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PubMed code 12639557

Compile data set for download or QSAR
Found 7 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
Coagulation factor X


(Homo sapiens (Human))		BDBM50421638
PNG
(CHEMBL2303825)
Show SMILES CO[C@H]1O[C@H](COS(O)(=O)=O)[C@@H](O[C@@H]2O[C@@H]([C@@H](O[C@H]3O[C@H](COS(O)(=O)=O)[C@@H](O)[C@H](O)[C@H]3NS(O)(=O)=O)[C@H](O)[C@H]2O)C(O)=O)[C@H](OS(O)(=O)=O)[C@H]1NS(O)(=O)=O |r|
Show InChI InChI=1S/C19H34N2O30S5/c1-43-17-7(21-53(31,32)33)13(51-56(40,41)42)12(5(47-17)3-45-55(37,38)39)48-19-11(25)10(24)14(15(50-19)16(26)27)49-18-6(20-52(28,29)30)9(23)8(22)4(46-18)2-44-54(34,35)36/h4-15,17-25H,2-3H2,1H3,(H,26,27)(H,28,29,30)(H,31,32,33)(H,34,35,36)(H,37,38,39)(H,40,41,42)/t4-,5-,6-,7-,8-,9-,10-,11-,12-,13-,14+,15+,17+,18-,19-/m1/s1
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n/an/an/a 2.00E+3n/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Equilibrium dissociation constant of factor Xa inhibition

Bioorg Med Chem Lett 13: 679-83 (2003)


BindingDB Entry DOI: 10.7270/Q20865VX
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))		BDBM50124862
PNG
(2-[3,4-bis(sulfonatooxy)phenyl]-4-oxo-3,5-bis(sulf...)
Show SMILES [O-]S(=O)(=O)Oc1cc(OS([O-])(=O)=O)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/C15H10O22S5/c16-13-12-10(4-7(33-38(17,18)19)5-11(12)36-41(26,27)28)32-14(15(13)37-42(29,30)31)6-1-2-8(34-39(20,21)22)9(3-6)35-40(23,24)25/h1-5H,(H,17,18,19)(H,20,21,22)(H,23,24,25)(H,26,27,28)(H,29,30,31)/p-5
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n/an/an/a 1.70E+4n/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Equilibrium dissociation constant of factor Xa inhibition

Bioorg Med Chem Lett 13: 679-83 (2003)


BindingDB Entry DOI: 10.7270/Q20865VX
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))		BDBM50118798
PNG
((+/-)-CS Sulfuric acid mono-[2-(3,4-bis-sulfooxy -...)
Show SMILES [O-]S(=O)(=O)O[C@@H]1Cc2c(OS([O-])(=O)=O)cc(OS([O-])(=O)=O)cc2O[C@H]1c1ccc(OS([O-])(=O)=O)c(OS([O-])(=O)=O)c1
Show InChI InChI=1S/C15H14O21S5/c16-37(17,18)32-8-4-11-9(12(5-8)34-39(22,23)24)6-14(36-41(28,29)30)15(31-11)7-1-2-10(33-38(19,20)21)13(3-7)35-40(25,26)27/h1-5,14-15H,6H2,(H,16,17,18)(H,19,20,21)(H,22,23,24)(H,25,26,27)(H,28,29,30)/p-5/t14-,15+/m1/s1
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n/an/an/a 2.61E+4n/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Equilibrium dissociation constant of factor Xa inhibition

Bioorg Med Chem Lett 13: 679-83 (2003)


BindingDB Entry DOI: 10.7270/Q20865VX
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))		BDBM50124864
PNG
((2S,3S)-2-[3,4-bis(sulfonatooxy)phenyl]-3,5-bis(su...)
Show SMILES [O-]S(=O)(=O)O[C@H]1Cc2c(OS([O-])(=O)=O)cc(OS([O-])(=O)=O)cc2O[C@H]1c1ccc(OS([O-])(=O)=O)c(OS([O-])(=O)=O)c1
Show InChI InChI=1S/C15H14O21S5/c16-37(17,18)32-8-4-11-9(12(5-8)34-39(22,23)24)6-14(36-41(28,29)30)15(31-11)7-1-2-10(33-38(19,20)21)13(3-7)35-40(25,26)27/h1-5,14-15H,6H2,(H,16,17,18)(H,19,20,21)(H,22,23,24)(H,25,26,27)(H,28,29,30)/p-5/t14-,15-/m0/s1
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n/an/an/a 1.07E+4n/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Equilibrium dissociation constant of factor Xa inhibition

Bioorg Med Chem Lett 13: 679-83 (2003)


BindingDB Entry DOI: 10.7270/Q20865VX
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))		BDBM50118798
PNG
((+/-)-CS Sulfuric acid mono-[2-(3,4-bis-sulfooxy -...)
Show SMILES [O-]S(=O)(=O)O[C@@H]1Cc2c(OS([O-])(=O)=O)cc(OS([O-])(=O)=O)cc2O[C@H]1c1ccc(OS([O-])(=O)=O)c(OS([O-])(=O)=O)c1
Show InChI InChI=1S/C15H14O21S5/c16-37(17,18)32-8-4-11-9(12(5-8)34-39(22,23)24)6-14(36-41(28,29)30)15(31-11)7-1-2-10(33-38(19,20)21)13(3-7)35-40(25,26)27/h1-5,14-15H,6H2,(H,16,17,18)(H,19,20,21)(H,22,23,24)(H,25,26,27)(H,28,29,30)/p-5/t14-,15+/m1/s1
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n/an/an/a 3.50E+3n/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Equilibrium dissociation constant of factor Xa inhibition

Bioorg Med Chem Lett 13: 679-83 (2003)


BindingDB Entry DOI: 10.7270/Q20865VX
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))		BDBM50124861
PNG
(2-[2,4-bis(sulfonatooxy)phenyl]-4-oxo-3,5-bis(sulf...)
Show SMILES [O-]S(=O)(=O)Oc1ccc(c(OS([O-])(=O)=O)c1)-c1oc2cc(OS([O-])(=O)=O)cc(OS([O-])(=O)=O)c2c(=O)c1OS([O-])(=O)=O
Show InChI InChI=1S/C15H10O22S5/c16-13-12-10(4-7(34-39(20,21)22)5-11(12)36-41(26,27)28)32-14(15(13)37-42(29,30)31)8-2-1-6(33-38(17,18)19)3-9(8)35-40(23,24)25/h1-5H,(H,17,18,19)(H,20,21,22)(H,23,24,25)(H,26,27,28)(H,29,30,31)/p-5
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n/an/an/a 1.80E+3n/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Equilibrium dissociation constant of factor Xa inhibition

Bioorg Med Chem Lett 13: 679-83 (2003)


BindingDB Entry DOI: 10.7270/Q20865VX
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))		BDBM50421637
PNG
(CHEMBL2303826)
Show SMILES CO[C@@H]1O[C@H]([C@@H](O[C@H]2OC(COS(O)(=O)=O)=C[C@H](OS(O)(=O)=O)[C@H]2NS(O)(=O)=O)[C@H](O)[C@H]1OS(O)(=O)=O)C(O)=O |r,c:15|
Show InChI InChI=1S/C13H21NO22S4/c1-30-13-9(36-40(27,28)29)7(15)8(10(34-13)11(16)17)33-12-6(14-37(18,19)20)5(35-39(24,25)26)2-4(32-12)3-31-38(21,22)23/h2,5-10,12-15H,3H2,1H3,(H,16,17)(H,18,19,20)(H,21,22,23)(H,24,25,26)(H,27,28,29)/t5-,6+,7-,8-,9+,10+,12+,13+/m0/s1
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n/an/an/a 9.50E+4n/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Equilibrium dissociation constant of factor Xa inhibition

Bioorg Med Chem Lett 13: 679-83 (2003)


BindingDB Entry DOI: 10.7270/Q20865VX
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%