coumarin (CID 323) - BioAssay Data Summary for Compound
.
BioActivity Outcomes:
Active(43)
 
 
Inactive(1073)
 
 
Inconclusive(38)
 
 
Unspecified(1636)
 
 
Top Targets:
7TM GPCR Srx(31)
 
 
 
NR LBD PPAR(21)
 
 
 
7TM GPCR Srsx(20)
 
 
 
alpha CA I II..(19)
 
 
 
p450(18)
 
 
 
 
BioAssay Types:
Confirmatory(506)
 
 
 
 
 
Screening(465)
 
 
 
 
Literature(226)
 
 
 
 
 
BioActivity Types:
Potency(365)
 
 
 
 
 
IC50(170)
 
 
 
 
Ki(40)
 
 
 
EC50(8)
 
 
 
AC50(2)
 
 
SAR
Target summary
Data download

Chemical Probe    Active    Inactive    Inconclusive    Unspecified   

Total Bioassays: 2553    Data Row: 2790   Total Pages: 56   Display: Page     
Sort: [Click the result table header to sort]
#SubstanceActivityBioAssayTargetLinks
OutcomeTypeValue [μM]
1
[SID103164854]
Ki 0.048Inhibition of human carbonic anhydrase 14 by stopped flow CO2 hydration assay [AID444782, Type: Literature]Carbonic anhydrase 14 [gi:8928036]
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2
[SID103164854]
Km 0.64Michaelis-Menten constant of compound against mouse cytochrome P450 2A5 enzyme [AID239733, Type: Literature]
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3
[SID103164854]
Km 0.74Michaelis-Menten constant of compound against human cytochrome P450 2A6 enzyme [AID239732, Type: Literature]Cytochrome P450 2A6 [gi:308153612]
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4
[SID103164854]
Ki 2Inhibition of human carbonic anhydrase 6 by stopped flow CO2 hydration assay [AID444777, Type: Literature]Carbonic anhydrase 6 [gi:116241278]
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5
[SID103164854]
Ki 3.1Inhibition of full length human CA1 cytosolic isoform by stopped-flow CO2 hydration method [AID539679, Type: Literature]Carbonic anhydrase 1 [gi:115449]
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6
[SID103164854]
Ki 3.1Inhibition of human carbonic anhydrase 1 by stopped flow CO2 hydration assay [AID444771, Type: Literature]Carbonic anhydrase 1 [gi:115449]
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7
[SID103164854]
Ki 3.1Inhibition of human recombinant carbonic anhydrase 1 preincubated for 15 mins to 72 hrs measured after 6 hrs by stopped flow CO2 hydration method [AID649891, Type: Literature]Carbonic anhydrase 1 [gi:115449]
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8
[SID103164854]
Ki 3.1Inhibition of human CA1 pre-incubated for 15 mins to 24 hrs measured after 6 hrs by phenol red-based stopped-flow CO2 hydrase assay [AID639299, Type: Literature]Carbonic anhydrase 1 [gi:115449]
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9
[SID103164854]
Ki 3.1Inhibition of human full-length cytosolic CA1 after 6 hrs by stopped flow CO2 hydration assay [AID641823, Type: Literature]Carbonic anhydrase 1 [gi:115449]
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10
[SID103164854]
Ki 3.1Inhibition of human carbonic anhydrase 1 after 6 hrs by stop-flow CO2 hydration assay [AID650662, Type: Literature]Carbonic anhydrase 1 [gi:115449]
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11
[SID103164854]
Ki 3.3Inhibition of human carbonic anhydrase 7 by stopped flow CO2 hydration assay [AID444778, Type: Literature]Carbonic anhydrase 7 [gi:1168744]
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12
[SID103164854]
Ki 5.2Inhibition of human carbonic anhydrase 5B by stopped flow CO2 hydration assay [AID444776, Type: Literature]Carbonic anhydrase 5B, mitochondrial [gi:8928041]
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13
[SID103164854]
Ki 5.6Inhibition of human carbonic anhydrase 3 by stopped flow CO2 hydration assay [AID444773, Type: Literature]Carbonic anhydrase 3 [gi:134047703]
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14
[SID103164854]
Ki 6.8Inhibition of human carbonic anhydrase 4 by stopped flow CO2 hydration assay [AID444774, Type: Literature]Carbonic anhydrase 4 [gi:115465]
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15
[SID103164854]
Ki 8.9Inhibition of human carbonic anhydrase 12 by stopped flow CO2 hydration assay [AID444780, Type: Literature]Carbonic anhydrase 12 [gi:5915866]
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16
[SID103164854]
Ki 9.1Inhibition of human carbonic anhydrase 9 by stopped flow CO2 hydration assay [AID444779, Type: Literature]Carbonic anhydrase 9 [gi:83300925]
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17
[SID103164854]
Ki 9.2Inhibition of full length human CA2 cytosolic isoform by stopped-flow CO2 hydration method [AID539680, Type: Literature]Carbonic anhydrase 2 [gi:115456]
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18
[SID103164854]
Ki 9.2Inhibition of human carbonic anhydrase 2 after 6 hrs by stop-flow CO2 hydration assay [AID650663, Type: Literature]Carbonic anhydrase 2 [gi:115456]
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19
[SID103164854]
Ki 9.2Inhibition of human full-length cytosolic CA2 after 6 hrs by stopped flow CO2 hydration assay [AID641824, Type: Literature]Carbonic anhydrase 2 [gi:115456]
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20
[SID103164854]
Ki 9.2Inhibition of human CA2 pre-incubated for 15 mins to 24 hrs measured after 6 hrs by phenol red-based stopped-flow CO2 hydrase assay [AID639300, Type: Literature]Carbonic anhydrase 2 [gi:115456]
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21
[SID103164854]
Ki 9.2Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins to 72 hrs measured after 6 hrs by stopped flow CO2 hydration method [AID649890, Type: Literature]Carbonic anhydrase 2 [gi:115456]
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22
[SID103164854]
Ki 9.2Inhibition of mouse carbonic anhydrase 13 by stopped flow CO2 hydration assay [AID444781, Type: Literature]Carbonic anhydrase 13 [gi:30580372]
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23
[SID103164854]
Ki 9.4Inhibition of human carbonic anhydrase 5A by stopped flow CO2 hydration assay [AID444775, Type: Literature]Carbonic anhydrase 5A, mitochondrial [gi:461680]
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24
[SID103164854]
IC50 12.0226Inhibitory effect on Monoamine oxidase B, SD on IC50 values < 10% [AID127186, Type: Literature]
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25
[SID103164854]
Ki 39.6Inhibition of mouse carbonic anhydrase 15 by stopped flow CO2 hydration assay [AID444783, Type: Literature]Carbonic anhydrase 15 [gi:30580362]
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26
[SID103164854]
IC50 40.738Inhibitory effect on monoamine oxidase A, SD on IC50 values < 10% [AID126348, Type: other]
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27
[SID26753035]
Potency 501.187qHTS assay for small molecule agonists of the antioxidant response element (ARE) signaling pathway [AID651741, Type: confirmatory]NFE2L2 gene product [Homo sapiens] [gi:20149576]
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28
[SID26753035]
Potency 501.187qHTS assay for small molecule agonists of the antioxidant response element (ARE) signaling pathway [AID651741, Type: confirmatory]NFE2L2 gene product [Homo sapiens] [gi:20149576]
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29
[SID26753035]
Potency 501.187qHTS assay for small molecule agonists of the antioxidant response element (ARE) signaling pathway [AID651741, Type: confirmatory]NFE2L2 gene product [Homo sapiens] [gi:20149576]
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30
[SID26753035]
Potency 501.187qHTS assay for small molecule agonists of the antioxidant response element (ARE) signaling pathway [AID651741, Type: confirmatory]NFE2L2 gene product [Homo sapiens] [gi:20149576]
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31
[SID103164854]
 Inhibition of human CA2 by CO2 hydration assay [AID493455, Type: Literature]Carbonic anhydrase 2 [gi:115456]
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32
[SID103164854]
 Inhibition of human CA1 by CO2 hydration assay [AID493454, Type: Literature]Carbonic anhydrase 1 [gi:115449]
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33
[SID103164854]
 Inhibition of human CYP1A2 assessed as ratio of IC50 in absence of NADPH to IC50 for presence of NADPH using ethoxyresorufin as substrate after 30 mins [AID678712, Type: Literature]Cytochrome P450 1A2 [gi:117144]
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34
[SID103164854]
 Inhibition of human CYP1A2 assessed as ratio of IC50 in absence of NADPH to IC50 for presence of NADPH using ethoxyresorufin as substrate after 30 mins [AID678712, Type: Literature]Cytochrome P450 1A2 [gi:117144]
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35
[SID103164854]
 Inhibition of human CYP1A2 assessed as ratio of IC50 in absence of NADPH to IC50 for presence of NADPH using ethoxyresorufin as substrate after 30 mins [AID678712, Type: Literature]Cytochrome P450 1A2 [gi:117144]
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36
[SID103164854]
 Inhibition of human CYP3A4 assessed as ratio of IC50 in absence of NADPH to IC50 for presence of NADPH using diethoxyfluorescein as substrate after 30 mins [AID678716, Type: Literature]Cytochrome P450 3A4 [gi:116241312]
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37
[SID103164854]
 Inhibition of human CYP3A4 assessed as ratio of IC50 in absence of NADPH to IC50 for presence of NADPH using diethoxyfluorescein as substrate after 30 mins [AID678716, Type: Literature]Cytochrome P450 3A4 [gi:116241312]
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38
[SID103164854]
 Inhibition of human CYP3A4 assessed as ratio of IC50 in absence of NADPH to IC50 for presence of NADPH using diethoxyfluorescein as substrate after 30 mins [AID678716, Type: Literature]Cytochrome P450 3A4 [gi:116241312]
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39
[SID103164854]
 Inhibition of human CYP3A4 assessed as ratio of IC50 in absence of NADPH to IC50 for presence of NADPH using 7-benzyloxyquinoline as substrate after 30 mins [AID678717, Type: Literature]Cytochrome P450 3A4 [gi:116241312]
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40
[SID103164854]
 Inhibition of human CYP3A4 assessed as ratio of IC50 in absence of NADPH to IC50 for presence of NADPH using 7-benzyloxyquinoline as substrate after 30 mins [AID678717, Type: Literature]Cytochrome P450 3A4 [gi:116241312]
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41
[SID103164854]
 Inhibition of human CYP3A4 assessed as ratio of IC50 in absence of NADPH to IC50 for presence of NADPH using 7-benzyloxyquinoline as substrate after 30 mins [AID678717, Type: Literature]Cytochrome P450 3A4 [gi:116241312]
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42
[SID103164854]
 Inhibition of human CYP2C9 assessed as ratio of IC50 in absence of NADPH to IC50 for presence of NADPH using 7-methoxy-4-trifluoromethylcoumarin-3-acetic acid as substrate after 30 mins [AID678713, Type: Literature]Cytochrome P450 2C9 [gi:6686268]
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43
[SID103164854]
 Inhibition of human CYP2C9 assessed as ratio of IC50 in absence of NADPH to IC50 for presence of NADPH using 7-methoxy-4-trifluoromethylcoumarin-3-acetic acid as substrate after 30 mins [AID678713, Type: Literature]Cytochrome P450 2C9 [gi:6686268]
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44
[SID103164854]
 Inhibition of human CYP2C9 assessed as ratio of IC50 in absence of NADPH to IC50 for presence of NADPH using 7-methoxy-4-trifluoromethylcoumarin-3-acetic acid as substrate after 30 mins [AID678713, Type: Literature]Cytochrome P450 2C9 [gi:6686268]
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45
[SID103164854]
 Inhibition of human CYP2D6 assessed as ratio of IC50 in absence of NADPH to IC50 for presence of NADPH using 4-methylaminoethyl-7-methoxycoumarin as substrate after 30 mins [AID678715, Type: Literature]Cytochrome P450 2D6 [gi:84028191]
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46
[SID103164854]
 Inhibition of human CYP2D6 assessed as ratio of IC50 in absence of NADPH to IC50 for presence of NADPH using 4-methylaminoethyl-7-methoxycoumarin as substrate after 30 mins [AID678715, Type: Literature]Cytochrome P450 2D6 [gi:84028191]
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47
[SID103164854]
 Inhibition of human CYP2C19 assessed as ratio of IC50 in absence of NADPH to IC50 for presence of NADPH using 3-butyryl-7-methoxycoumarin as substrate after 30 mins [AID678714, Type: Literature]Cytochrome P450 2C19 [gi:60416369]
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48
[SID103164854]
 Inhibition of human CYP2C19 assessed as ratio of IC50 in absence of NADPH to IC50 for presence of NADPH using 3-butyryl-7-methoxycoumarin as substrate after 30 mins [AID678714, Type: Literature]Cytochrome P450 2C19 [gi:60416369]
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49
[SID48413487]
 DSSTox (CPDBAS) Carcinogenic Potency Database Summary SingleCellCall Results [AID1189, Type: other]
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50
[SID48413487]
 DSSTox (CPDBAS) Carcinogenic Potency Database Salmonella Mutagenicity [AID1194, Type: other]
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