.1016/j.bmcl.2006.06.095

Target ChEMBL ID: CHEMBL360
ChEMBL Target Name: Mycobacterium tuberculosis
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 UnitsActivity Comment
Inhibition=61.02%
Inhibition=94.25%
InhibitionNot Active
Inhibition=53.32%
HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16
来源:ChEMBL 靶标:Mycobacterium tuberculosis
External ID: CHEMBL914575
Protocol: N/A
Comment: Journal: Antimicrob Agents Chemother
Year: 2007
Volume: 51
Issue: 3
First Page: 1055
Last Page: 1063
DOI: 10.1128/aac.01063-06

Target ChEMBL ID: CHEMBL360
ChEMBL Target Name: Mycobacterium tuberculosis
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular
Standard TypeActivity Comment
ActivityActive
ActivityActive
HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16
来源:ChEMBL 靶标:Vero
External ID: CHEMBL909167
Protocol: N/A
Comment: Journal: Bioorg. Med. Chem. Lett.
Year: 2006
Volume: 16
Issue: 18
First Page: 4743
Last Page: 4747
DOI: 10.1016/j.bmcl.2006.06.095

Target ChEMBL ID: CHEMBL391
ChEMBL Target Name: Vero
ChEMBL Target Type: CELL-LINE - Target is a specific cell-line
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular
Standard TypeStandard RelationStandard ValueActivity Comment
Selectivity index=82
Selectivity indexNot Determined
Selectivity indexNot Determined
Selectivity indexNot Determined
HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16
来源:ICCB-Longwood/NSRB Screening Facility, Harvard Medical School 靶标:N/A
External ID: HMS1482
Protocol: Prior to screening, cells were passaged in high glucose DMEM supplemented with 10% FBS, 1% P/S, 1 mM pyruvate, and HEPES. Media was changed every 1-2 days to prevent starvation and maintain cellular health.

On the day of screening, 384-well plates (Corning 3765) were filled with 30 uL of control cybrid cell suspension (33.3 cells/ul). Media for resuspension was DMEM supplemented with 10% FBS, 1% P/S, 1 mM pyruvate, and HEPES. Positive control columns were 23 and 24 for most plate setups. Initially, tunicamycin (15 nM) and galactose media (10 mM + 1 mM glucosamine) were used in columns 23 and 24, respectively. Over the course of the screen, galactose was substituted with Vidofludimus (11 uM). Next, 33 nL of each compound were pin-transferred to each plate in duplicate. Final assay well volume was 30 uL. Plates were stacked 2 high, covered with lids, and incubated at 37 degrees C for 2 days.

After 2 days of incubation, Hoescht (10 ul/well) was added to assay plates and fluorescence was read using the Acumen laser scanning cytometer. After, the bottom of plates were sealed with two layers of Brightmax Sealing Films. Then Promega NanoGlo Live cell reagent (20 ul/well) was added to each well and luminescence was read on a PerkinElmer EnVision plate reader after 5 minute of shaking.
Comment: Data analysis method and criteria for scoring active compounds:

