External ID: CHEMBL766814

Protocol: N/A

Comment: Compounds with activity <= 10uM or explicitly reported as active by ChEMBL are flagged as active in this PubChem assay presentation.

Journal: Bioorg Med Chem Lett
Year: 2003
Volume: 13
Issue: 16
First Page: 2773
Last Page: 2775
DOI: 10.1016/s0960-894x(03)00492-x

Target ChEMBL ID: CHEMBL240
ChEMBL Target Name: HERG
ChEMBL Target Type: SINGLE PROTEIN - Target is a single protein chain
Relationship Type: D - Direct protein target assigned
Confidence: Direct single protein target assigned

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.

External ID: CHEMBL995157

Protocol: N/A

Comment: Journal: J Med Chem
Year: 2008
Volume: 51
Issue: 16
First Page: 5140
Last Page: 5142
DOI: 10.1021/jm8005228

External ID: CHEMBL995158

Protocol: N/A

Comment: Journal: J Med Chem
Year: 2008
Volume: 51
Issue: 16
First Page: 5140
Last Page: 5142
DOI: 10.1021/jm8005228

External ID: CHEMBL646647

Protocol: N/A

Comment: Journal: J Med Chem
Year: 2000
Volume: 43
Issue: 13
First Page: 2575
Last Page: 2585
DOI: 10.1021/jm0000564

External ID: CHEMBL4828783

Protocol: N/A

Comment: Journal: J Nat Prod
Year: 2021
Volume: 84
Issue: 3.0
First Page: 750
Last Page: 761
DOI: 10.1021/acs.jnatprod.0c00946

Target ChEMBL ID: CHEMBL612408
ChEMBL Target Name: Salmon testes DNA
ChEMBL Target Type: NUCLEIC-ACID - Target is DNA, RNA or PNA
Relationship Type: M - Molecular target other than protein assigned
Confidence: Target assigned is molecular non-protein target

External ID: CHEMBL3292901

Protocol: N/A

Comment: Journal: ACS Med. Chem. Lett.
Year: 2014
Volume: 5
Issue: 5
First Page: 576
Last Page: 581
DOI: 10.1021/ml5000228

Target ChEMBL ID: CHEMBL364
ChEMBL Target Name: Plasmodium falciparum
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

External ID: CHEMBL3292900

Protocol: N/A

Comment: Journal: ACS Med. Chem. Lett.
Year: 2014
Volume: 5
Issue: 5
First Page: 576
Last Page: 581
DOI: 10.1021/ml5000228

Target ChEMBL ID: CHEMBL364
ChEMBL Target Name: Plasmodium falciparum
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

External ID: CHEMBL3292903

Protocol: N/A

Comment: Journal: ACS Med. Chem. Lett.
Year: 2014
Volume: 5
Issue: 5
First Page: 576
Last Page: 581
DOI: 10.1021/ml5000228

Target ChEMBL ID: CHEMBL1795182
ChEMBL Target Name: Chloroquine resistance transporter
ChEMBL Target Type: SINGLE PROTEIN - Target is a single protein chain
Relationship Type: D - Direct protein target assigned
Confidence: Direct single protein target assigned

External ID: CHEMBL3292902

Protocol: N/A

Comment: Journal: ACS Med. Chem. Lett.
Year: 2014
Volume: 5
Issue: 5
First Page: 576
Last Page: 581
DOI: 10.1021/ml5000228

Target ChEMBL ID: CHEMBL364
ChEMBL Target Name: Plasmodium falciparum
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

External ID: HMS1625

Protocol: The fix-reporter plasmid was conjugated into this strain which the stably integrates into the chromosome using the mini-Tn7 system (PMID: 15908923). This plasmid consists of the fixK promoter, which is a target of the fixLJ pathway driving expression of GFP.
The day before screen an overnight culture of B. multivorans strain VC7102, with fix reporter, is set up in tryptic soy broth (TSB) at 37 degrees C with shaking. The day of the screen the overnight culture is diluted 1:100 in fresh tryptic soy broth.
The day of the screen, 30 microL of tryptic soy broth (TSB) is pipetted into columns 1-22 of a 384-well plate (Corning 3764) using the Combi multidrop dispenser. To column 24, 30 microL of TSB containing 78 microM of Benserazide TSB is added for a positive control. To column 23, 30 microL of TSB containing with DMSO (0.078% v/v in TSB) is added for a negative control. 300 nL of each compound are pin-transferred to each plate. For every compound plate 2 replicate assay plates are set up. 30 microL of the 1:100 diluted-B. multivorans strain VC7102 is added to each well using the Combi. Initial OD600 and GFP are measured using the PerkinElmer EnVision. Plates are stacked 5 high, covered with lids and incubated at 37 degrees C overnight (~18 h).
The following day, assay plates are read using a PerkinElmer EnVision (600 nm filter and GFP).
Positive control: Benserazide 39 microM in column 24 (No positive control was used for plates 2089 & 2090; Plates 2091-2093: columns 1 & 24)
Negative control: DMSO 300 nL/well in column 23 (For plates 2089 & 2090 negative controls were located in columns 2 & 24; plates 2091-2093: columns 2 & 23)

