Diflunisal (CID 3059) - BioAssay Data Summary for Compound
.
BioActivity Outcomes:
Active(18)
 
 
Inactive(644)
 
 
Inconclusive(72)
 
 
Unspecified(222)
 
 
Top Targets:
7TM GPCR Srx(23)
 
 
 
p450(20)
 
 
 
 
alkPPc(14)
 
 
7TM GPCR Srsx(13)
 
 
 
Bcl-2 like(10)
 
 
BioAssay Types:
Screening(290)
 
 
 
 
Confirmatory(276)
 
 
 
 
 
Literature(167)
 
 
 
 
 
BioActivity Types:
Potency(194)
 
 
 
 
IC50(167)
 
 
 
 
 
EC50(12)
 
 
 
 
Ki(2)
 
 
SAR
Target summary
Data download

Chemical Probe    Active    Inactive    Inconclusive    Unspecified   

Total Bioassays: 780    Data Row: 956   Total Pages: 20   Display: Page     
Sort: [Click the result table header to sort]
#SubstanceActivityBioAssayTargetLinks
OutcomeTypeValue [μM]
1
[SID103235071]
IC50 2.7Inhibition of human carbonic anhydrase 2 esterase activity by spectrophotometry [AID349141, Type: Literature]Carbonic anhydrase 2 [gi:115456]
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2
[SID103235071]
IC50 3.38Inhibition of human carbonic anhydrase 1 esterase activity by spectrophotometry [AID349140, Type: Literature]Carbonic anhydrase 1 [gi:115449]
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3
[SID103235071]
Ki 8.45Inhibition of human carbonic anhydrase 1 esterase activity by noncompetitive Lineweaver-Burke plot [AID349142, Type: Literature]Carbonic anhydrase 1 [gi:115449]
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4
[SID103235071]
Ki 9.37Inhibition of human carbonic anhydrase 2 esterase activity by non-competitive Lineweaver-Burke plot [AID349145, Type: Literature]Carbonic anhydrase 2 [gi:115456]
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5
[SID11112675]
Potency 12.5893qHTS Assay for Inhibitors of HSD17B4, hydroxysteroid (17-beta) dehydrogenase 4 [AID893, Type: confirmatory]Chain A, The Structure Of Wild-Type Human Hadh2 (17beta- Hydroxysteroid Dehydrogenase Type 10) Bound [gi:122921310]
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6
[SID855794]
Potency 15.1014qHTS profiling assay for firefly luciferase inhibitor/activator using purifed enzyme and Km concentrations of substrates (counterscreen for miR-21 project) [AID588342, Type: confirmatory]Luciferase [Photinus pyralis] [gi:160794]
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7
[SID855794]
Potency 31.6228qHTS Assay for Inhibitors of HSD17B4, hydroxysteroid (17-beta) dehydrogenase 4 [AID893, Type: confirmatory]Chain A, The Structure Of Wild-Type Human Hadh2 (17beta- Hydroxysteroid Dehydrogenase Type 10) Bound [gi:122921310]
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8
[SID855794]
 Phenotypic HTS multiplex for antifungal efflux pump inhibitors with Validation compound Set [AID588506, Type: screening]
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9
[SID103235071]
 Inhibition of TNF-alpha-induced NF-kappaB activation in human HCT116 cells at 1 mM after 6 hrs by luciferase reporter gene assay [AID639952, Type: Literature]
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10
[SID855794]
EC50 Fluorescent HTS Cytotoxicity/Cell viability assay (HPDE-C7K cells) [AID431, Type: confirmatory]
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11
[SID855794]
 Identification of Novel Modulators of Cl- dependent Transport Process via HTS: Retesting of KCC2 cells with Ouabain [AID1717, Type: other]
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12
[SID48415892]
 DSSTox (FDAMDD) FDA Maximum (Recommended) Daily Dose Database [AID1195, Type: other]
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13
[SID103235071]
 The first dissociation constant for binding to WT TTR determined by isothermal titration calorimetry (25 C, pH 8.0) [AID210956, Type: Literature]
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14
[SID103235071]
 The second dissociation constant for binding to WT TTR determined by isothermal titration calorimetry (25 C, pH 8.0) [AID210957, Type: Literature]
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15
[SID855794]
 HTS to identify compounds that promote myeloid differentiation with Validation compound set [AID588685, Type: screening]
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16
[SID855794]
 Identification of Novel Modulators of Cl- dependent Transport Process via HTS: Primary Screen [AID1456, Type: other]electroneutral potassium-chloride cotransporter KCC2 [Homo sapiens] [gi:12003227]
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17
[SID855794]
 HTS to identify Inhibitors of West Nile Virus NS2bNS3 Proteinase [AID577, Type: screening]polyprotein precursor [West Nile virus] [gi:11528014]
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18
[SID855794]
 Identification of Novel Modulators of Cl- dependent Transport Process via HTS: Secondary Assay 2 with KCC2 cells [AID1715, Type: other]electroneutral potassium-chloride cotransporter KCC2 [Homo sapiens] [gi:12003227]
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19
[SID103235071]
IC50 0.85TP_TRANSPORTER: inhibition of Adefovir uptake in OAT1-expressing CHO cells [AID681160, Type: other]
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20
[SID103235071]
IC50 109Inhibition of mycophenolic acid (1 mM) glucuronidation by human UGT enzymes from liver microsomes [AID624662, Type: Literature]
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21
[SID103235071]
IC50 122Inhibition of mycophenolic acid (0.5 mM) glucuronidation by human kidney microsomes [AID624661, Type: Literature]
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22
[SID103235071]
IC50 DRUGMATRIX: Imidazoline I2, Central radioligand binding (ligand: [3H] Idazoxan) [AID625272, Type: other]
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23
[SID103235071]
 Inhibition of wild type-TTR expressed in Escherichia coli assessed as amyloid fibril formation at pH 4.4 at 7. 2 uM after 72 hrs by acid-mediated aggregation assay relative to control [AID574422, Type: Literature]
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24
[SID103235071]
 Displacement of 4-fluorophenyl 3-(4-hydroxy-3,5-dimethylstyryl)benzoate from recombinant TTR assessed as fluorescence at 37 degC after 3 hrs [AID574423, Type: Literature]
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25
[SID8149302]
 Screen for compounds that correct neuronal dysfunction without cell death as induced by the expression of polyglutamine-expanded, N-terminal huntingtin in C. elegans mechanosensory neurons (HDELENEU) [AID1599, Type: other]
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26
[SID103235071]
 Intrinsic solubility of the compound in water [AID515780, Type: Literature]
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27
[SID103235071]
 Volume of distribution at steady state in human after iv administration [AID540209, Type: Literature]
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28
[SID103235071]
 Clearance in human after iv administration [AID540210, Type: Literature]
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29
[SID103235071]
 Fraction unbound in human after iv administration [AID540211, Type: Literature]
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30
[SID103235071]
 Mean residence time in human after iv administration [AID540212, Type: Literature]
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31
[SID103235071]
 Half life in human after iv administration [AID540213, Type: Literature]
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32
[SID103235071]
 Literature-mined public compounds from Lowe et al phospholipidosis modelling dataset [AID588208, Type: Literature]
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33
[SID103235071]
 Literature-mined public compounds from Greene et al multi-species hepatotoxicity modelling dataset [AID588209, Type: Literature]
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34
[SID103235071]
 Human drug-induced liver injury (DILI) modelling dataset from Ekins et al [AID588210, Type: Literature]
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35
[SID103235071]
 Literature-mined compound from Fourches et al multi-species drug-induced liver injury (DILI) dataset, effect in humans [AID588211, Type: Literature]
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36
[SID103235071]
 Literature-mined compound from Fourches et al multi-species drug-induced liver injury (DILI) dataset, effect in rodents [AID588212, Type: Literature]
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37
[SID103235071]
 Literature-mined compound from Fourches et al multi-species drug-induced liver injury (DILI) dataset, effect in non-rodents [AID588213, Type: Literature]
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38
[SID103235071]
 FDA HLAED, liver enzyme composite activity [AID588214, Type: Literature]
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39
[SID103235071]
 FDA HLAED, alkaline phosphatase increase [AID588215, Type: Literature]
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40
[SID103235071]
 FDA HLAED, serum glutamic oxaloacetic transaminase (SGOT) increase [AID588216, Type: Literature]
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41
[SID103235071]
 FDA HLAED, serum glutamic pyruvic transaminase (SGPT) increase [AID588217, Type: Literature]
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42
[SID103235071]
 FDA HLAED, lactate dehydrogenase (LDH) increase [AID588218, Type: Literature]
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43
[SID103235071]
 FDA HLAED, gamma-glutamyl transferase (GGT) increase [AID588219, Type: Literature]
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44
[SID103235071]
IC50 DRUGMATRIX: Melanocortin MC3 radioligand binding (ligand: [125I] NDP-alpha-MSH) [AID625147, Type: other] [gi:20141559]
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45
[SID103235071]
 TP_TRANSPORTER: inhibition of PAH uptake (PAH: 2 uM, Diflunisal: 1000 uM) in Xenopus laevis oocytes [AID681781, Type: other]
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46
[SID103235071]
 Dissociation constant, pKa of the compound [AID677462, Type: Literature]
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47
[SID103235071]
IC50 DRUGMATRIX: Acetylcholinesterase enzyme inhibition (substrate: acetylthiocholine) [AID625193, Type: other]Acetylcholinesterase [gi:113037]
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48
[SID103235071]
IC50 DRUGMATRIX: Adenosine A1 radioligand binding (ligand: DPCPX) [AID625194, Type: other]Adenosine receptor A [gi:231473]
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49
[SID103235071]
IC50 DRUGMATRIX: Adenosine A1 radioligand binding (ligand: DPCPX) [AID625194, Type: other]Adenosine receptor A [gi:231473]
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50
[SID103235071]
IC50 DRUGMATRIX: Adenosine A1 radioligand binding (ligand: DPCPX) [AID625194, Type: other]Adenosine receptor A [gi:231473]
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