Normalized luminescence values (luminescence / cell number) for each replicate were calculated (based on average of 2 luminescence reads per replicate). Z-scores were calculated using the plate average and standard deviation of experimental well normalized values. Each plate replicate was individually analyzed to measure reproducibility across plates. Z-scores were then averaged across replicates and a Z-score threshold of 1.96 was selected for positive hits, indicating increased mitochondrial supercomplex formation. Wells were excluded from further consideration based on low cell number (1 or both replicates with number of objects count < 1500). Activity scores were determined by scaling Z-scores from 0 (activity score = 0) to 4 (activity score = 100), with activity score > 50 being considered active. Z-scores < 0 were set to activity score = 0; Z-scores > 4 were set to activity score = 100 (100% activity).
Luminescence_R1_ALuminescence_R2_AHoechst_NumObjects_ALuminescence_R1_BLuminescence_R2_BHoechst_NumObjects_BAvgLumin_ARatio_AAvgLumin_BRatio_BHoescht_AvgRatio_Z scoreCommentMolar Concentration
3005832966014427396274381039475429859267.447938865681.75364590.5-0.5094812 mM
3063983015303313363462354883342330396491.7489359172104.92933680.28240710 mM
3229973242934706384126370237418532364568.772837718290.1274445.5-0.3493792 mM
2814872771794410298737291541441927933363.340829513966.78864414.5-0.82501210 mM
3319403273095409320983313490473232962460.9431723667.04075070.5-0.8614472 mM
101988101433913127273124739927101710111.403126006135.929cell number censor10 mM
12229312250110001354451298281047122397122.397132636126.682cell number censor2 mM
31668831269918422981712925611315314694170.843295366224.613cell number censor10 mM
2586182572734710308202299107470525794654.765530365464.53874707.5-1.006962 mM
7032470701868774087427981170512.581.235675843.593.5185cell number censor10 mM
735767286684281944781318307322186.960880037.596.4307cell number censor2 mM
138603137684180161874155778147138144767.4641588261080.45cell number censor10 mM
3688123655174887445802425830475136716475.130943581691.73144819-0.2155272 mM
3598523457175201364558356321414235278467.830136044087.02064671.5-0.416410 mM
3539193476365169378702373151513035077867.861837592673.285149.5-0.6418412 mM
2634832564394783312776297786467925996154.35130528165.24494731-1.0023510 mM
6959871606920864718552210267060276.741385996.583.8173cell number censor2 mM
3588413473594602354858348321495635310076.727535159070.94224779-0.530435400 uM
3545733465325377378990366658522935055265.194837282471.29935303-0.71949480 uM
3160983101214700323640306279439731311066.61931496071.63054548.5-0.689973400 uM
HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16
来源:ChEMBL 靶标:Mycobacterium tuberculosis
External ID: CHEMBL914576
Protocol: N/A
Comment: Journal: Antimicrob Agents Chemother
Year: 2007
Volume: 51
Issue: 3
First Page: 1055
Last Page: 1063
DOI: 10.1128/aac.01063-06

Target ChEMBL ID: CHEMBL360
ChEMBL Target Name: Mycobacterium tuberculosis
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular
Standard TypeActivity Comment
ActivityActive
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:Mycobacterium tuberculosis
External ID: CHEMBL1002464
Protocol: N/A
Comment: Journal: Antimicrob Agents Chemother
Year: 2007
Volume: 51
Issue: 11
First Page: 3824
Last Page: 3829
DOI: 10.1128/aac.00433-07

Target ChEMBL ID: CHEMBL360
ChEMBL Target Name: Mycobacterium tuberculosis
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=2.5ug.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:Mycobacterium tuberculosis
External ID: CHEMBL1002463
Protocol: N/A
Comment: Journal: Antimicrob Agents Chemother
Year: 2007
Volume: 51
Issue: 11
First Page: 3824
Last Page: 3829
DOI: 10.1128/aac.00433-07

Target ChEMBL ID: CHEMBL360
ChEMBL Target Name: Mycobacterium tuberculosis
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=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:Mycobacterium tuberculosis
External ID: CHEMBL1003250
Protocol: N/A
Comment: Journal: Antimicrob Agents Chemother
Year: 2007
Volume: 51
Issue: 11
First Page: 3824
Last Page: 3829
DOI: 10.1128/aac.00433-07

Target ChEMBL ID: CHEMBL360
ChEMBL Target Name: Mycobacterium tuberculosis
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>40ug.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:N/A
External ID: CHEMBL1002465
Protocol: N/A
Comment: Journal: Antimicrob. Agents Chemother.
Year: 2007
Volume: 51
Issue: 11
First Page: 3824
Last Page: 3829
DOI: 10.1128/aac.00433-07
Standard TypeStandard RelationStandard ValueStandard Units
Activity=1.9%
HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16
来源:ChEMBL 靶标:Mycobacterium tuberculosis
External ID: CHEMBL1228037
Protocol: N/A
Comment: Journal: Bioorg Med Chem
Year: 2010
Volume: 18
Issue: 17
First Page: 6398
Last Page: 6403
DOI: 10.1016/j.bmc.2010.07.008

