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CHEMBL57818 (CID 21771691) - Compound BioActivity Data
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BioActivity Outcomes:
Active(30)
 
 
Inactive(6)
 
 
Unspecified(26)
 
 
Top Targets:
PAD(18)
 
 
 
 
PAD M(4)
 
 
Flavodoxin 2(1)
 
 
BioAssay Types:
Literature(46)
 
 
 
 
Confirmatory(5)
 
 
BioActivity Types:
IC50(10)
 
 
Ki(2)
 
 
EC50(2)
 
 
Data download

Chemical Probe    Active    Inactive    Inconclusive    Unspecified   

Total Bioassays: 51    Data Row: 62   Total Pages: 4   Display: Page     
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#SubstanceActivityBioAssayTargetLinks
OutcomeTypeValue [μM]
1
[SID118043663]
Average IC50 [PAD3] 0.13Late stage assay provider results from the probe development effort to identify inhibitors of Protein Arginine Deiminase 4 (PAD4): colorimetric biochemical substrate assay to assess potency of compound 3 against PAD1-4 [AID588471_3, Type: confirmatory]protein-arginine deiminase type-3 [Homo sapiens] [gi:122939161]
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2
[SID103245835]
IC50 0.13Inhibition of recombinant wild-type PAD3 (unknown origin) using N-alpha-Benzoyl-L-arginine amide as substrate preincubated for 15 mins followed by substrate addition measured after 15 mins by COLDER assay [AID1069620, Type: Literature]Protein-arginine deiminase type-3 [gi:56757696]
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3
[SID118043663]
Average IC50 [PAD2] 0.32Late stage assay provider results from the probe development effort to identify inhibitors of Protein Arginine Deiminase 4 (PAD4): colorimetric biochemical substrate assay to assess potency of compound 3 against PAD1-4 [AID588471_2, Type: confirmatory]protein-arginine deiminase type-2 [Homo sapiens] [gi:122939159]
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4
[SID103245835]
IC50 0.32Inhibition of recombinant wild-type PAD2 (unknown origin) using N-alpha-Benzoyl-L-arginine ethyl ester as substrate preincubated for 15 mins followed by substrate addition measured after 15 mins by COLDER assay [AID1069621, Type: Literature]Protein-arginine deiminase type-2 [gi:7531171]
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5
[SID103245835]
EC50 0.4Cytotoxicity against human U2OS cells after 3 days by XTT-PMS assay [AID1069594, Type: Literature]
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6
[SID103245835]
EC50 0.6Cytotoxicity against mouse NIH/3T3 cells after 3 days by XTT-PMS assay [AID1069593, Type: Literature]
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7
[SID118043663]
Average IC50 [PAD4] 0.64Late stage assay provider results from the probe development effort to identify inhibitors of Protein Arginine Deiminase 4 (PAD4): colorimetric biochemical substrate assay to assess potency of compound 3 against PAD1-4 [AID588471_4, Type: confirmatory]protein-arginine deiminase type-4 [Homo sapiens] [gi:216548487]
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8
[SID103245835]
IC50 0.64Inhibition of recombinant wild-type PAD4 (unknown origin) using N-alpha-Benzoyl-L-arginine ethyl ester as substrate preincubated for 15 mins followed by substrate addition measured after 15 mins by COLDER assay [AID1069619, Type: Literature]Protein-arginine deiminase type-4 [gi:296439260]
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9
[SID118043663]
Average IC50 [PAD1] 0.95Late stage assay provider results from the probe development effort to identify inhibitors of Protein Arginine Deiminase 4 (PAD4): colorimetric biochemical substrate assay to assess potency of compound 3 against PAD1-4 [AID588471_1, Type: confirmatory]protein-arginine deiminase type-1 [Homo sapiens] [gi:122056685]
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10
[SID103245835]
IC50 0.95Inhibition of recombinant wild-type PAD1 (unknown origin) using N-alpha-Benzoyl-L-arginine amide as substrate preincubated for 15 mins followed by substrate addition measured after 15 mins by COLDER assay [AID1069622, Type: Literature]Protein-arginine deiminase type-1 [gi:56757695]
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11
[SID103245835]
IC50 5.3Cytotoxicity against human MDA-MB-468 cells expressing NQO1 incubated for 2 hrs measured after 3 to 5 days by MTT assay [AID737919, Type: Literature]
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12
[SID103245835]
IC50 19Cytotoxicity against NQO1-deficient human wild type MDA-MB-468 cells incubated for 2 hrs measured after 3 to 5 days by MTT assay [AID737921, Type: Literature]
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13
[SID118043663]
Late stage assay provider results from the probe development effort to identify inhibitors of Protein Arginine Deiminase 4 (PAD4): colorimetric biochemical substrate assay to assess potency of compound 3 against PAD1-4 [AID588471, Type: confirmatory]
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14
[SID118043663]
Late stage assay provider results from the probe development effort to identify inhibitors of PAD4: colorimetric biochemical substrate assay to identify inhibitors of PADs 1-4 [AID588560, Type: other]
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15
[SID103245835]
Binding affinity to PAD4 C645A mutant (unknown origin) assessed as mass shift of enzyme at 1:10 enzyme to compound ratio preincubated for 1 hr followed by overnight dialysis in double distilled water by MALDI mass spectrometric analysis in presence of catalase [AID1069597, Type: Literature]
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16
[SID103245835]
Binding affinity to PAD4 C645A mutant (unknown origin) assessed as mass shift of enzyme at 1:10 enzyme to compound ratio preincubated for 1 hr followed by overnight dialysis in double distilled water by MALDI mass spectrometric analysis in presence of superoxide dismutase [AID1069599, Type: Literature]
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17
[SID103245835]
Binding affinity to PAD4 C645A mutant (unknown origin) assessed as mass shift of enzyme at 1:10 enzyme to compound ratio preincubated for 1 hr followed by overnight dialysis in double distilled water by MALDI mass spectrometric analysis [AID1069601, Type: Literature]
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18
[SID103245835]
Binding affinity to PAD2 C647A mutant (unknown origin) assessed as mass shift of enzyme at 1:10 enzyme to compound ratio preincubated for 1 hr followed by overnight dialysis in double distilled water by MALDI mass spectrometric analysis [AID1069602, Type: Literature]
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19
[SID103245835]
Binding affinity to recombinant wild-type PAD2 (unknown origin) assessed as mass shift of enzyme at 1:10 enzyme to compound ratio preincubated for 1 hr followed by overnight dialysis in double distilled water by MALDI mass spectrometric analysis [AID1069603, Type: Literature]Protein-arginine deiminase type-2 [gi:7531171]
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20
[SID103245835]
Competitive inhibition of recombinant wild-type PAD2 (unknown origin) at 0.1 to 2.5 uM by fluorescence polarization-ABPP assay in presence of RFA [AID1069607, Type: Literature]Protein-arginine deiminase type-2 [gi:7531171]
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