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BDBM50310305 CHEMBL596859::N,N'-(ethane-1,2-diyl)bis(N-ethyl-4-hydroxybenzenesulfonamide)

SMILES: CCN(CCN(CC)S(=O)(=O)c1ccc(O)cc1)S(=O)(=O)c1ccc(O)cc1

InChI Key: InChIKey=XFQCLEYXEMOVJZ-UHFFFAOYSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50310305   
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
Coagulation factor X/antithrombin III


(Homo sapiens)
BDBM50310305
PNG
(CHEMBL596859 | N,N'-(ethane-1,2-diyl)bis(N-ethyl-4...)
Show SMILES CCN(CCN(CC)S(=O)(=O)c1ccc(O)cc1)S(=O)(=O)c1ccc(O)cc1
Show InChI InChI=1S/C18H24N2O6S2/c1-3-19(27(23,24)17-9-5-15(21)6-10-17)13-14-20(4-2)28(25,26)18-11-7-16(22)8-12-18/h5-12,21-22H,3-4,13-14H2,1-2H3
PDB
MMDB

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PC cid
PC sid
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Similars

Article
PubMed
n/an/a>3.00E+5n/an/an/an/an/an/a



Eastern Michigan University

Curated by ChEMBL


Assay Description
Inhibition of antithrombin-3 assessed as residual alpha-thrombin activity


Bioorg Med Chem Lett 20: 966-70 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.051
BindingDB Entry DOI: 10.7270/Q24M94P3
More data for this
Ligand-Target Pair
Plasminogen activator inhibitor-1


(Homo sapiens (Human))
BDBM50310305
PNG
(CHEMBL596859 | N,N'-(ethane-1,2-diyl)bis(N-ethyl-4...)
Show SMILES CCN(CCN(CC)S(=O)(=O)c1ccc(O)cc1)S(=O)(=O)c1ccc(O)cc1
Show InChI InChI=1S/C18H24N2O6S2/c1-3-19(27(23,24)17-9-5-15(21)6-10-17)13-14-20(4-2)28(25,26)18-11-7-16(22)8-12-18/h5-12,21-22H,3-4,13-14H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a>3.00E+5n/an/an/an/an/an/a



Eastern Michigan University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PAI1 assessed as rate of AMC release after 30 mins


Bioorg Med Chem Lett 20: 966-70 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.051
BindingDB Entry DOI: 10.7270/Q24M94P3
More data for this
Ligand-Target Pair