benzamidine (CID 2332) - BioAssay Data Summary for Compound
.
BioActivity Outcomes:
Active(30)
 
 
Inactive(505)
 
 
Inconclusive(6)
 
 
Unspecified(19)
 
 
Top Targets:
Tryp SPc(22)
 
 
 
7TM GPCR Srx(13)
 
 
p450(10)
 
 
 
7TM GPCR Srsx(6)
 
 
Pyr redox dim(6)
 
 
BioAssay Types:
Screening(295)
 
 
 
Confirmatory(187)
 
 
 
 
Literature(49)
 
 
 
 
BioActivity Types:
Potency(149)
 
 
 
 
Ki(18)
 
 
 
IC50(14)
 
 
EC50(1)
 
 
SAR
Target summary
Data download

Chemical Probe    Active    Inactive    Inconclusive    Unspecified   

Total Bioassays: 528    Data Row: 560   Total Pages: 12   Display: Page     
Sort: [Click the result table header to sort]
#SubstanceActivityBioAssayTargetLinks
OutcomeTypeValue [μM]
1
[SID103186665]
Ki 0.031In vitro binding affinity by measuring the inhibition of bovine trypsin [AID215059, Type: Literature]
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2
[SID103186665]
Ki 0.031Inhibitory Activity against bovine trypsin [AID215198, Type: Literature]Cationic trypsin [gi:205371855]
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3
[SID103186665]
Ki 0.2Inhibitory concentration against human Coagulation factor Xa (fXa) [AID52164, Type: Literature]
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4
[SID103186665]
Ki 0.3In vitro binding affinity by measuring the inhibition of human thrombin [AID211004, Type: Literature]
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5
[SID103186665]
Ki 0.3Inhibitory Activity against human thrombin [AID211185, Type: Literature]
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6
[SID103186665]
Ki 0.41Binding affinity was evaluated against Coagulation factor X [AID51847, Type: Literature]
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7
[SID103186665]
Ki 1.24Binding affinity against human thrombin [AID211033, Type: Literature]Prothrombin [gi:135807]
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8
[SID103186665]
Ki 1.24Binding affinity against human thrombin [AID211033, Type: Literature]Prothrombin [gi:135807]
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9
[SID103186665]
Ki 18.4Binding affinity against bovine trypsin [AID214878, Type: Literature]
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10
[SID103186665]
Ki 20Inhibitory concentration against bovine trypsin [AID228433, Type: Literature]
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11
[SID103186665]
Ki 35Tested for the Inhibition of the catalytic activity of bovine trypsin at 25 degree C and pH 7.5. [AID215008, Type: other]
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12
[SID103186665]
Ki 39Inhibitory activity against bovine trypsin expressed as dissociation constant [AID214849, Type: Literature]Cationic trypsin [gi:205371855]
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13
[SID46391584]
 Experimentally measured binding affinity data derived from PDB [AID1811, Type: Literature]Chain A, Relocating A Negative Charge In The Binding Pocket Of Trypsin [gi:157830444]
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14
[SID46391622]
 Experimentally measured binding affinity data derived from PDB [AID1811, Type: Literature]Chain H, Structural Basis For Selectivity Of A Small Molecule, S1-Binding, Sub- Micromolar Inhibitor [gi:157838402]
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15
[SID46391623]
 Experimentally measured binding affinity data derived from PDB [AID1811, Type: Literature]Chain A, Structural Basis For Selectivity Of A Small Molecule, S1- Binding, Sub-Micromolar Inhibitor [gi:157838404]
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16
[SID46391629]
 Experimentally measured binding affinity data derived from PDB [AID1811, Type: Literature]Chain B, Structural Basis For Selectivity Of A Small Molecule, S1- Binding, Sub-Micromolar Inhibitor [gi:157838414]
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17
[SID46391860]
 Experimentally measured binding affinity data derived from PDB [AID1811, Type: Literature]Chain U, Urokinase Plasminogen Activator B-Chain-Benzamidine Complex [gi:14719744]
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18
[SID46392090]
 Experimentally measured binding affinity data derived from PDB [AID1811, Type: Literature]Chain A, Structure Of Human Trypsin Iv (Brain Trypsin) [gi:20149993]
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19
[SID46392252]
 Experimentally measured binding affinity data derived from PDB [AID1811, Type: Literature]Chain A, Benzamidine In Complex With Rat Trypsin Mutant X99rt [gi:27573668]
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20
[SID46392254]
 Experimentally measured binding affinity data derived from PDB [AID1811, Type: Literature]Chain A, Benzamidine In Complex With Rat Trypsin Mutant X99175190RT [gi:27573670]
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21
[SID46391647]
 Experimentally measured binding affinity data derived from PDB [AID1811, Type: Literature]Chain A, Bovine Pancreas Beta-Trypsin In Complex With Benzamidine [gi:4699733]
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22
[SID46392813]
 Experimentally measured binding affinity data derived from PDB [AID1811, Type: Literature]Chain A, T190p Streptomyces Griseus Trypsin In Complex With Benzamidine [gi:34810494]
