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: CHEMBL4479083

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: CHEMBL3738634

Protocol: N/A

Comment: Journal: J. Med. Chem.
Year: 2015
Volume: 58
Issue: 21
First Page: 8683
Last Page: 8693
DOI: 10.1021/acs.jmedchem.5b01324

Target ChEMBL ID: CHEMBL3253
ChEMBL Target Name: Serum albumin
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: CHEMBL633098

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: CHEMBL4513082

Protocol: N/A

Comment: Target ChEMBL ID: CHEMBL4303835
ChEMBL Target Name: SARS-CoV-2
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

Data Source: SARS-CoV-2 Screening Data

External ID: CHEMBL926687

Protocol: N/A

Comment: Journal: Bioorg Med Chem
Year: 2007
Volume: 15
Issue: 24
First Page: 7738
Last Page: 7745
DOI: 10.1016/j.bmc.2007.08.060

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: CHEMBL632931

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: HMS1485

Protocol: Prior to screening, HeLa cells were transduced with a lentivirus carrying the vector PHAGE-N CMVt N-RIG3 p53(R273C) encoding constitutively expressed SGFP2 fused to histone 2B and mRuby-p53(R273C). Following transduction, the cells were selected using neomycin and fluorescent activated cell sorting. The day before the compound treatment, cells were plated (750 cells/well) in a final volume of 30 L/well of Dulbecco's modified Eagle's medium (DMEM) supplemented with 10% (v/v) fetal bovine serum using a Thermo Combi. Plates were spun for 45 s at 500 rpm and incubated overnight (~24 h) at 37 degrees C, 5% CO2.

On the day of the screening, 33 nL of each compound was transferred to assay wells via a custom pin-transfer workstation. Additionally, 33 nL of positive (Velcade 300 M) and negative (DMSO 100%) controls were transferred to each plate into the corresponding columns that did not contain experimental compounds. For every compound library plate, there were two daughter plates (A and B). Plates were stacked 5 high, covered with lids, and incubated at 37 degrees C for 24h and 48h.

Assay plates were read using an Acumen Laser Scanning Cytometer 24h and 48h after compound treatment, using the following settings: For SGFP2 (channel 2), the 488 nm laser was used, with 6 mW output, 600 voltage gain and sensitivity threshold at 1; and for mRuby (channel 3), the 561 nm laser was used, with 8 mW output, 600 voltage gain and sensitivity threshold at 1.

Comment: Total nuclei and %p53 positive was calculated for all wells at 24 and 48h using the Cellista software. Percentage of p53 positive cells values were normalized to the positive and negative controls to determine a normalized percent of p53 activation. This was done on a per plate basis. The proteasome inhibitor Velcade (Adipogen, AG-CR1-3602-M005) at 330 nM was used as positive control while only the vehicle (DMSO, Sigma, D8418, 0.1% final concentration) was used as negative control. From these values the following normalized values were calculated (for both 24h and 48h): Normalized total nuclei = (total nuclei in experimental well / plate average negative control total nuclei) * 100. Normalized %p53 positive = (%p53 positive in experimental well - plate average negative control %p53 positive cells) / (plate average positive control %p53 positive cells - plate average negative control %p53 positive cells) * 100.

Based on the normalized percent p53 positive values, a compound was considered active when replicate average normalized % p53 positive cells > 50% for either or both time points. Activity scores were based on the replicate average normalized %p53 positive cells at 24hr. Values less than 0 were set to 0, and values > 100 were set to 100 (100% activity). Compounds with an activity score > 50 were considered active; some compounds were scored active despite having an activity score < 50 since % p53 positive cells was > 50% only at 48hr.

The average normalized total nuclei values were categorized as:
Very Low: x < 25%
Low: 25% < X > 50%
Medium: 50% < X > 75%
High: x < 75%

The average normalized % of p53 positive cells values were categorized as:
Low: x < 25%
Medium: 25% < X > 50%
Strong: 50% < X > 75%
Very Strong: x < 75%

Compounds that scored as strong or very strong in this classification (at either time point) were selected for follow up.

External ID: HMS1419

Protocol: MELAS human cybrid cells: derived from bone, osteosarcoma; mt-tRNA mutation is m.3243A>G, MTTL1
Rieske KO cells: derived from connective tissue, fibroblasts; Rieske/UQCRFS1 knock-out

Prior to screening, cells were passaged in high glucose DMEM supplemented with 10% FBS, 1% P/S, 1 mM pyruvate, and 50 ug/ml uridine. Media was changed daily to prevent starvation and maintain cellular health.

