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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for monomerid = 50310304   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Plasminogen activator inhibitor 1


(Homo sapiens (Human))
BDBM50310304
PNG
(CHEMBL597510 | N,N'-(ethane-1,2-diyl)bis(N-ethyl-3...)
Show SMILES CCN(CCN(CC)S(=O)(=O)c1cccc(O)c1)S(=O)(=O)c1cccc(O)c1
Show InChI InChI=1S/C18H24N2O6S2/c1-3-19(27(23,24)17-9-5-7-15(21)13-17)11-12-20(4-2)28(25,26)18-10-6-8-16(22)14-18/h5-10,13-14,21-22H,3-4,11-12H2,1-2H3
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Article
PubMed
n/an/a 3.43E+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
Antithrombin-III


(Homo sapiens (Human))
BDBM50310304
PNG
(CHEMBL597510 | N,N'-(ethane-1,2-diyl)bis(N-ethyl-3...)
Show SMILES CCN(CCN(CC)S(=O)(=O)c1cccc(O)c1)S(=O)(=O)c1cccc(O)c1
Show InChI InChI=1S/C18H24N2O6S2/c1-3-19(27(23,24)17-9-5-7-15(21)13-17)11-12-20(4-2)28(25,26)18-10-6-8-16(22)14-18/h5-10,13-14,21-22H,3-4,11-12H2,1-2H3
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Article
PubMed
n/an/a>1.00E+6n/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