Comment: Analysis method:
For each compound well, the initial GFP value was subtracted from overnight GFP value to calculate the deltaGFP. The mean and standard deviation of the negative control wells deltaGFP (column 23) on both replicate plates was calculated. Wells with replicate average deltaGFP at least 3 standard deviations above the plate negative control deltaGFP average were scored as potential positives.

To determine activity scores, Z-scores were calculated for each replicate separately based on the replicate negative control deltaGFP plate average and standard deviation. The replicate average deltaGFP Z-scores were used for activity scores, with activity score of 100 set to Z-score = 4 and activity score = 0 (no activity) set to Z-score = 0. Z-scores > 4 were considered activity score = 100, and Z-scores < 0 were considered activity score = 0.

External ID: CHEMBL3292905

Protocol: N/A

Comment: Journal: ACS Med. Chem. Lett.
Year: 2014
Volume: 5
Issue: 5
First Page: 576
Last Page: 581
DOI: 10.1021/ml5000228

Target ChEMBL ID: CHEMBL1795182
ChEMBL Target Name: Chloroquine resistance transporter
ChEMBL Target Type: SINGLE PROTEIN - Target is a single protein chain
Relationship Type: D - Direct protein target assigned
Confidence: Direct single protein target assigned

External ID: CHEMBL4828782

Protocol: N/A

Comment: Journal: J Nat Prod
Year: 2021
Volume: 84
Issue: 3.0
First Page: 750
Last Page: 761
DOI: 10.1021/acs.jnatprod.0c00946

External ID: CHEMBL3292904

Protocol: N/A

Comment: Journal: ACS Med. Chem. Lett.
Year: 2014
Volume: 5
Issue: 5
First Page: 576
Last Page: 581
DOI: 10.1021/ml5000228

Target ChEMBL ID: CHEMBL1795182
ChEMBL Target Name: Chloroquine resistance transporter
ChEMBL Target Type: SINGLE PROTEIN - Target is a single protein chain
Relationship Type: D - Direct protein target assigned
Confidence: Direct single protein target assigned

External ID: TargetID_659_CEMA

Protocol: Black, standard capacity streptavidin-coated 384-well plates (Pierce 15407) were first washed with 50 L of phosphate buffer (100 mM, pH 7.0; PB7) three times using a Biotek 405 ELX plate washer. Subsequently, 5 L of biotinylated pre-miRNA substrate (500 nM final) was dispensed into the plate using a Multidrop Combi Reagent Dispenser (Thermo Scientific). Plates were then centrifuged for 1 min at 1,000 RPM (223 g), sealed with plate tape, and incubated overnight at 4 C. The following morning, plates were washed three times with 50 L of PB7, followed by the addition of 5 L of Dicer digest buffer (20 mM Tris, 12 mM NaCl, 2.5 mM MgCl2, 1 mM fresh DTT, and 4.5% DMSO) and centrifugation. Compounds (50 nL of 5 mM DMSO stock, 25 M final) were then added into the sample wells using a Sciclone (Caliper) liquid handler with V&P pintool; the same volume of DMSO was added to the control wells. The plates were incubated at 25 C for 15 min before addition of 5 L of digest buffer containing 217 g/nL Dicer (108 g/mL Dicer, 5% glycerol and 0.01% Triton X-100 final, excess with respect to pre-miRNA). For the positive control wells, digest buffer without Dicer was added. The plates were centrifuged again and resealed before being placed in a 37 C incubator for 5 h. After Dicer cleavage, plates were washed three times with 50 L of PB7. mTet-HRP in PB7 (10 L, 750 nM final) was then dispensed into each well. The plates were subsequently centrifuged, sealed, and incubated at 25 C for 2 h. Plates were then washed three times with 50 L of wash buffer (2 mM imidazole, 260 mM NaCl, 0.5 mM EDTA, 0.1% Tween-20, pH 7.0), followed by washing three additional times with 50 L of PB7. Finally, SuperSignal West Pico (25 L; Pierce) was added, the plates were incubated at 25 C for 5 min, and chemiluminescence signal was detected using a PHERAstar plate reader using LUM plus module (BMG Labtech).