On the day of screening, columns 1 & 3-23 of assay plates (Corning 3570) were filled with 30 uL of MELAS or Rieske KO cell suspension (50 cells/ul). Media for resuspension was DMEM (2.5 mM glucose, 22.5 mM galactose) supplemented with 10% FBS, 1% P/S, 1 mM pyruvate, and 50 ug/ml uridine. Positive control columns were 2 and 24 for most plate setups and media was DMEM (10 mM glucose, 15 mM galactose) with 10% FBS, 1% P/S, 1 mM pyruvate, and 50 ug/ml uridine. 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 2-3 days depending on cell line: MELAS 2 days, Rieske KO 3 days.

Library plates were screened in duplicate for each cell type, with all assay plates in a given set prepared on the same day.. After 2-3 days of incubation, CellTiter-Glo (10 ul/well) was added to assay plates and luminescence was read using a PerkinElmer EnVision plate reader.

Positive control: 10 mM glucose
Negative control: 2.5 mM glucose

Comment: Analysis and positive scoring method:

Crosstalk corrected luminescence values were normalized as Z-scores using the plate average and standard deviation of non-control well values (empty and compound). Each plate replicate was individually analyzed to measure reproducibility across plates. Z-scores were then averaged across replicates for both conditions (MELAS and Rieske) and an average Z-score threshold of 1.96 was selected for activity. Compound activity scores were derived by scaling replicate average MELAS Z-scores from 0 (0% activity; Z-score <= 0) to 100 (100 % activity; Z-score >= 4), with activity score of 50 having Z-score = 2. Compounds with an activity score >= 50 were considered active for MELAS; some were scored active for Rieske despite having an activity score < 50 since this value was based only on the MELAS condition Z-scores.

External ID: HMS1315

Protocol: Cybrid cells were washed with PBS, trypsinized, spun down at 300g for 5 minutes, and resuspended in 10 mLs of PBS. Cells were counted, and the appropriate amount of cells were added to a vial containing DMEM (No Glucose) + 2%FBS + 1% P/S + 10mM Galactose, DMEM (No Glucose) + 2%FBS + 1% P/S + 10mM Galactose + 0.3% DMSO, DMEM No Glucose + 2% FBS + 1% P/S + 10mM Galactose + 1uM I-BET GSK 525762A, or DMEM (No Glucose) + 2%FBS + 1% P/S + 10mM Galactose + 1.25mM Glucose. Cells were then seeded in a Corning 3570 384-well plate (40 ul/well,1500 cells/well). Two replicates were prepared as described at the same time per library plate.

100 nl of compound was added to each well via pin transfer immediately after seeding. After the addition of compound, cells were incubated for 72 hours at 37 degrees C with 5% CO2.

Following the 72 hour incubation period, the 384 well plates were centrifuged for 1 minute at 1000 rpm. The media was aspirated using an aspiration wand and fresh media DMEM only, was added to the cells (40uL/ well) using a well-mate. Fifteen-microliters of Cell Titer Glow substrate was then added to each well using the well-mate. The plates were gently vortexed for 10 seconds and then centrifuged for 1 minute at 1000 rpm. The plates were then immediately read on the Envision instrument and the luminescence was detected for each individual well.

Positive control (strong): Cells seeded in DMEM (No Glucose) + 2%FBS + 1% P/S + 10mM Galactose + 1.25mM Glucose
Positive control (weak): Cells seeded in DMEM No Glucose + 2% FBS + 1% P/S + 10mM Galactose + 1uM I-BET GSK 525762A
Negative control: Cells seeded in DMEM (No Glucose) + 2%FBS + 1% P/S + 10mM Galactose + 0.3% DMSO

Comment: Data analysis method and criteria for scoring active compounds:

Z-scores were calculated for both replicates separately using the plate average and standard deviation of experimental well luminescence (Z = (x - mu)/sigma). Compounds were considered active if both replicate Z-scores >= 1.8. Activity scores were determined by scaling replicate average Z-scores from 0 (activity score = 0) to 4 (activity score = 100), with activity score > 45 being considered active. Z-scores < 0 were set to activity score = 0; Z-scores > 4 were set to activity score = 100 (100% activity).

