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PubMed code 21714536

Compile data set for download or QSAR
Found 25 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))
BDBM50350225
PNG
(CHEMBL1812012)
Show SMILES COc1cc2oc(C)c(C(=O)OC(C)(C)C)c2cc1OCc1oc2cc(OC)c(OS([O-])(=O)=O)cc2c1C(=O)OC(C)(C)C
Show InChI InChI=1S/C30H34O13S/c1-15-25(27(31)41-29(2,3)4)16-10-22(20(36-8)12-18(16)39-15)38-14-24-26(28(32)42-30(5,6)7)17-11-23(43-44(33,34)35)21(37-9)13-19(17)40-24/h10-13H,14H2,1-9H3,(H,33,34,35)/p-1
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n/an/a 7.30E+3n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition of human alpha-thrombin assessed as spectrozyme TH hydrolysis after 10 mins by spectrophotometric analysis


J Med Chem 54: 5522-31 (2011)

Checked by Author
Article DOI: 10.1021/jm2005767
BindingDB Entry DOI: 10.7270/Q26T0N12
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50350228
PNG
(CHEMBL1812015)
Show SMILES CCOC(=O)c1c(C)oc2cc(OC(C)C)c(OCc3oc4cc(OC(C)C)c(OS([O-])(=O)=O)cc4c3C(=O)OCC)cc12
Show InChI InChI=1S/C30H34O13S/c1-8-36-29(31)27-17(7)41-20-12-23(39-15(3)4)22(10-18(20)27)38-14-26-28(30(32)37-9-2)19-11-25(43-44(33,34)35)24(40-16(5)6)13-21(19)42-26/h10-13,15-16H,8-9,14H2,1-7H3,(H,33,34,35)/p-1
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n/an/a 3.00E+4n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition of human alpha-thrombin assessed as spectrozyme TH hydrolysis after 10 mins by spectrophotometric analysis


J Med Chem 54: 5522-31 (2011)

Checked by Author
Article DOI: 10.1021/jm2005767
BindingDB Entry DOI: 10.7270/Q26T0N12
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50350224
PNG
(CHEMBL1812011)
Show SMILES COC(=O)c1c(C)oc2cc(OC)c(OCc3oc4cc(OC)c(OS([O-])(=O)=O)cc4c3C(=O)OC)cc12
Show InChI InChI=1S/C24H22O13S/c1-11-21(23(25)32-4)12-6-18(16(30-2)8-14(12)35-11)34-10-20-22(24(26)33-5)13-7-19(37-38(27,28)29)17(31-3)9-15(13)36-20/h6-9H,10H2,1-5H3,(H,27,28,29)/p-1
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n/an/a 3.70E+4n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition of human alpha-thrombin assessed as spectrozyme TH hydrolysis after 10 mins by spectrophotometric analysis


J Med Chem 54: 5522-31 (2011)

Checked by Author
Article DOI: 10.1021/jm2005767
BindingDB Entry DOI: 10.7270/Q26T0N12
More data for this
Ligand-Target Pair
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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n/an/a 6.00E+4n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition of human alpha-thrombin assessed as spectrozyme TH hydrolysis after 10 mins by spectrophotometric analysis


J Med Chem 54: 5522-31 (2011)

Checked by Author
Article DOI: 10.1021/jm2005767
BindingDB Entry DOI: 10.7270/Q26T0N12
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50350234
PNG
(CHEMBL1812021)
Show SMILES CCOC(=O)c1c(C)oc2cc(OCc3oc4cc(OC)c(OS([O-])(=O)=O)cc4c3C(=O)OCC)c(OC)cc12
Show InChI InChI=1S/C26H26O13S/c1-6-34-25(27)23-13(3)37-16-11-20(18(32-4)8-14(16)23)36-12-22-24(26(28)35-7-2)15-9-21(39-40(29,30)31)19(33-5)10-17(15)38-22/h8-11H,6-7,12H2,1-5H3,(H,29,30,31)/p-1
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n/an/a 8.90E+4n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition of human alpha-thrombin assessed as spectrozyme TH hydrolysis after 10 mins by spectrophotometric analysis


J Med Chem 54: 5522-31 (2011)

