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2 similar compounds to monomer 50310308

Compile data set for download or QSAR
Wt: 445.5
BDBM50310309
Wt: 443.4
BDBM50310311

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50310309,50310311   
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
Plasminogen activator inhibitor-1


(Homo sapiens (Human))
BDBM50310309
PNG
(CHEMBL596879 | N-(3,4-dihydroxyphenylsulfonyl)-N-h...)
Show SMILES CCCCCCN(S(=O)(=O)c1ccc(O)c(O)c1)S(=O)(=O)c1ccc(O)c(O)c1
Show InChI InChI=1S/C18H23NO8S2/c1-2-3-4-5-10-19(28(24,25)13-6-8-15(20)17(22)11-13)29(26,27)14-7-9-16(21)18(23)12-14/h6-9,11-12,20-23H,2-5,10H2,1H3
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Article
PubMed
n/an/a 284n/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
Coagulation factor X/antithrombin III


(Homo sapiens)
BDBM50310309
PNG
(CHEMBL596879 | N-(3,4-dihydroxyphenylsulfonyl)-N-h...)
Show SMILES CCCCCCN(S(=O)(=O)c1ccc(O)c(O)c1)S(=O)(=O)c1ccc(O)c(O)c1
Show InChI InChI=1S/C18H23NO8S2/c1-2-3-4-5-10-19(28(24,25)13-6-8-15(20)17(22)11-13)29(26,27)14-7-9-16(21)18(23)12-14/h6-9,11-12,20-23H,2-5,10H2,1H3
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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
Coagulation factor X/antithrombin III


(Homo sapiens)
BDBM50310311
PNG
(CHEMBL601265 | N-cyclohexyl-N-(3,4-dihydroxyphenyl...)
Show SMILES Oc1ccc(cc1O)S(=O)(=O)N(C1CCCCC1)S(=O)(=O)c1ccc(O)c(O)c1
Show InChI InChI=1S/C18H21NO8S2/c20-15-8-6-13(10-17(15)22)28(24,25)19(12-4-2-1-3-5-12)29(26,27)14-7-9-16(21)18(23)11-14/h6-12,20-23H,1-5H2
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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))
BDBM50310311
PNG
(CHEMBL601265 | N-cyclohexyl-N-(3,4-dihydroxyphenyl...)
Show SMILES Oc1ccc(cc1O)S(=O)(=O)N(C1CCCCC1)S(=O)(=O)c1ccc(O)c(O)c1
Show InChI InChI=1S/C18H21NO8S2/c20-15-8-6-13(10-17(15)22)28(24,25)19(12-4-2-1-3-5-12)29(26,27)14-7-9-16(21)18(23)11-14/h6-12,20-23H,1-5H2
PDB
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PC sid
UniChem

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Article
PubMed
n/an/a 594n/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