External ID: CHEMBL4417815

Protocol: N/A

Comment: Target ChEMBL ID: CHEMBL4523510
ChEMBL Target Name: Cholesterol 24-hydroxylase
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: SureChEMBL Patent Bioactivity Data

External ID: CHEMBL3885882

Protocol: N/A

Comment: Target ChEMBL ID: CHEMBL376
ChEMBL Target Name: Rattus norvegicus
ChEMBL Target Type: ORGANISM - Target is a complete organism
Relationship Type: N - Non-molecular target assigned
Confidence: Target assigned is non-molecular

Data Source: DrugMatrix

External ID: CHEMBL5724941

Protocol: N/A

Comment: Data Source: EMBL Heidelberg Gut Microbiome–host Interactions

External ID: CHEMBL5724944

Protocol: N/A

Comment: Data Source: EMBL Heidelberg Gut Microbiome–host Interactions

External ID: CHEMBL5724947

Protocol: N/A

Comment: Data Source: EMBL Heidelberg Gut Microbiome–host Interactions

External ID: HMS1149-MLP

Protocol: A 558 bp region upstream of hspX was PCR amplified and cloned upstream of the GFP-mut2 (Cormack et al., 1996). This construct was cloned into a modified version of the replicating plasmid pSE100 and transformed into CDC1551 to generate CDC1551(hspX'::GFP).

The M. tuberculosis CDC 1551 (hspX'::GFP) fluorescent biosensor was grown in pH 7.0 Middlebrook 7H9 medium to mid- to late-log phase. Black-walled, clear-bottom, tissue-culture treated 384-well microtiter plates (Corning #3712) were filled with 25 uL of buffered pH 7.0 7H9 medium using a Matrix Combi. 100 nL of compound was then transferred to each well via stainless steel pin array. Plates were manually sealed with DMSO-resistant aluminum seals and frozen at -80C until they were ready to be screened. The cultures were re-suspended in pH 7.0 7H9 and 25 uL was dispensed into each well of the 384-well assay plates already containing the perturbator utilizing a Cy-Bio Selma liquid handler robot to an OD595 of 0.05. The plates were then placed in a Ziploc bag with a moistened paper towel (to limit evaporation) and incubated for 6 days at 37C. Fluorescence and optical density (OD) readings were made on an EnSpire plate reader (Perkin Elmer, Inc.) at excitation and emission wavelengths of 488 and 509 nm as a top read, with the OD being taken at 595 nm as a bottom read.

The ~328,633 compound library was arrayed into black-walled, clear-bottom tissue-culture treated 384-well microtiter plates (Corning #3712) by pin transfer (100 nL), containing 25 uL of buffered pH 7.0 7H9 medium. In a previous screen utilizing the same compound library and screening method, four random compound plates were screened in duplicate to observe variation in hit robustness across plates and method. The result was that the duplicate plates did not vary in a statistically significant manner and due to the high volume of compounds to be screened (~328,633), replicates were not utilized.

Negative control: DMSO, 0.1% final concentration in buffered pH 7.0 7H9 in column 2 or column 23 of each plate

Positive control: 0.3 uM Rifampicin final concentration in buffered pH 7.0 7H9 in column 1 or column 24 of each plate

Comment: Analysis methods:
To calculate normalized fluorescence percent inhibition, plate average negative control fluorescence intensity (based on all plates within a screening run) was subtracted from well fluorescence intensity, divided by the difference between plate negative and positive control average fluorescence intensity (based on all plates within a screening run), and multiplied by 100. To calculate normalized growth inhibition, plate average negative control absorbance (based on all plates within a screening run) was subtracted from well absorbance, divided by the difference between plate negative and positive control average absorbance (based on all plates within a screening run), and multiplied by 100. Normalized fluorescence percent inhibition was divided by normalized growth inhibition to calculate a ratio. Wells were considered active if growth was not greatly decreased and showed either a 3-fold selectivity fluorescence to growth inhibition ratio (with 35-45% fluorescence inhibition) or a 1.5-fold selectivity fluorescence to growth inhibition ratio (with > 45% fluorescence inhibition). These compounds may be directly or indirectly inhibiting DosRS signaling. Wells were considered general inhibitors of M. tuberculosis growth if both fluorescence and growth inhibition > 50%. Activity scores were scaled from 100 to 0 and derived from normalized fluorescence percent inhibition, with 100 (or > 100) = 100% inhibition and 0 (or < 0) = no inhibition.

External ID: CHEMBL5724952

Protocol: N/A

Comment: Data Source: EMBL Heidelberg Gut Microbiome–host Interactions

External ID: CHEMBL5724954

Protocol: N/A

Comment: Data Source: EMBL Heidelberg Gut Microbiome–host Interactions

External ID: CHEMBL5724965

Protocol: N/A

Comment: Data Source: EMBL Heidelberg Gut Microbiome–host Interactions

External ID: CHEMBL5724915

Protocol: N/A

Comment: Data Source: EMBL Heidelberg Gut Microbiome–host Interactions

External ID: CHEMBL5724917

Protocol: N/A

Comment: Data Source: EMBL Heidelberg Gut Microbiome–host Interactions

External ID: CHEMBL5724916

Protocol: N/A

Comment: Data Source: EMBL Heidelberg Gut Microbiome–host Interactions

External ID: CHEMBL5724919

Protocol: N/A

Comment: Data Source: EMBL Heidelberg Gut Microbiome–host Interactions

External ID: CHEMBL5724918

Protocol: N/A

Comment: Data Source: EMBL Heidelberg Gut Microbiome–host Interactions

External ID: CHEMBL5724921

Protocol: N/A

Comment: Data Source: EMBL Heidelberg Gut Microbiome–host Interactions

External ID: CHEMBL5724920

Protocol: N/A

Comment: Data Source: EMBL Heidelberg Gut Microbiome–host Interactions

External ID: CHEMBL1697799

Protocol: N/A

Comment: Journal: Curr Drug Discov Technol
Year: 2004
Volume: 1
Issue: 4
First Page: 243
Last Page: 254
DOI: 10.2174/1570163043334794

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: CHEMBL1697800

Protocol: N/A

Comment: Journal: Curr Drug Discov Technol
Year: 2004
Volume: 1
Issue: 4
First Page: 243
Last Page: 254
DOI: 10.2174/1570163043334794

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: CHEMBL5724922

Protocol: N/A

Comment: Data Source: EMBL Heidelberg Gut Microbiome–host Interactions

External ID: CHEMBL1697801

Protocol: N/A

Comment: Journal: Curr Drug Discov Technol
Year: 2004
Volume: 1
Issue: 4
First Page: 243
Last Page: 254
DOI: 10.2174/1570163043334794

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: CHEMBL1697802

Protocol: N/A

Comment: Journal: Curr Drug Discov Technol
Year: 2004
Volume: 1
Issue: 4
First Page: 243
Last Page: 254
DOI: 10.2174/1570163043334794

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: CHEMBL1697778

Protocol: N/A

Comment: Journal: Chem Res Toxicol
Year: 2010
Volume: 23
Issue: 1
First Page: 171
Last Page: 183
DOI: 10.1021/tx900326k

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: CHEMBL1697779

Protocol: N/A

Comment: Journal: Chem Res Toxicol
Year: 2010
Volume: 23
Issue: 1
First Page: 171
Last Page: 183
DOI: 10.1021/tx900326k

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: CHEMBL1697780

Protocol: N/A

Comment: Journal: Chem Res Toxicol
Year: 2010
Volume: 23
Issue: 1
First Page: 171
Last Page: 183
DOI: 10.1021/tx900326k

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: CHEMBL1697797

Protocol: N/A

Comment: Journal: Curr Drug Discov Technol
Year: 2004
Volume: 1
Issue: 4
First Page: 243
Last Page: 254
DOI: 10.2174/1570163043334794

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: CHEMBL1697798

Protocol: N/A

Comment: Journal: Curr Drug Discov Technol
Year: 2004
Volume: 1
Issue: 4
First Page: 243
Last Page: 254
DOI: 10.2174/1570163043334794

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: HMS1158_MLP

Protocol: A 5 mL overnight pre-culture of E. coli is started by inoculating a tube of lysogeny broth with a single colony from an agar plate. The tube is incubated at 37 degrees C overnight with shaking. The resulting saturated culture is removed from the shaker and diluted into fresh lysogeny broth at 1:100 proportion and incubated at 37 degrees C with shaking for two hours. The culture is removed from the shaker and absorbance is measured at 600 nm. The culture is diluted into fresh lysogeny broth to an estimated absorbance of 0.0002. For each library plate to be screened, two 384-well assay plates are filled with 30 microL per well of fresh lysogeny broth, except for the positive control columns, which are left empty. The multiple of two is necessary to expose the strain in duplicate to the same compounds from a given library plate.

300 nL of experimental compounds are transferred into the assay plates from library plates using a robotically manipulated stainless steel pin array, exposing the strain to the same compounds at the same concentration. The positive control columns are filled with 30 microL of the positive control compound in LB. Thirty microL of E. coli culture at absorbance of 0.0002 are then added to the assay plates, producing a total volume of 60 microL in each well. Plates are incubated at 37 degrees C without shaking and with humidification for 23 hours. The plates are removed from the incubator, and absorbance of the cultures is measured at 600 nm using a PerkinElmer EnVision plate reader. The absorbance is used as the readout.

