BDBM237206 Esculin palmitate

SMILES CCCCCCCCCCCCCCCC(=O)OCC1OC(Oc2cc3ccc(=O)oc3cc2O)C(O)C(O)C1O

InChI Key InChIKey=IRKUOVGUTNOYMP-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 = 237206   

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

LigandPNGBDBM237206(Esculin palmitate)
Show SMILES CCCCCCCCCCCCCCCC(=O)OCC1OC(Oc2cc3ccc(=O)oc3cc2O)C(O)C(O)C1O
Show InChI InChI=1S/C31H46O10/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-26(33)38-20-25-28(35)29(36)30(37)31(41-25)40-24-18-21-16-17-27(34)39-23(21)19-22(24)32/h16-19,25,28-32,35-37H,2-15,20H2,1H3
Affinity DataIC50: 2.10E+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
TargetChymotrypsin-like elastase family member 1(Sus scrofa (Pig))
Slovak University of Technology

LigandPNGBDBM237206(Esculin palmitate)
Show SMILES CCCCCCCCCCCCCCCC(=O)OCC1OC(Oc2cc3ccc(=O)oc3cc2O)C(O)C(O)C1O
Show InChI InChI=1S/C31H46O10/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-26(33)38-20-25-28(35)29(36)30(37)31(41-25)40-24-18-21-16-17-27(34)39-23(21)19-22(24)32/h16-19,25,28-32,35-37H,2-15,20H2,1H3
Affinity DataIC50: 3.00E+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
TargetUrokinase-type plasminogen activator(Homo sapiens (Human))
Slovak University of Technology

LigandPNGBDBM237206(Esculin palmitate)
Show SMILES CCCCCCCCCCCCCCCC(=O)OCC1OC(Oc2cc3ccc(=O)oc3cc2O)C(O)C(O)C1O
Show InChI InChI=1S/C31H46O10/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-26(33)38-20-25-28(35)29(36)30(37)31(41-25)40-24-18-21-16-17-27(34)39-23(21)19-22(24)32/h16-19,25,28-32,35-37H,2-15,20H2,1H3
Affinity DataIC50: 1.00E+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
TargetProthrombin(Bos taurus (Bovine))
Slovak University of Technology

LigandPNGBDBM237206(Esculin palmitate)
Show SMILES CCCCCCCCCCCCCCCC(=O)OCC1OC(Oc2cc3ccc(=O)oc3cc2O)C(O)C(O)C1O
Show InChI InChI=1S/C31H46O10/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-26(33)38-20-25-28(35)29(36)30(37)31(41-25)40-24-18-21-16-17-27(34)39-23(21)19-22(24)32/h16-19,25,28-32,35-37H,2-15,20H2,1H3
Affinity DataIC50: 5.40E+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