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SMILES: [Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)Oc1cc(OCCCCOc2cc(OS([O-])(=O)=O)cc3oc(-c4ccc(OS([O-])(=O)=O)c(OS([O-])(=O)=O)c4)c(OS([O-])(=O)=O)c(=O)c23)c2c(c1)oc(-c1ccc(OS([O-])(=O)=O)c(OS([O-])(=O)=O)c1)c(OS([O-])(=O)=O)c2=O

InChI Key: InChIKey=ITRZYFUIRDSZSS-UHFFFAOYSA-F

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50260058   
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
Neutrophil elastase


(Homo sapiens (Human))
BDBM50260058
PNG
(CHEMBL4095129)
Show SMILES [Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)Oc1cc(OCCCCOc2cc(OS([O-])(=O)=O)cc3oc(-c4ccc(OS([O-])(=O)=O)c(OS([O-])(=O)=O)c4)c(OS([O-])(=O)=O)c(=O)c23)c2c(c1)oc(-c1ccc(OS([O-])(=O)=O)c(OS([O-])(=O)=O)c1)c(OS([O-])(=O)=O)c2=O
Show InChI InChI=1S/C34H26O38S8/c35-29-27-23(11-17(65-73(37,38)39)13-25(27)63-31(33(29)71-79(55,56)57)15-3-5-19(67-75(43,44)45)21(9-15)69-77(49,50)51)61-7-1-2-8-62-24-12-18(66-74(40,41)42)14-26-28(24)30(36)34(72-80(58,59)60)32(64-26)16-4-6-20(68-76(46,47)48)22(10-16)70-78(52,53)54/h3-6,9-14H,1-2,7-8H2,(H,37,38,39)(H,40,41,42)(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54)(H,55,56,57)(H,58,59,60)/p-8
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MMDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.56E+3n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition of human neutrophil elastase using S1384 as substrate preincubated for 5 mins followed by substrate addition


J Med Chem 62: 5501-5511 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00379
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50260058
PNG
(CHEMBL4095129)
Show SMILES [Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)Oc1cc(OCCCCOc2cc(OS([O-])(=O)=O)cc3oc(-c4ccc(OS([O-])(=O)=O)c(OS([O-])(=O)=O)c4)c(OS([O-])(=O)=O)c(=O)c23)c2c(c1)oc(-c1ccc(OS([O-])(=O)=O)c(OS([O-])(=O)=O)c1)c(OS([O-])(=O)=O)c2=O
Show InChI InChI=1S/C34H26O38S8/c35-29-27-23(11-17(65-73(37,38)39)13-25(27)63-31(33(29)71-79(55,56)57)15-3-5-19(67-75(43,44)45)21(9-15)69-77(49,50)51)61-7-1-2-8-62-24-12-18(66-74(40,41)42)14-26-28(24)30(36)34(72-80(58,59)60)32(64-26)16-4-6-20(68-76(46,47)48)22(10-16)70-78(52,53)54/h3-6,9-14H,1-2,7-8H2,(H,37,38,39)(H,40,41,42)(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54)(H,55,56,57)(H,58,59,60)/p-8
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.60E+4n/an/an/an/an/an/a



Department of Medicinal Chemistry, and Institute for Structural Biology, Drug Discovery and Development, Virginia Commonwealth University , Richmond, Virginia 23219, United States.

Curated by ChEMBL


Assay Description
Allosteric inhibition of full length human plasmin by using chromogenic substrate spectrozyme PL preincubated for 5 mins followed by substrate additi...


J Med Chem 60: 641-657 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01474
BindingDB Entry DOI: 10.7270/Q2CF9SJM
More data for this
Ligand-Target Pair