Checked by Author
Article DOI: 10.1021/jm2005767
BindingDB Entry DOI: 10.7270/Q26T0N12
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50350227
PNG
(CHEMBL1812014)
Show SMILES CCOC(=O)c1c(C)oc2cc(OCC)c(OCc3oc4cc(OCC)c(OS([O-])(=O)=O)cc4c3C(=O)OCC)cc12
Show InChI InChI=1S/C28H30O13S/c1-6-34-21-12-18-16(25(15(5)39-18)27(29)36-8-3)10-20(21)38-14-24-26(28(30)37-9-4)17-11-23(41-42(31,32)33)22(35-7-2)13-19(17)40-24/h10-13H,6-9,14H2,1-5H3,(H,31,32,33)/p-1
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n/an/a 1.21E+5n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition of human alpha-thrombin assessed as spectrozyme TH hydrolysis after 10 mins by spectrophotometric analysis


J Med Chem 54: 5522-31 (2011)

Checked by Author
Article DOI: 10.1021/jm2005767
BindingDB Entry DOI: 10.7270/Q26T0N12
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50350229
PNG
(CHEMBL1812016)
Show SMILES CCOC(=O)c1c(COc2cc3c(C(=O)OCC)c(CN4CCOCC4)oc3cc2OC)oc2cc(OC)c(OS([O-])(=O)=O)cc12
Show InChI InChI=1S/C30H33NO14S/c1-5-40-29(32)27-17-11-23(21(37-3)13-19(17)43-25(27)15-31-7-9-39-10-8-31)42-16-26-28(30(33)41-6-2)18-12-24(45-46(34,35)36)22(38-4)14-20(18)44-26/h11-14H,5-10,15-16H2,1-4H3,(H,34,35,36)/p-1
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n/an/a 1.29E+5n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition of human alpha-thrombin assessed as spectrozyme TH hydrolysis after 10 mins by spectrophotometric analysis


J Med Chem 54: 5522-31 (2011)

Checked by Author
Article DOI: 10.1021/jm2005767
BindingDB Entry DOI: 10.7270/Q26T0N12
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50350233
PNG
(CHEMBL1812020)
Show SMILES CCOC(=O)c1c(C)oc2cc(OC)c(OCc3oc4cc(OS([O-])(=O)=O)c(OS([O-])(=O)=O)cc4c3C(=O)OCC)cc12
Show InChI InChI=1S/C25H24O16S2/c1-5-35-24(26)22-12(3)38-15-9-17(34-4)18(7-13(15)22)37-11-21-23(25(27)36-6-2)14-8-19(40-42(28,29)30)20(10-16(14)39-21)41-43(31,32)33/h7-10H,5-6,11H2,1-4H3,(H,28,29,30)(H,31,32,33)/p-2
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n/an/a 3.65E+5n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition of human alpha-thrombin assessed as spectrozyme TH hydrolysis after 10 mins by spectrophotometric analysis


J Med Chem 54: 5522-31 (2011)

Checked by Author
Article DOI: 10.1021/jm2005767
BindingDB Entry DOI: 10.7270/Q26T0N12
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50350231
PNG
(CHEMBL1812018)
Show SMILES COc1cc2oc(C)c(C(O)=O)c2cc1OCc1oc2cc(OC)c(OS([O-])(=O)=O)cc2c1C(O)=O
Show InChI InChI=1S/C22H18O13S/c1-9-19(21(23)24)10-4-16(14(30-2)6-12(10)33-9)32-8-18-20(22(25)26)11-5-17(35-36(27,28)29)15(31-3)7-13(11)34-18/h4-7H,8H2,1-3H3,(H,23,24)(H,25,26)(H,27,28,29)/p-1
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n/an/a 3.74E+5n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition of human alpha-thrombin assessed as spectrozyme TH hydrolysis after 10 mins by spectrophotometric analysis


J Med Chem 54: 5522-31 (2011)

Checked by Author
Article DOI: 10.1021/jm2005767
BindingDB Entry DOI: 10.7270/Q26T0N12
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50350226
PNG
(CHEMBL1812013)
Show SMILES COCCOC(=O)c1c(C)oc2cc(OC)c(OCc3oc4cc(OC)c(OS([O-])(=O)=O)cc4c3C(=O)OCCOC)cc12
Show InChI InChI=1S/C28H30O15S/c1-15-25(27(29)38-8-6-34-2)16-10-22(20(36-4)12-18(16)41-15)40-14-24-26(28(30)39-9-7-35-3)17-11-23(43-44(31,32)33)21(37-5)13-19(17)42-24/h10-13H,6-9,14H2,1-5H3,(H,31,32,33)/p-1
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n/an/a 3.75E+5n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition of human alpha-thrombin assessed as spectrozyme TH hydrolysis after 10 mins by spectrophotometric analysis