Positive control: (R)-4-(4-(2-fluoro-4-methoxyphenyl)-2-oxopyridin-1(2H)-yl)-N-hydroxy-2-methyl-2-(methylsulfonyl)butanamide was present at 0.0754 microM in all wells of column 24.

Negative control: No treatment in remaining empty wells of the assay plate (minimally, wells in column 23).

Comment: A threshold constant was calculated by subtracting 3.6 X experimental well standard deviation for absorbance from the experimental well average absorbance, combining all plates in a screening run. Well absorbance was then subtracted from this threshold value. Wells were considered active if the resulting value after subtracting the threshold constant > 0 for at least one replicate. Activity scores were calculated by subtracting well absorbance from negative control plate average absorbance, dividing by the difference between plate negative and positive control plate average absorbance, and multiplying by 100. Resulting values > 100 were set to 100 and < 0 were set to 0, where 100 = 100% activity.

External ID: CHEMBL1909164

Protocol: N/A

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

Target ChEMBL ID: CHEMBL1798
ChEMBL Target Name: Cysteinyl leukotriene receptor 1
ChEMBL Target Type: SINGLE PROTEIN - Target is a single protein chain
Relationship Type: H - Homologous protein target assigned
Confidence: Homologous single protein target assigned

Data Source: DrugMatrix

External ID: CHEMBL5724987

Protocol: N/A

Comment: Data Source: EMBL Heidelberg Gut Microbiome–host Interactions

External ID: CHEMBL1909163

Protocol: N/A

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

Target ChEMBL ID: CHEMBL1909043
ChEMBL Target Name: Leukotriene C4 synthase
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: DrugMatrix

External ID: CHEMBL1909166

Protocol: N/A

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

Target ChEMBL ID: CHEMBL4644
ChEMBL Target Name: Melanocortin receptor 3
ChEMBL Target Type: SINGLE PROTEIN - Target is a single protein chain
Relationship Type: H - Homologous protein target assigned
Confidence: Homologous single protein target assigned

Data Source: DrugMatrix

External ID: CHEMBL1909165

Protocol: N/A

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

Target ChEMBL ID: CHEMBL4358
ChEMBL Target Name: Polyunsaturated fatty acid lipoxygenase ALOX15
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: DrugMatrix

External ID: CHEMBL1909168

Protocol: N/A

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

Target ChEMBL ID: CHEMBL4608
ChEMBL Target Name: Melanocortin receptor 5
ChEMBL Target Type: SINGLE PROTEIN - Target is a single protein chain
Relationship Type: H - Homologous protein target assigned
Confidence: Homologous single protein target assigned

Data Source: DrugMatrix

External ID: CHEMBL1909167

Protocol: N/A

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

Target ChEMBL ID: CHEMBL259
ChEMBL Target Name: Melanocortin receptor 4
ChEMBL Target Type: SINGLE PROTEIN - Target is a single protein chain
Relationship Type: H - Homologous protein target assigned
Confidence: Homologous single protein target assigned

Data Source: DrugMatrix

External ID: CHEMBL1909170

Protocol: N/A

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

Target ChEMBL ID: CHEMBL216
ChEMBL Target Name: Muscarinic acetylcholine receptor M1
ChEMBL Target Type: SINGLE PROTEIN - Target is a single protein chain
Relationship Type: H - Homologous protein target assigned
Confidence: Homologous single protein target assigned

Data Source: DrugMatrix

External ID: CHEMBL1909169

Protocol: N/A

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

Target ChEMBL ID: CHEMBL1951
ChEMBL Target Name: Amine oxidase [flavin-containing] A
ChEMBL Target Type: SINGLE PROTEIN - Target is a single protein chain
Relationship Type: H - Homologous protein target assigned
Confidence: Homologous single protein target assigned

Data Source: DrugMatrix

External ID: CHEMBL5724992

Protocol: N/A

Comment: Data Source: EMBL Heidelberg Gut Microbiome–host Interactions

External ID: CHEMBL1909180

Protocol: N/A

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

Target ChEMBL ID: CHEMBL236
ChEMBL Target Name: Delta-type opioid receptor
ChEMBL Target Type: SINGLE PROTEIN - Target is a single protein chain
Relationship Type: H - Homologous protein target assigned
Confidence: Homologous single protein target assigned

Data Source: DrugMatrix

External ID: CHEMBL1909179

Protocol: N/A

Comment: Target ChEMBL ID: CHEMBL3464
ChEMBL Target Name: Nitric oxide synthase, inducible
ChEMBL Target Type: SINGLE PROTEIN - Target is a single protein chain
Relationship Type: H - Homologous protein target assigned
Confidence: Homologous single protein target assigned

Data Source: DrugMatrix