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PubMed code 17420122

Compile data set for download or QSAR
Found 18 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))
BDBM50206984
PNG
((2R)-2-(5-CHLORO-2-THIENYL)-N-{(3S)-1-[(1S)-1-METH...)
Show SMILES C[C@H](N1CC[C@H](NS(=O)(=O)\C=C(/C)c2ccc(Cl)s2)C1=O)C(=O)N1CCOCC1
Show InChI InChI=1S/C18H24ClN3O5S2/c1-12(15-3-4-16(19)28-15)11-29(25,26)20-14-5-6-22(18(14)24)13(2)17(23)21-7-9-27-10-8-21/h3-4,11,13-14,20H,5-10H2,1-2H3/b12-11+/t13-,14-/m0/s1
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PubMed
2n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of factor 10a by fluorogenic assay


Bioorg Med Chem Lett 17: 2927-30 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.080
BindingDB Entry DOI: 10.7270/Q22V2FTR
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prothrombin


(Homo sapiens (Human))
BDBM50206984
PNG
((2R)-2-(5-CHLORO-2-THIENYL)-N-{(3S)-1-[(1S)-1-METH...)
Show SMILES C[C@H](N1CC[C@H](NS(=O)(=O)\C=C(/C)c2ccc(Cl)s2)C1=O)C(=O)N1CCOCC1
Show InChI InChI=1S/C18H24ClN3O5S2/c1-12(15-3-4-16(19)28-15)11-29(25,26)20-14-5-6-22(18(14)24)13(2)17(23)21-7-9-27-10-8-21/h3-4,11,13-14,20H,5-10H2,1-2H3/b12-11+/t13-,14-/m0/s1
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2n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of thrombin by fluorogenic assay


Bioorg Med Chem Lett 17: 2927-30 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.080
BindingDB Entry DOI: 10.7270/Q22V2FTR
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Coagulation factor X


(Homo sapiens (Human))
BDBM17643
PNG
((E)-2-(5-chlorothiophen-2-yl)-N-[(3S)-1-[(2S)-1-(m...)
Show SMILES C[C@H](N1CC[C@H](NS(=O)(=O)\C=C\c2ccc(Cl)s2)C1=O)C(=O)N1CCOCC1 |r|
Show InChI InChI=1S/C17H22ClN3O5S2/c1-12(16(22)20-7-9-26-10-8-20)21-6-4-14(17(21)23)19-28(24,25)11-5-13-2-3-15(18)27-13/h2-3,5,11-12,14,19H,4,6-10H2,1H3/b11-5+/t12-,14-/m0/s1
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4n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of factor 10a by fluorogenic assay


Bioorg Med Chem Lett 17: 2927-30 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.080
BindingDB Entry DOI: 10.7270/Q22V2FTR
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prothrombin


(Homo sapiens (Human))
BDBM50206985
PNG
(2-(5-CHLORO-2-THIENYL)-N-{(3S)-1-[(1S)-1-METHYL-2-...)
Show SMILES C[C@H](N1CC[C@H](NS(=O)(=O)CCc2ccc(Cl)s2)C1=O)C(=O)N1CCOCC1
Show InChI InChI=1S/C17H24ClN3O5S2/c1-12(16(22)20-7-9-26-10-8-20)21-6-4-14(17(21)23)19-28(24,25)11-5-13-2-3-15(18)27-13/h2-3,12,14,19H,4-11H2,1H3/t12-,14-/m0/s1
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17n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of thrombin by fluorogenic assay


Bioorg Med Chem Lett 17: 2927-30 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.080
BindingDB Entry DOI: 10.7270/Q22V2FTR
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Coagulation factor X


(Homo sapiens (Human))
BDBM50206985
PNG
(2-(5-CHLORO-2-THIENYL)-N-{(3S)-1-[(1S)-1-METHYL-2-...)
Show SMILES C[C@H](N1CC[C@H](NS(=O)(=O)CCc2ccc(Cl)s2)C1=O)C(=O)N1CCOCC1
Show InChI InChI=1S/C17H24ClN3O5S2/c1-12(16(22)20-7-9-26-10-8-20)21-6-4-14(17(21)23)19-28(24,25)11-5-13-2-3-15(18)27-13/h2-3,12,14,19H,4-11H2,1H3/t12-,14-/m0/s1
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154n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of factor 10a by fluorogenic assay