Comment: The activity outcome is based on a Z-score (number of standard deviations from the negative control mean) of 3 or higher on at least 50% times that the sample was screened.

For instance, if the sample was screened in n=4 runs, it would be considered active only if it had a Z-score of 3 or above in at least 2 runs.

External ID: CHEMBL2449009

Protocol: N/A

Comment: Journal: Pharm Res
Year: 2013
DOI: 10.1007/s11095-013-1232-z

External ID: CHEMBL4478999

Protocol: N/A

Comment: Journal: Bioorg Med Chem Lett
Year: 2016
Volume: 26
Issue: 16
First Page: 4003
Last Page: 4006
DOI: 10.1016/j.bmcl.2016.06.088

Target ChEMBL ID: CHEMBL3397
ChEMBL Target Name: Cytochrome P450 2C9
ChEMBL Target Type: SINGLE PROTEIN - Target is a single protein chain
Relationship Type: D - Direct protein target assigned
Confidence: Direct single protein target assigned

External ID: CHEMBL4479000

Protocol: N/A

Comment: Journal: Bioorg Med Chem Lett
Year: 2016
Volume: 26
Issue: 16
First Page: 4003
Last Page: 4006
DOI: 10.1016/j.bmcl.2016.06.088

Target ChEMBL ID: CHEMBL340
ChEMBL Target Name: Cytochrome P450 3A4
ChEMBL Target Type: SINGLE PROTEIN - Target is a single protein chain
Relationship Type: D - Direct protein target assigned
Confidence: Direct single protein target assigned

External ID: CHEMBL636394

Protocol: N/A

Comment: Journal: J Med Chem
Year: 2000
Volume: 43
Issue: 13
First Page: 2575
Last Page: 2585
DOI: 10.1021/jm0000564

External ID: CHEMBL781210

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 1985
Volume: 28
Issue: 12
First Page: 1925
Last Page: 1933
DOI: 10.1021/jm00150a028

External ID: CHEMBL781213

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 1985
Volume: 28
Issue: 12
First Page: 1925
Last Page: 1933
DOI: 10.1021/jm00150a028

External ID: SCA2002

Protocol: HEK293 cultured cells will be dosed with titrated compounds and incubated for 72 hr at 37 degrees C. Toxicity will be assessed using the CellTiter Glo kit (Promega), which uses intracellular ATP concentration as a viability marker.

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.

External ID: CHEMBL1614670

Protocol: N/A

Comment: Journal: Drug Metab Dispos
Year: 2008
Volume: 36
Issue: 7
First Page: 1385
Last Page: 1405
DOI: 10.1124/dmd.108.020479

External ID: CHEMBL1614671

Protocol: N/A

Comment: Journal: Drug Metab Dispos
Year: 2008
Volume: 36
Issue: 7
First Page: 1385
Last Page: 1405
DOI: 10.1124/dmd.108.020479

External ID: CHEMBL1614672

Protocol: N/A

Comment: Journal: Drug Metab Dispos
Year: 2008
Volume: 36
Issue: 7
First Page: 1385
Last Page: 1405
DOI: 10.1124/dmd.108.020479

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

External ID: CHEMBL1023024

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 2009
Volume: 52
Issue: 6
First Page: 1693
Last Page: 1700
DOI: 10.1021/jm801441s

External ID: CHEMBL693829

Protocol: N/A

Comment: Compounds with activity <= 10uM or explicitly reported as active by ChEMBL are flagged as active in this PubChem assay presentation.

