BDBM237191 Rutin palmitate

SMILES CCCCCCCCCCCCCCCC(=O)OC1C(C)OC(OCC2OC(Oc3c(oc4cc(O)cc(O)c4c3=O)-c3ccc(O)c(O)c3)C(O)C(O)C2O)C(O)C1O

InChI Key InChIKey=IMTVOEVUZGLECQ-UHFFFAOYSA-N

Data  4 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 237191   

TargetSerine protease 1(Bos taurus (bovine))
Slovak University of Technology

LigandPNGBDBM237191(Rutin palmitate)
Show SMILES CCCCCCCCCCCCCCCC(=O)OC1C(C)OC(OCC2OC(Oc3c(oc4cc(O)cc(O)c4c3=O)-c3ccc(O)c(O)c3)C(O)C(O)C2O)C(O)C1O
Show InChI InChI=1S/C43H60O17/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-31(48)59-39-23(2)56-42(38(54)36(39)52)55-22-30-33(49)35(51)37(53)43(58-30)60-41-34(50)32-28(47)20-25(44)21-29(32)57-40(41)24-17-18-26(45)27(46)19-24/h17-21,23,30,33,35-39,42-47,49,51-54H,3-16,22H2,1-2H3
Affinity DataIC50: 4.00E+4nMpH: 8.0Assay Description:The rate of hydrolysis of the substrates (0.3 mM) by trypsin (18 U/ml), thrombin (12.5 NIH U/ml), urokinase (62500 IU/ml) and elastase (8.4 U/ml) was...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetChymotrypsin-like elastase family member 1(Sus scrofa (Pig))
Slovak University of Technology

LigandPNGBDBM237191(Rutin palmitate)
Show SMILES CCCCCCCCCCCCCCCC(=O)OC1C(C)OC(OCC2OC(Oc3c(oc4cc(O)cc(O)c4c3=O)-c3ccc(O)c(O)c3)C(O)C(O)C2O)C(O)C1O
Show InChI InChI=1S/C43H60O17/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-31(48)59-39-23(2)56-42(38(54)36(39)52)55-22-30-33(49)35(51)37(53)43(58-30)60-41-34(50)32-28(47)20-25(44)21-29(32)57-40(41)24-17-18-26(45)27(46)19-24/h17-21,23,30,33,35-39,42-47,49,51-54H,3-16,22H2,1-2H3
Affinity DataIC50: 5.00E+5nMpH: 8.0Assay Description:The rate of hydrolysis of the substrates (0.3 mM) by trypsin (18 U/ml), thrombin (12.5 NIH U/ml), urokinase (62500 IU/ml) and elastase (8.4 U/ml) was...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetUrokinase-type plasminogen activator(Homo sapiens (Human))
Slovak University of Technology

LigandPNGBDBM237191(Rutin palmitate)
Show SMILES CCCCCCCCCCCCCCCC(=O)OC1C(C)OC(OCC2OC(Oc3c(oc4cc(O)cc(O)c4c3=O)-c3ccc(O)c(O)c3)C(O)C(O)C2O)C(O)C1O
Show InChI InChI=1S/C43H60O17/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-31(48)59-39-23(2)56-42(38(54)36(39)52)55-22-30-33(49)35(51)37(53)43(58-30)60-41-34(50)32-28(47)20-25(44)21-29(32)57-40(41)24-17-18-26(45)27(46)19-24/h17-21,23,30,33,35-39,42-47,49,51-54H,3-16,22H2,1-2H3
Affinity DataIC50: 1.50E+4nMpH: 8.0Assay Description:The rate of hydrolysis of the substrates (0.3 mM) by trypsin (18 U/ml), thrombin (12.5 NIH U/ml), urokinase (62500 IU/ml) and elastase (8.4 U/ml) was...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetProthrombin(Bos taurus (Bovine))
Slovak University of Technology

LigandPNGBDBM237191(Rutin palmitate)
Show SMILES CCCCCCCCCCCCCCCC(=O)OC1C(C)OC(OCC2OC(Oc3c(oc4cc(O)cc(O)c4c3=O)-c3ccc(O)c(O)c3)C(O)C(O)C2O)C(O)C1O
Show InChI InChI=1S/C43H60O17/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-31(48)59-39-23(2)56-42(38(54)36(39)52)55-22-30-33(49)35(51)37(53)43(58-30)60-41-34(50)32-28(47)20-25(44)21-29(32)57-40(41)24-17-18-26(45)27(46)19-24/h17-21,23,30,33,35-39,42-47,49,51-54H,3-16,22H2,1-2H3
Affinity DataIC50: 3.00E+3nMpH: 8.0Assay Description:The rate of hydrolysis of the substrates (0.3 mM) by trypsin (18 U/ml), thrombin (12.5 NIH U/ml), urokinase (62500 IU/ml) and elastase (8.4 U/ml) was...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid