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PubMed code 22788964

Compile data set for download or QSAR
Found 2 hits of Enzyme Inhibition Constant Data   
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
Prothrombin


(Homo sapiens (Human))
BDBM50350223
PNG
(CHEMBL1812010)
Show SMILES CCOC(=O)c1c(C)oc2cc(OC)c(OCc3oc4cc(OC)c(OS([O-])(=O)=O)cc4c3C(=O)OCC)cc12
Show InChI InChI=1S/C26H26O13S/c1-6-34-25(27)23-13(3)37-16-10-18(32-4)20(8-14(16)23)36-12-22-24(26(28)35-7-2)15-9-21(39-40(29,30)31)19(33-5)11-17(15)38-22/h8-11H,6-7,12H2,1-5H3,(H,29,30,31)/p-1
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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 5.50E+3n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition of recombinant wild type thrombin expressed in BHK cells assessed as spectrozyme TH hydrolysis after 10 mins


J Med Chem 55: 6888-97 (2012)


Article DOI: 10.1021/jm300670q
BindingDB Entry DOI: 10.7270/Q2TH8NTW
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50350223
PNG
(CHEMBL1812010)
Show SMILES CCOC(=O)c1c(C)oc2cc(OC)c(OCc3oc4cc(OC)c(OS([O-])(=O)=O)cc4c3C(=O)OCC)cc12
Show InChI InChI=1S/C26H26O13S/c1-6-34-25(27)23-13(3)37-16-10-18(32-4)20(8-14(16)23)36-12-22-24(26(28)35-7-2)15-9-21(39-40(29,30)31)19(33-5)11-17(15)38-22/h8-11H,6-7,12H2,1-5H3,(H,29,30,31)/p-1
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GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

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



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition of human plasma F10a assessed as spectrozyme TH hydrolysis after 10 mins


J Med Chem 55: 6888-97 (2012)


Article DOI: 10.1021/jm300670q
BindingDB Entry DOI: 10.7270/Q2TH8NTW
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%