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SMILES: CCCCCCCCCCCCCCCCCC(=O)OCC1OC(Oc2cc3ccc(=O)oc3cc2O)C(O)C(O)C1O

InChI Key: InChIKey=JAVJQAQAODAPDV-UHFFFAOYSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 237207   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Serine protease 1


(Bos taurus (bovine))
BDBM237207
PNG
(Esculin stearate)
Show SMILES CCCCCCCCCCCCCCCCCC(=O)OCC1OC(Oc2cc3ccc(=O)oc3cc2O)C(O)C(O)C1O
Show InChI InChI=1S/C33H50O10/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-28(35)40-22-27-30(37)31(38)32(39)33(43-27)42-26-20-23-18-19-29(36)41-25(23)21-24(26)34/h18-21,27,30-34,37-39H,2-17,22H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.00E+4n/an/an/an/a8.0n/a



Slovak University of Technology



Assay 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...


J Enzyme Inhib Med Chem 27: 800-9 (2012)


Article DOI: 10.3109/14756366.2010.616860
BindingDB Entry DOI: 10.7270/Q2RR1X5T
More data for this
Ligand-Target Pair
Chymotrypsin-like elastase family member 1


(Sus scrofa (Pig))
BDBM237207
PNG
(Esculin stearate)
Show SMILES CCCCCCCCCCCCCCCCCC(=O)OCC1OC(Oc2cc3ccc(=O)oc3cc2O)C(O)C(O)C1O
Show InChI InChI=1S/C33H50O10/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-28(35)40-22-27-30(37)31(38)32(39)33(43-27)42-26-20-23-18-19-29(36)41-25(23)21-24(26)34/h18-21,27,30-34,37-39H,2-17,22H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.00E+4n/an/an/an/a8.0n/a



Slovak University of Technology



Assay 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...


J Enzyme Inhib Med Chem 27: 800-9 (2012)


Article DOI: 10.3109/14756366.2010.616860
BindingDB Entry DOI: 10.7270/Q2RR1X5T
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM237207
PNG
(Esculin stearate)
Show SMILES CCCCCCCCCCCCCCCCCC(=O)OCC1OC(Oc2cc3ccc(=O)oc3cc2O)C(O)C(O)C1O
Show InChI InChI=1S/C33H50O10/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-28(35)40-22-27-30(37)31(38)32(39)33(43-27)42-26-20-23-18-19-29(36)41-25(23)21-24(26)34/h18-21,27,30-34,37-39H,2-17,22H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 8.90E+4n/an/an/an/a8.0n/a



Slovak University of Technology



Assay 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...


J Enzyme Inhib Med Chem 27: 800-9 (2012)


Article DOI: 10.3109/14756366.2010.616860
BindingDB Entry DOI: 10.7270/Q2RR1X5T
More data for this
Ligand-Target Pair
Prothrombin


(Bos taurus (Bovine))
BDBM237207
PNG
(Esculin stearate)
Show SMILES CCCCCCCCCCCCCCCCCC(=O)OCC1OC(Oc2cc3ccc(=O)oc3cc2O)C(O)C(O)C1O
Show InChI InChI=1S/C33H50O10/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-28(35)40-22-27-30(37)31(38)32(39)33(43-27)42-26-20-23-18-19-29(36)41-25(23)21-24(26)34/h18-21,27,30-34,37-39H,2-17,22H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.20E+4n/an/an/an/a8.0n/a



Slovak University of Technology



Assay 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...


J Enzyme Inhib Med Chem 27: 800-9 (2012)


Article DOI: 10.3109/14756366.2010.616860
BindingDB Entry DOI: 10.7270/Q2RR1X5T
More data for this
Ligand-Target Pair