Target ChEMBL ID: CHEMBL360
ChEMBL Target Name: Mycobacterium tuberculosis
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
IC50>8ug.mL-1
IC50=4ug.mL-1
IC50=8ug.mL-1
IC50=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:N/A
External ID: CHEMBL914581
Protocol: N/A
Comment: Journal: Antimicrob Agents Chemother
Year: 2007
Volume: 51
Issue: 3
First Page: 1055
Last Page: 1063
DOI: 10.1128/aac.01063-06
Standard TypeStandard RelationStandard ValueStandard Units
Activity=7.56umol/min/mg
HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16
来源:ChEMBL 靶标:Mycobacterium tuberculosis
External ID: CHEMBL1005769
Protocol: N/A
Comment: Journal: Antimicrob. Agents Chemother.
Year: 2007
Volume: 51
Issue: 11
First Page: 3824
Last Page: 3829
DOI: 10.1128/aac.00433-07

Target ChEMBL ID: CHEMBL360
ChEMBL Target Name: Mycobacterium tuberculosis
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular
Standard TypeActivity Comment
MICNot Determined
HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16
来源:ChEMBL 靶标:Mycobacterium tuberculosis
External ID: CHEMBL1005768
Protocol: N/A
Comment: Journal: Antimicrob. Agents Chemother.
Year: 2007
Volume: 51
Issue: 11
First Page: 3824
Last Page: 3829
DOI: 10.1128/aac.00433-07

Target ChEMBL ID: CHEMBL360
ChEMBL Target Name: Mycobacterium tuberculosis
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=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:Mycobacterium tuberculosis
External ID: CHEMBL1005771
Protocol: N/A
Comment: Journal: Antimicrob. Agents Chemother.
Year: 2007
Volume: 51
Issue: 11
First Page: 3824
Last Page: 3829
DOI: 10.1128/aac.00433-07

Target ChEMBL ID: CHEMBL360
ChEMBL Target Name: Mycobacterium tuberculosis
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=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:Mycobacterium tuberculosis
External ID: CHEMBL1005770
Protocol: N/A
Comment: Journal: Antimicrob. Agents Chemother.
Year: 2007
Volume: 51
Issue: 11
First Page: 3824
Last Page: 3829
DOI: 10.1128/aac.00433-07

Target ChEMBL ID: CHEMBL360
ChEMBL Target Name: Mycobacterium tuberculosis
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>40ug.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:Mycobacterium tuberculosis
External ID: CHEMBL1004971
Protocol: N/A
Comment: Journal: Antimicrob. Agents Chemother.
Year: 2007
Volume: 51
Issue: 11
First Page: 3824
Last Page: 3829
DOI: 10.1128/aac.00433-07

Target ChEMBL ID: CHEMBL360
ChEMBL Target Name: Mycobacterium tuberculosis
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular
Standard TypeActivity Comment
MICNot Determined
HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16
来源:ChEMBL 靶标:Mycobacterium tuberculosis
External ID: CHEMBL1004970
Protocol: N/A
Comment: Journal: Antimicrob. Agents Chemother.
Year: 2007
Volume: 51
Issue: 11
First Page: 3824
Last Page: 3829
DOI: 10.1128/aac.00433-07

Target ChEMBL ID: CHEMBL360
ChEMBL Target Name: Mycobacterium tuberculosis
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=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:Mycobacterium tuberculosis
External ID: CHEMBL1005767
Protocol: N/A
Comment: Journal: Antimicrob. Agents Chemother.
Year: 2007
Volume: 51
Issue: 11
First Page: 3824
Last Page: 3829
DOI: 10.1128/aac.00433-07

Target ChEMBL ID: CHEMBL360
ChEMBL Target Name: Mycobacterium tuberculosis
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>40ug.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:Mycobacterium tuberculosis
External ID: CHEMBL1004972
Protocol: N/A
Comment: Journal: Antimicrob. Agents Chemother.
Year: 2007
Volume: 51
Issue: 11
First Page: 3824
Last Page: 3829
DOI: 10.1128/aac.00433-07

Target ChEMBL ID: CHEMBL360
ChEMBL Target Name: Mycobacterium tuberculosis
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular
Standard TypeActivity Comment
MICNot Determined
HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16
来源:ChEMBL 靶标:Mycobacterium tuberculosis
External ID: CHEMBL1005777
Protocol: N/A
Comment: Journal: Antimicrob Agents Chemother
Year: 2007
Volume: 51
Issue: 11
First Page: 3824
Last Page: 3829
DOI: 10.1128/aac.00433-07

Target ChEMBL ID: CHEMBL360
ChEMBL Target Name: Mycobacterium tuberculosis
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 Value
FC=2
HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16
来源:ChEMBL 靶标:Mycobacterium tuberculosis variant bovis
External ID: CHEMBL1005779
Protocol: N/A
Comment: Journal: Antimicrob Agents Chemother
Year: 2007
Volume: 51
Issue: 11
First Page: 3824
Last Page: 3829
DOI: 10.1128/aac.00433-07

Target ChEMBL ID: CHEMBL613086
ChEMBL Target Name: Mycobacterium tuberculosis variant bovis
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular
Standard TypeActivity Comment
ActivityActive
HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16
来源:ChEMBL 靶标:Mycobacterium tuberculosis
External ID: CHEMBL1005778
Protocol: N/A
Comment: Journal: Antimicrob Agents Chemother
Year: 2007
Volume: 51
Issue: 11
First Page: 3824
Last Page: 3829
DOI: 10.1128/aac.00433-07

Target ChEMBL ID: CHEMBL360
ChEMBL Target Name: Mycobacterium tuberculosis
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 Value
FC=8
HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16
来源:ChEMBL 靶标:Mycobacterium tuberculosis
External ID: CHEMBL1005772
Protocol: N/A
Comment: Journal: Antimicrob. Agents Chemother.
Year: 2007
Volume: 51
Issue: 11
First Page: 3824
Last Page: 3829
DOI: 10.1128/aac.00433-07

Target ChEMBL ID: CHEMBL360
ChEMBL Target Name: Mycobacterium tuberculosis
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular
Standard TypeActivity Comment
MICNot Determined
HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16
来源:15621 靶标:G protein-activated inward rectifier potassium channel 2
External ID: VANDERBILT_HTS_GIRK2_MPD
Protocol: To screen for modulators of the G protein-gated inwardly-rectifying potassium channel subunit 2 (GIRK2) homomeric channels, HEK293 cells were engineered to overexpress GIRK2. These cells were screened using a high-throughput thallium-flux assay in a 384-well format. High-throughput thallium flux assays are based on three principles: (1) extracellular thallium can permeate through potassium channels into cells, (2) the fluorescent dye Thallos enters and stays in the cytoplasm of HEK293 cells, and (3) the fluorescence of Thallos increases dramatically when it interacts with thallium ions. Compounds that modulate the activity of an overexpressed channel, in this case GIRK2, are identified by the change in fluorescence that results from changes in thallium influx into cells through the overexpressed channel.

The screening protocol was conducted as follows. One hour prior to screening, cells were loaded with 1.5 micromolar (muM) Thallos in assay buffer (1x Hank's Balanced Salt Solution and 20 millimolar (mM) HEPES). The liquid handling and imaging was conducted using a kinetic-imaging plate reader, Panoptic (WaveFront Biosciences). Before screening, Thallos-containing buffer was removed from cells and replaced with 20 microliters (muL) per well of assay buffer. Compounds were dissolved in assay buffer at 20 muM. After 8 seconds of imaging, 20 muL of compound solution was added per well and allowed to incubate for 150 seconds. Next, 10 muL of a solution containing 2.0 mM thallium in Base Buffer (125 mM NaHCO3, 1 mM MgSO4, 1.8 mM CaSO4, 5mM Glucose, and 20 mM HEPES) was added to the wells. 30 seconds later, 12 muL of base buffer containing 2.0 mM thallium and 50 mM 2-methyl-2,4-pentanediol (MPD), a partially-activating concentration, was added to each well. MPD has is a previously-described GIRK2 channel activator. Data was collected for 60 seconds after this final addition. The positive control for this screen was 30 muM ivermectin, a natural product previously identified as a GIRK2 activator as part of a small-scale pilot screen. Microsoft Excel was utilized for data analysis. Data were normalized, F/Fo, on a well-to-well basis to account for differences in cell number. Compound activity was analyzed by comparing the sums of control-subtracted amplitudes of fluorescence intensity at 20 seconds after each thallium addition. The top 0.2% compounds corresponding to wells that demonstrated the largest increases in fluorescence were selected as "hits" for counter screening, as described below.

All 63,228 compounds screened using the method described above are listed in column OUTCOME_SCREEN_HITS. The 133 compounds selected as hits based on the above criteria are labelled with "100" in the ACTIVITY column. Fluorescent compounds were included in the inactive compounds and marked with "0" in the ACTIVITY column.

The 133 active compounds from column OUTCOME_SCREEN_HITS were tested for non-specific activity in untransfected HEK293 cells using assay conditions otherwise identical to the primary screen. Column OUTCOME_HEK_COUNTERSCREEN lists the 23 compounds that displayed an increase in fluorescence upon thallium addition with "100" in the ACTIVITY column.

The 110 compounds which were identified as hits in the primary screen but inactive when tested in untransfected HEK293 cells were tested for activity in GIRK2-overexpressing HEK293 cells that did not express NPY4 receptor. Column OUTCOME_GIRK2_COUNTERSCREEN lists the 44 compound that displayed an increase in fluorescence upon thallium addition with "100" in the ACTIVITY column.

The 44 active compounds from column OUTCOME_GIRK2_COUNTERSCREEN were tested at various concentrations to determine if compound activity was concentration dependent. Column OUTCOME_GIRK2_DOSE_RESPONSE provides the efficacy of these compounds; activity of all compounds at the provided concentrations was normalized to the activity of VU0537695 at 25 muM, which was the highest efficacy observed during this screening. For each compound concentration listed, the efficacy of that compound provided refers to the normalized, control-subtracted fluorescence intensity at 15 seconds after the addition of thallium. The 28 compounds that demonstrated >5% efficacy and concentration-dependent activity were labelled as "100" in the ACTIVITY column.

Finally, column PUBCHEM_ACTIVITY_OUTCOME combines all of the information from the above counterscreens together, indicating the 28 hits from this GIRK2 screen.
Comment:
OUTCOME_SCREEN_HITSOUTCOME_HEK_COUNTERSCREENOUTCOME_GIRK2_COUNTERSCREENOUTCOME_GIRK2_DOSE_RESPONSE% Efficacy @ 25uM% Efficacy @ 8.3uM% Efficacy @ 2.8uM% Efficacy @ 0.94uM% Efficacy @ 0.15uM% Efficacy @ 0.024uM
INACTIVE
INACTIVE
INACTIVE
INACTIVE
INACTIVE
INACTIVE
INACTIVE
INACTIVE
INACTIVE
INACTIVE
INACTIVE
INACTIVE
INACTIVE
INACTIVE
INACTIVE
INACTIVE
INACTIVE
INACTIVE
INACTIVE
INACTIVE
HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16
来源:ChEMBL 靶标:N/A
External ID: CHEMBL1005785
Protocol: N/A
Comment: Journal: Antimicrob. Agents Chemother.
Year: 2007
Volume: 51
Issue: 11
First Page: 3824
Last Page: 3829
DOI: 10.1128/aac.00433-07
Standard TypeStandard RelationStandard ValueStandard Units
Activity=54.1%
HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16
来源:ChEMBL 靶标:N/A
External ID: CHEMBL1005784
Protocol: N/A
Comment: Journal: Antimicrob. Agents Chemother.
Year: 2007
Volume: 51
Issue: 11
First Page: 3824
Last Page: 3829
DOI: 10.1128/aac.00433-07
Standard TypeStandard RelationStandard ValueStandard Units
Activity=0.1%
HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16
来源:ChEMBL 靶标:N/A
External ID: CHEMBL1005787
Protocol: N/A
Comment: Journal: Antimicrob. Agents Chemother.
Year: 2007
Volume: 51
Issue: 11
First Page: 3824
Last Page: 3829
DOI: 10.1128/aac.00433-07
Standard TypeStandard RelationStandard ValueStandard Units
Activity=1%
HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16
来源:ChEMBL 靶标:N/A
External ID: CHEMBL1005786
Protocol: N/A
Comment: Journal: Antimicrob. Agents Chemother.
Year: 2007
Volume: 51
Issue: 11
First Page: 3824
Last Page: 3829
DOI: 10.1128/aac.00433-07
Standard TypeStandard RelationStandard ValueStandard Units
Activity=0.1%
HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Inhibitor_Dose_DryPowder_Activity_Set16
来源:ChEMBL 靶标:N/A
External ID: CHEMBL1005781
Protocol: N/A
Comment: Journal: Antimicrob. Agents Chemother.
Year: 2007
Volume: 51
Issue: 11
First Page: 3824
Last Page: 3829
DOI: 10.1128/aac.00433-07
Standard TypeStandard RelationStandard ValueStandard Units
Activity=4.4%