J Med Chem 54: 5522-31 (2011)

Checked by Author
Article DOI: 10.1021/jm2005767
BindingDB Entry DOI: 10.7270/Q26T0N12
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50350218
PNG
(CHEMBL1812005)
Show SMILES CCOC(=O)c1c(C)oc2cc(OC(=O)c3ccc(OC)cc3)c(OS([O-])(=O)=O)cc12
Show InChI InChI=1S/C20H18O10S/c1-4-27-20(22)18-11(2)28-15-10-16(17(9-14(15)18)30-31(23,24)25)29-19(21)12-5-7-13(26-3)8-6-12/h5-10H,4H2,1-3H3,(H,23,24,25)/p-1
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n/an/a 5.20E+5n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition of human alpha-thrombin assessed as spectrozyme TH hydrolysis after 10 mins by spectrophotometric analysis


J Med Chem 54: 5522-31 (2011)

Checked by Author
Article DOI: 10.1021/jm2005767
BindingDB Entry DOI: 10.7270/Q26T0N12
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50350232
PNG
(CHEMBL1812019)
Show SMILES CCOC(=O)c1c(C)oc2cc(OCc3oc4cc(OC)c(OS([O-])(=O)=O)cc4c3C(=O)OCC)c(OS([O-])(=O)=O)cc12
Show InChI InChI=1S/C25H24O16S2/c1-5-35-24(26)22-12(3)38-15-10-18(20(7-13(15)22)41-43(31,32)33)37-11-21-23(25(27)36-6-2)14-8-19(40-42(28,29)30)17(34-4)9-16(14)39-21/h7-10H,5-6,11H2,1-4H3,(H,28,29,30)(H,31,32,33)/p-2
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n/an/a 7.64E+5n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition of human alpha-thrombin assessed as spectrozyme TH hydrolysis after 10 mins by spectrophotometric analysis


J Med Chem 54: 5522-31 (2011)

Checked by Author
Article DOI: 10.1021/jm2005767
BindingDB Entry DOI: 10.7270/Q26T0N12
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50350221
PNG
(CHEMBL1812008)
Show SMILES COc1cc2oc(C)c(C(=O)N3CCCCC3)c2cc1OS([O-])(=O)=O
Show InChI InChI=1S/C16H19NO7S/c1-10-15(16(18)17-6-4-3-5-7-17)11-8-14(24-25(19,20)21)13(22-2)9-12(11)23-10/h8-9H,3-7H2,1-2H3,(H,19,20,21)/p-1
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n/an/a>2.00E+6n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition of human alpha-thrombin assessed as spectrozyme TH hydrolysis after 10 mins by spectrophotometric analysis


J Med Chem 54: 5522-31 (2011)

Checked by Author
Article DOI: 10.1021/jm2005767
BindingDB Entry DOI: 10.7270/Q26T0N12
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50350213
PNG
(CHEMBL1812000)
Show SMILES COCCOC(=O)c1c(C)oc2cc(OC)c(OS([O-])(=O)=O)cc12
Show InChI InChI=1S/C14H16O9S/c1-8-13(14(15)21-5-4-19-2)9-6-12(23-24(16,17)18)11(20-3)7-10(9)22-8/h6-7H,4-5H2,1-3H3,(H,16,17,18)/p-1
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n/an/a>2.00E+6n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition of human alpha-thrombin assessed as spectrozyme TH hydrolysis after 10 mins by spectrophotometric analysis


J Med Chem 54: 5522-31 (2011)

Checked by Author
Article DOI: 10.1021/jm2005767
BindingDB Entry DOI: 10.7270/Q26T0N12
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50350220
PNG
(CHEMBL1812007)
Show SMILES COc1cc2oc(C)c(C(=O)N3CCOCC3)c2cc1OS([O-])(=O)=O
Show InChI InChI=1S/C15H17NO8S/c1-9-14(15(17)16-3-5-22-6-4-16)10-7-13(24-25(18,19)20)12(21-2)8-11(10)23-9/h7-8H,3-6H2,1-2H3,(H,18,19,20)/p-1
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n/an/a>2.00E+6n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition of human alpha-thrombin assessed as spectrozyme TH hydrolysis after 10 mins by spectrophotometric analysis


J Med Chem 54: 5522-31 (2011)

Checked by Author
Article DOI: 10.1021/jm2005767
BindingDB Entry DOI: 10.7270/Q26T0N12
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50350217
PNG
(CHEMBL1812004)
Show SMILES CCOC(=O)c1c(C)oc2cc(OC(=O)N3CCOCC3)c(OS([O-])(=O)=O)cc12
Show InChI InChI=1S/C17H19NO10S/c1-3-25-16(19)15-10(2)26-12-9-13(14(8-11(12)15)28-29(21,22)23)27-17(20)18-4-6-24-7-5-18/h8-9H,3-7H2,1-2H3,(H,21,22,23)/p-1
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n/an/a 2.50E+6n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition of human alpha-thrombin assessed as spectrozyme TH hydrolysis after 10 mins by spectrophotometric analysis


J Med Chem 54: 5522-31 (2011)

Checked by Author
Article DOI: 10.1021/jm2005767
BindingDB Entry DOI: 10.7270/Q26T0N12
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50350210
PNG
(CHEMBL1814791)
Show SMILES CCOC(=O)c1c(C)oc2cc(OC)c(OS([O-])(=O)=O)cc12
Show InChI InChI=1S/C13H14O8S/c1-4-19-13(14)12-7(2)20-9-6-10(18-3)11(5-8(9)12)21-22(15,16)17/h5-6H,4H2,1-3H3,(H,15,16,17)/p-1
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n/an/a>2.50E+6n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition of human alpha-thrombin assessed as spectrozyme TH hydrolysis after 10 mins by spectrophotometric analysis


J Med Chem 54: 5522-31 (2011)

Checked by Author
Article DOI: 10.1021/jm2005767
BindingDB Entry DOI: 10.7270/Q26T0N12
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50350212
PNG
(CHEMBL1811999)
Show SMILES COc1cc2oc(C)c(C(=O)OC(C)(C)C)c2cc1OS([O-])(=O)=O
Show InChI InChI=1S/C15H18O8S/c1-8-13(14(16)22-15(2,3)4)9-6-12(23-24(17,18)19)11(20-5)7-10(9)21-8/h6-7H,1-5H3,(H,17,18,19)/p-1
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n/an/a>3.00E+6n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition of human alpha-thrombin assessed as spectrozyme TH hydrolysis after 10 mins by spectrophotometric analysis


J Med Chem 54: 5522-31 (2011)

Checked by Author
Article DOI: 10.1021/jm2005767
BindingDB Entry DOI: 10.7270/Q26T0N12
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50350219
PNG
(CHEMBL1812006)
Show SMILES COc1cc2oc(C)c(C(=O)OCC=C)c2cc1OS([O-])(=O)=O
Show InChI InChI=1S/C14H14O8S/c1-4-5-20-14(15)13-8(2)21-10-7-11(19-3)12(6-9(10)13)22-23(16,17)18/h4,6-7H,1,5H2,2-3H3,(H,16,17,18)/p-1
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n/an/a>3.00E+6n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition of human alpha-thrombin assessed as spectrozyme TH hydrolysis after 10 mins by spectrophotometric analysis


J Med Chem 54: 5522-31 (2011)

Checked by Author
Article DOI: 10.1021/jm2005767
BindingDB Entry DOI: 10.7270/Q26T0N12
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50350211
PNG
(CHEMBL1811998)
Show SMILES COC(=O)c1c(C)oc2cc(OC)c(OS([O-])(=O)=O)cc12
Show InChI InChI=1S/C12H12O8S/c1-6-11(12(13)18-3)7-4-10(20-21(14,15)16)9(17-2)5-8(7)19-6/h4-5H,1-3H3,(H,14,15,16)/p-1
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n/an/a>3.00E+6n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition of human alpha-thrombin assessed as spectrozyme TH hydrolysis after 10 mins by spectrophotometric analysis


J Med Chem 54: 5522-31 (2011)