Journal: J. Med. Chem.
Year: 1991
Volume: 34
Issue: 4
First Page: 1314
Last Page: 1328
DOI: 10.1021/jm00108a012

Target ChEMBL ID: CHEMBL3943
ChEMBL Target Name: Histamine H1 receptor
ChEMBL Target Type: SINGLE PROTEIN - Target is a single protein chain
Relationship Type: D - Direct protein target assigned
Confidence: Direct single protein target assigned

External ID: CHEMBL1614673

Protocol: N/A

Comment: Journal: Drug Metab Dispos
Year: 2008
Volume: 36
Issue: 7
First Page: 1385
Last Page: 1405
DOI: 10.1124/dmd.108.020479

External ID: CHEMBL1614674

Protocol: N/A

Comment: Journal: Drug Metab Dispos
Year: 2008
Volume: 36
Issue: 7
First Page: 1385
Last Page: 1405
DOI: 10.1124/dmd.108.020479

External ID: CHEMBL926551

Protocol: N/A

Comment: Journal: Bioorg Med Chem
Year: 2007
Volume: 15
Issue: 22
First Page: 6943
Last Page: 6955
DOI: 10.1016/j.bmc.2007.07.050

Target ChEMBL ID: CHEMBL613427
ChEMBL Target Name: Skin
ChEMBL Target Type: TISSUE - Target is a healthy or diseased tissue
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

External ID: CHEMBL1023027

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 2009
Volume: 52
Issue: 6
First Page: 1693
Last Page: 1700
DOI: 10.1021/jm801441s

External ID: CHEMBL686640

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 1991
Volume: 34
Issue: 4
First Page: 1314
Last Page: 1328
DOI: 10.1021/jm00108a012

Target ChEMBL ID: CHEMBL369
ChEMBL Target Name: Cavia porcellus
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

External ID: CHEMBL639853

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 2002
Volume: 45
Issue: 13
First Page: 2867
Last Page: 2876
DOI: 10.1021/jm0200409

External ID: CHEMBL639855

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 2002
Volume: 45
Issue: 13
First Page: 2867
Last Page: 2876
DOI: 10.1021/jm0200409

External ID: CHEMBL638828

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 2002
Volume: 45
Issue: 13
First Page: 2867
Last Page: 2876
DOI: 10.1021/jm0200409

External ID: CHEMBL4495582

Protocol: N/A

Comment: Target ChEMBL ID: CHEMBL4523582
ChEMBL Target Name: Replicase polyprotein 1ab
ChEMBL Target Type: SINGLE PROTEIN - Target is a single protein chain
Relationship Type: D - Direct protein target assigned
Confidence: Direct single protein target assigned

Data Source: SARS-CoV-2 Screening Data

External ID: SCA2001

Protocol: 4 ul of HEK293-ATXN2-FFLuc cell suspension (TBD cells/microL in phenol-red free DMEM) are dispensed into Greiner white solid bottom 1536-well assay plates, yielding a final well density of TBD cells/well. Plates are incubated for 2 hrs at 37 degrees C in 5% humidified CO2 to allow cell attachment. Compounds are then transferred via Kalypsys pin tool equipped with 1536-pin array (10nl slotted pins, V&P Scientific, San Diego, CA). In addition, duplicate serial dilutions of the control compounds ChemBridge 5553825, a previously identified ATXN2 expression inhibitor, and a known luciferase inhibitor, are pin-transferred. After incubation at 37 degrees C in 5% humidified CO2 for 24 hrs, CellTiter-Fluor reagent (1 ul) (Promega, Madison, WI) is then added and plates are incubated for 30 minutes, before being transferred to a ViewLux high-throughput CCD imager (PerkinElmer), wherein single end-point fluorescence measurements are acquired using the 405 nm excitation/525 nm emission filter set to assess cell viability. Next, Bright-Glo luciferase substrate detection reagent (3 ul) (Promega, Madison, WI) is added to each well and incubated for an additional 5 minutes. Luminescence is then measured on the ViewLux imager equipped with a clear emission filter using a 2 sec exposure.

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.

External ID: CHEMBL4029349

Protocol: N/A

Comment: Journal: Drug Discov Today
Year: 2016
Volume: 21
Issue: 4
First Page: 648
Last Page: 653
DOI: 10.1016/j.drudis.2016.02.015

Target ChEMBL ID: CHEMBL372
ChEMBL Target Name: Homo sapiens
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

External ID: CHEMBL4029350

Protocol: N/A

Comment: Journal: Drug Discov Today
Year: 2016
Volume: 21
Issue: 4
First Page: 648
Last Page: 653
DOI: 10.1016/j.drudis.2016.02.015

Target ChEMBL ID: CHEMBL372
ChEMBL Target Name: Homo sapiens
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

External ID: CHEMBL4479118

Protocol: N/A

Comment: Journal: Bioorg Med Chem Lett
Year: 2016
Volume: 26
Issue: 16
First Page: 4003
Last Page: 4006
DOI: 10.1016/j.bmcl.2016.06.088

Target ChEMBL ID: CHEMBL289
ChEMBL Target Name: Cytochrome P450 2D6
ChEMBL Target Type: SINGLE PROTEIN - Target is a single protein chain
Relationship Type: D - Direct protein target assigned
Confidence: Direct single protein target assigned

External ID: CHEMBL618310

Protocol: N/A

Comment: Journal: J Med Chem
Year: 2004
Volume: 47
Issue: 5
First Page: 1242
Last Page: 1250
DOI: 10.1021/jm030408h

External ID: CHEMBL1676103

Protocol: N/A

Comment: Compounds with activity <= 10uM or explicitly reported as active by ChEMBL are flagged as active in this PubChem assay presentation.