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23
[SID46393387]
 Experimentally measured binding affinity data derived from PDB [AID1811, Type: Literature]Chain T, Benzamidine In Complex With Bovine Trypsin Variant X(Ssri) Bt.C1 [gi:49259456]
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24
[SID46393389]
 Experimentally measured binding affinity data derived from PDB [AID1811, Type: Literature]Chain T, Benzamidine In Complex With Bovine Trypsin Variant X(Triple.Glu)bt.D1 [gi:49259458]
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25
[SID46393390]
 Experimentally measured binding affinity data derived from PDB [AID1811, Type: Literature]Chain T, Benzamidine In Complex With Bovine Trypsin Variant X(Triple.Glu)bt.A1 [gi:49259459]
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26
[SID46393396]
 Experimentally measured binding affinity data derived from PDB [AID1811, Type: Literature]Chain T, Benzamidine In Complex With Bovine Trypsin Variant X(Ssfi.Glu)bt.D1 [gi:49259465]
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27
[SID46393398]
 Experimentally measured binding affinity data derived from PDB [AID1811, Type: Literature]Chain T, Benzamidine In Complex With Bovine Trypsin Varinat X(Ssai) Bt.D1 [gi:49259467]
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28
[SID46393399]
 Experimentally measured binding affinity data derived from PDB [AID1811, Type: Literature]Chain T, Benzamidine In Complex With Bovine Trypsin Variant X(Ssai) Bt.C1 [gi:49259468]
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29
[SID103186665]
 Plasma concentration in pig at 10 mg/kg, po [AID304873, Type: Literature]
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30
[SID103186665]
 Cmax in po dosed pig [AID304875, Type: Literature]
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31
[SID47193746]
 Aqueous Solubility from MLSMR Stock Solutions [AID1996, Type: other]
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32
[SID103186665]
Ki 160Inhibitory activity against bovine coagulation factor X expressed as dissociation constant [AID51339, Type: Literature]
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33
[SID103186665]
Ki 180Inhibitory activity against human urokinase plasminogen activator expressed as dissociation constant [AID215815, Type: Literature]
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34
[SID103186665]
Ki 220Tested for the Inhibition of the catalytic activity of human Thrombin at 25 degree C and pH 7.5. [AID211221, Type: other]
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35
[SID103186665]
Ki 349In vitro inhibitory activity towards Coagulation factor X was determined using chromogenic substrate, MeO-COD-CHG-Gly-Arg-pNA [AID239526, Type: Literature]
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36
[SID103186665]
Ki 350Tested for the Inhibition of the catalytic activity of human plasmin at 25 degree C and pH 7.5. [AID157999, Type: other]
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37
[SID103186665]
Ki 890Inhibitory activity against bovine thrombin expressed as dissociation constant [AID213275, Type: Literature]
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38
[SID103186665]
Ki 910Inhibitory activity against human tissue-type plasminogen activator expressed as dissociation constant [AID210925, Type: Literature]
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39
[SID103186665]
 log Kd (Binding affinity against specified protein) value of the compound [AID213367, Type: Literature]
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40
[SID103186665]
 Tmax in po dosed pig [AID304874, Type: Literature]
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41
[SID103186665]
 Binding affinity against trypsin [AID215916, Type: Literature]
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42
[SID103186665]
 Selectivity is the ratio of Ki's against inhibition of thrombin and trypsin [AID234945, Type: Literature]
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43
[SID103186665]
 Half life in po dosed pig [AID304876, Type: Literature]
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44
[SID103186665]
 Mean resident time in po dosed pig [AID304877, Type: Literature]
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45
[SID103186665]
 AUC in po dosed pig [AID304878, Type: Literature]
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46
[SID103186665]
 Volume of distribution in po dosed pig [AID304879, Type: Literature]
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47
[SID103186665]
 Clearance in po dosed pig [AID304880, Type: Literature]
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48
[SID103186665]
 Oral bioavailability in pig [AID304881, Type: Literature]
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49
[SID11110855]
 Cytochrome panel assay with activity outcomes [AID1851, Type: other]cytochrome P450, family 2, subfamily C, polypeptide 19 [Homo sapiens] [gi:4503219]
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50
[SID11110855]
 Cytochrome panel assay with activity outcomes [AID1851, Type: other]cytochrome P450, family 2, subfamily C, polypeptide 19 [Homo sapiens] [gi:4503219]
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