Checked by Author
Article DOI: 10.1021/jm2005767
BindingDB Entry DOI: 10.7270/Q26T0N12
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50350222
PNG
(CHEMBL1812009)
Show SMILES CCOC(=O)c1c(CN2CCOCC2)oc2cc(OC)c(OS([O-])(=O)=O)cc12
Show InChI InChI=1S/C17H21NO9S/c1-3-25-17(19)16-11-8-14(27-28(20,21)22)13(23-2)9-12(11)26-15(16)10-18-4-6-24-7-5-18/h8-9H,3-7,10H2,1-2H3,(H,20,21,22)/p-1
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n/an/a>7.00E+6n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition of human alpha-thrombin assessed as spectrozyme TH hydrolysis after 10 mins by spectrophotometric analysis


J Med Chem 54: 5522-31 (2011)

Checked by Author
Article DOI: 10.1021/jm2005767
BindingDB Entry DOI: 10.7270/Q26T0N12
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50350230
PNG
(CHEMBL1812017)
Show SMILES COc1cc2oc(C)c(C(=O)N3CCOCC3)c2cc1OCc1oc2cc(OC)c(OS([O-])(=O)=O)cc2c1C(=O)N1CCOCC1
Show InChI InChI=1S/C30H32N2O13S/c1-17-27(29(33)31-4-8-40-9-5-31)18-12-24(22(38-2)14-20(18)43-17)42-16-26-28(30(34)32-6-10-41-11-7-32)19-13-25(45-46(35,36)37)23(39-3)15-21(19)44-26/h12-15H,4-11,16H2,1-3H3,(H,35,36,37)/p-1
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n/an/a>7.10E+6n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition of human alpha-thrombin assessed as spectrozyme TH hydrolysis after 10 mins by spectrophotometric analysis


J Med Chem 54: 5522-31 (2011)

Checked by Author
Article DOI: 10.1021/jm2005767
BindingDB Entry DOI: 10.7270/Q26T0N12
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50350215
PNG
(CHEMBL1812002)
Show SMILES CCOC(=O)c1c(C)oc2cc(OC(C)C)c(OS([O-])(=O)=O)cc12
Show InChI InChI=1S/C15H18O8S/c1-5-20-15(16)14-9(4)22-11-7-12(21-8(2)3)13(6-10(11)14)23-24(17,18)19/h6-8H,5H2,1-4H3,(H,17,18,19)/p-1
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n/an/a 1.37E+7n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition of human alpha-thrombin assessed as spectrozyme TH hydrolysis after 10 mins by spectrophotometric analysis


J Med Chem 54: 5522-31 (2011)

Checked by Author
Article DOI: 10.1021/jm2005767
BindingDB Entry DOI: 10.7270/Q26T0N12
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50350216
PNG
(CHEMBL1812003)
Show SMILES CCOC(=O)c1c(C)oc2cc(OCOC)c(OS([O-])(=O)=O)cc12
Show InChI InChI=1S/C14H16O9S/c1-4-20-14(15)13-8(2)22-10-6-11(21-7-19-3)12(5-9(10)13)23-24(16,17)18/h5-6H,4,7H2,1-3H3,(H,16,17,18)/p-1
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n/an/a>1.60E+7n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition of human alpha-thrombin assessed as spectrozyme TH hydrolysis after 10 mins by spectrophotometric analysis


J Med Chem 54: 5522-31 (2011)

Checked by Author
Article DOI: 10.1021/jm2005767
BindingDB Entry DOI: 10.7270/Q26T0N12
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50350214
PNG
(CHEMBL1812001)
Show SMILES CCOC(=O)c1c(C)oc2cc(OCC)c(OS([O-])(=O)=O)cc12
Show InChI InChI=1S/C14H16O8S/c1-4-19-11-7-10-9(6-12(11)22-23(16,17)18)13(8(3)21-10)14(15)20-5-2/h6-7H,4-5H2,1-3H3,(H,16,17,18)/p-1
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n/an/a 2.06E+7n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition of human alpha-thrombin assessed as spectrozyme TH hydrolysis after 10 mins by spectrophotometric analysis


J Med Chem 54: 5522-31 (2011)

Checked by Author
Article DOI: 10.1021/jm2005767
BindingDB Entry DOI: 10.7270/Q26T0N12
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%