Journal: Eur J Med Chem
Year: 2011
Volume: 46
Issue: 2
First Page: 618
Last Page: 630
DOI: 10.1016/j.ejmech.2010.11.042

Target ChEMBL ID: CHEMBL240
ChEMBL Target Name: HERG
ChEMBL Target Type: SINGLE PROTEIN - Target is a single protein chain
Relationship Type: D - Direct protein target assigned
Confidence: Direct single protein target assigned

External ID: CHEMBL633100

Protocol: N/A

Comment: Journal: J Med Chem
Year: 2000
Volume: 43
Issue: 13
First Page: 2575
Last Page: 2585
DOI: 10.1021/jm0000564

External ID: CHEMBL876466

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 2005
Volume: 48
Issue: 9
First Page: 3269
Last Page: 3279
DOI: 10.1021/jm048980b

External ID: CHEMBL1909307

Protocol: N/A

Comment: Journal: PLoS Comput Biol
Year: 2011
Volume: 7
Issue: 12
First Page: 1
Last Page: 13
DOI: 10.1371/journal.pcbi.1002310

Target ChEMBL ID: CHEMBL1697861
ChEMBL Target Name: Hepatotoxicity
ChEMBL Target Type: PHENOTYPE - Target is a biological phenotype or process
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

External ID: CHEMBL4410741

Protocol: N/A

Comment: Compounds with activity <= 10uM or explicitly reported as active by ChEMBL are flagged as active in this PubChem assay presentation.

Journal: Bioorg Med Chem
Year: 2019
Volume: 27
Issue: 24
First Page: 115127
Last Page: 115127
DOI: 10.1016/j.bmc.2019.115127

Target ChEMBL ID: CHEMBL614632
ChEMBL Target Name: RBL-2H3
ChEMBL Target Type: CELL-LINE - Target is a specific cell-line
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

External ID: CHEMBL1909317

Protocol: N/A

Comment: Journal: PLoS Comput Biol
Year: 2011
Volume: 7
Issue: 12
First Page: 1
Last Page: 13
DOI: 10.1371/journal.pcbi.1002310

Target ChEMBL ID: CHEMBL1697861
ChEMBL Target Name: Hepatotoxicity
ChEMBL Target Type: PHENOTYPE - Target is a biological phenotype or process
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

External ID: CHEMBL4410742

Protocol: N/A

Comment: Compounds with activity <= 10uM or explicitly reported as active by ChEMBL are flagged as active in this PubChem assay presentation.

Journal: Bioorg Med Chem
Year: 2019
Volume: 27
Issue: 24
First Page: 115127
Last Page: 115127
DOI: 10.1016/j.bmc.2019.115127

Target ChEMBL ID: CHEMBL614632
ChEMBL Target Name: RBL-2H3
ChEMBL Target Type: CELL-LINE - Target is a specific cell-line
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

External ID: CHEMBL1909316

Protocol: N/A

Comment: Journal: PLoS Comput Biol
Year: 2011
Volume: 7
Issue: 12
First Page: 1
Last Page: 13
DOI: 10.1371/journal.pcbi.1002310

Target ChEMBL ID: CHEMBL1697861
ChEMBL Target Name: Hepatotoxicity
ChEMBL Target Type: PHENOTYPE - Target is a biological phenotype or process
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

External ID: CHEMBL4410743

Protocol: N/A

Comment: Compounds with activity <= 10uM or explicitly reported as active by ChEMBL are flagged as active in this PubChem assay presentation.

Journal: Bioorg Med Chem
Year: 2019
Volume: 27
Issue: 24
First Page: 115127
Last Page: 115127
DOI: 10.1016/j.bmc.2019.115127

Target ChEMBL ID: CHEMBL614632
ChEMBL Target Name: RBL-2H3
ChEMBL Target Type: CELL-LINE - Target is a specific cell-line
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular