BindingDB logo
myBDB logout

BDBM237196 Rutin arachidonate

SMILES: CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCC(=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=YSFPWUHVRHDGAU-ZKWNWVNENA-N

Data: 4 IC50

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 = 237196   
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
Trypsin


(Bos taurus (bovine))
BDBM237196
PNG
(Rutin arachidonate)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCC(=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=1/C46H58O17/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-34(51)62-42-26(2)59-45(41(57)39(42)55)58-25-33-36(52)38(54)40(56)46(61-33)63-44-37(53)35-31(50)23-28(47)24-32(35)60-43(44)27-20-21-29(48)30(49)22-27/h7-8,10-11,13-14,16-17,20-24,26,33,36,38-42,45-50,52,54-57H,3-6,9,12,15,18-19,25H2,1-2H3/b8-7-,11-10-,14-13-,17-16-
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.50E+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
Elastase


(Sus scrofa (Pig))
BDBM237196
PNG
(Rutin arachidonate)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCC(=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=1/C46H58O17/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-34(51)62-42-26(2)59-45(41(57)39(42)55)58-25-33-36(52)38(54)40(56)46(61-33)63-44-37(53)35-31(50)23-28(47)24-32(35)60-43(44)27-20-21-29(48)30(49)22-27/h7-8,10-11,13-14,16-17,20-24,26,33,36,38-42,45-50,52,54-57H,3-6,9,12,15,18-19,25H2,1-2H3/b8-7-,11-10-,14-13-,17-16-
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>5.00E+5n/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))
BDBM237196
PNG
(Rutin arachidonate)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCC(=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=1/C46H58O17/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-34(51)62-42-26(2)59-45(41(57)39(42)55)58-25-33-36(52)38(54)40(56)46(61-33)63-44-37(53)35-31(50)23-28(47)24-32(35)60-43(44)27-20-21-29(48)30(49)22-27/h7-8,10-11,13-14,16-17,20-24,26,33,36,38-42,45-50,52,54-57H,3-6,9,12,15,18-19,25H2,1-2H3/b8-7-,11-10-,14-13-,17-16-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 9.00E+3n/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
Thrombin


(Bos taurus (Bovine))
BDBM237196
PNG
(Rutin arachidonate)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCC(=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=1/C46H58O17/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-34(51)62-42-26(2)59-45(41(57)39(42)55)58-25-33-36(52)38(54)40(56)46(61-33)63-44-37(53)35-31(50)23-28(47)24-32(35)60-43(44)27-20-21-29(48)30(49)22-27/h7-8,10-11,13-14,16-17,20-24,26,33,36,38-42,45-50,52,54-57H,3-6,9,12,15,18-19,25H2,1-2H3/b8-7-,11-10-,14-13-,17-16-
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.00E+3n/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