Bioorg Med Chem Lett 17: 2927-30 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.080
BindingDB Entry DOI: 10.7270/Q22V2FTR
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prothrombin


(Homo sapiens (Human))
BDBM17643
PNG
((E)-2-(5-chlorothiophen-2-yl)-N-[(3S)-1-[(2S)-1-(m...)
Show SMILES C[C@H](N1CC[C@H](NS(=O)(=O)\C=C\c2ccc(Cl)s2)C1=O)C(=O)N1CCOCC1 |r|
Show InChI InChI=1S/C17H22ClN3O5S2/c1-12(16(22)20-7-9-26-10-8-20)21-6-4-14(17(21)23)19-28(24,25)11-5-13-2-3-15(18)27-13/h2-3,5,11-12,14,19H,4,6-10H2,1H3/b11-5+/t12-,14-/m0/s1
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367n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of thrombin by fluorogenic assay


Bioorg Med Chem Lett 17: 2927-30 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.080
BindingDB Entry DOI: 10.7270/Q22V2FTR
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Plasma kallikrein


(Homo sapiens (Human))
BDBM50206984
PNG
((2R)-2-(5-CHLORO-2-THIENYL)-N-{(3S)-1-[(1S)-1-METH...)
Show SMILES C[C@H](N1CC[C@H](NS(=O)(=O)\C=C(/C)c2ccc(Cl)s2)C1=O)C(=O)N1CCOCC1
Show InChI InChI=1S/C18H24ClN3O5S2/c1-12(15-3-4-16(19)28-15)11-29(25,26)20-14-5-6-22(18(14)24)13(2)17(23)21-7-9-27-10-8-21/h3-4,11,13-14,20H,5-10H2,1-2H3/b12-11+/t13-,14-/m0/s1
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n/an/a 5.01E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of kallikrein by fluorogenic assay


Bioorg Med Chem Lett 17: 2927-30 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.080
BindingDB Entry DOI: 10.7270/Q22V2FTR
More data for this
Ligand-Target Pair
Tissue-type plasminogen activator


(Homo sapiens (Human))
BDBM50206984
PNG
((2R)-2-(5-CHLORO-2-THIENYL)-N-{(3S)-1-[(1S)-1-METH...)
Show SMILES C[C@H](N1CC[C@H](NS(=O)(=O)\C=C(/C)c2ccc(Cl)s2)C1=O)C(=O)N1CCOCC1
Show InChI InChI=1S/C18H24ClN3O5S2/c1-12(15-3-4-16(19)28-15)11-29(25,26)20-14-5-6-22(18(14)24)13(2)17(23)21-7-9-27-10-8-21/h3-4,11,13-14,20H,5-10H2,1-2H3/b12-11+/t13-,14-/m0/s1
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n/an/a 5.01E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of tissue plasminogen activator by fluorogenic assay


Bioorg Med Chem Lett 17: 2927-30 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.080
BindingDB Entry DOI: 10.7270/Q22V2FTR
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM17643
PNG
((E)-2-(5-chlorothiophen-2-yl)-N-[(3S)-1-[(2S)-1-(m...)
Show SMILES C[C@H](N1CC[C@H](NS(=O)(=O)\C=C\c2ccc(Cl)s2)C1=O)C(=O)N1CCOCC1 |r|
Show InChI InChI=1S/C17H22ClN3O5S2/c1-12(16(22)20-7-9-26-10-8-20)21-6-4-14(17(21)23)19-28(24,25)11-5-13-2-3-15(18)27-13/h2-3,5,11-12,14,19H,4,6-10H2,1H3/b11-5+/t12-,14-/m0/s1
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n/an/a 1.58E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of kallikrein by fluorogenic assay


Bioorg Med Chem Lett 17: 2927-30 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.080
BindingDB Entry DOI: 10.7270/Q22V2FTR
More data for this
Ligand-Target Pair
Vitamin K-dependent protein C


(Homo sapiens (Human))
BDBM17643
PNG
((E)-2-(5-chlorothiophen-2-yl)-N-[(3S)-1-[(2S)-1-(m...)
Show SMILES C[C@H](N1CC[C@H](NS(=O)(=O)\C=C\c2ccc(Cl)s2)C1=O)C(=O)N1CCOCC1 |r|
Show InChI InChI=1S/C17H22ClN3O5S2/c1-12(16(22)20-7-9-26-10-8-20)21-6-4-14(17(21)23)19-28(24,25)11-5-13-2-3-15(18)27-13/h2-3,5,11-12,14,19H,4,6-10H2,1H3/b11-5+/t12-,14-/m0/s1
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n/an/a>2.00E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of activated protein C by fluorogenic assay


Bioorg Med Chem Lett 17: 2927-30 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.080
BindingDB Entry DOI: 10.7270/Q22V2FTR
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50206984
PNG
((2R)-2-(5-CHLORO-2-THIENYL)-N-{(3S)-1-[(1S)-1-METH...)
Show SMILES C[C@H](N1CC[C@H](NS(=O)(=O)\C=C(/C)c2ccc(Cl)s2)C1=O)C(=O)N1CCOCC1
Show InChI InChI=1S/C18H24ClN3O5S2/c1-12(15-3-4-16(19)28-15)11-29(25,26)20-14-5-6-22(18(14)24)13(2)17(23)21-7-9-27-10-8-21/h3-4,11,13-14,20H,5-10H2,1-2H3/b12-11+/t13-,14-/m0/s1
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n/an/a>2.00E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of plasmin by fluorogenic assay


Bioorg Med Chem Lett 17: 2927-30 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.080
BindingDB Entry DOI: 10.7270/Q22V2FTR
More data for this
Ligand-Target Pair
Vitamin K-dependent protein C


(Homo sapiens (Human))
BDBM50206984
PNG
((2R)-2-(5-CHLORO-2-THIENYL)-N-{(3S)-1-[(1S)-1-METH...)
Show SMILES C[C@H](N1CC[C@H](NS(=O)(=O)\C=C(/C)c2ccc(Cl)s2)C1=O)C(=O)N1CCOCC1
Show InChI InChI=1S/C18H24ClN3O5S2/c1-12(15-3-4-16(19)28-15)11-29(25,26)20-14-5-6-22(18(14)24)13(2)17(23)21-7-9-27-10-8-21/h3-4,11,13-14,20H,5-10H2,1-2H3/b12-11+/t13-,14-/m0/s1
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n/an/a>2.51E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of activated protein C by fluorogenic assay


Bioorg Med Chem Lett 17: 2927-30 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.080
BindingDB Entry DOI: 10.7270/Q22V2FTR
More data for this
Ligand-Target Pair
Vitamin K-dependent protein C


(Homo sapiens (Human))
BDBM50206985
PNG
(2-(5-CHLORO-2-THIENYL)-N-{(3S)-1-[(1S)-1-METHYL-2-...)
Show SMILES C[C@H](N1CC[C@H](NS(=O)(=O)CCc2ccc(Cl)s2)C1=O)C(=O)N1CCOCC1
Show InChI InChI=1S/C17H24ClN3O5S2/c1-12(16(22)20-7-9-26-10-8-20)21-6-4-14(17(21)23)19-28(24,25)11-5-13-2-3-15(18)27-13/h2-3,12,14,19H,4-11H2,1H3/t12-,14-/m0/s1
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n/an/a>2.51E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of activated protein C by fluorogenic assay


Bioorg Med Chem Lett 17: 2927-30 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.080
BindingDB Entry DOI: 10.7270/Q22V2FTR
More data for this
Ligand-Target Pair
Tissue-type plasminogen activator


(Homo sapiens (Human))
BDBM17643
PNG
((E)-2-(5-chlorothiophen-2-yl)-N-[(3S)-1-[(2S)-1-(m...)
Show SMILES C[C@H](N1CC[C@H](NS(=O)(=O)\C=C\c2ccc(Cl)s2)C1=O)C(=O)N1CCOCC1 |r|
Show InChI InChI=1S/C17H22ClN3O5S2/c1-12(16(22)20-7-9-26-10-8-20)21-6-4-14(17(21)23)19-28(24,25)11-5-13-2-3-15(18)27-13/h2-3,5,11-12,14,19H,4,6-10H2,1H3/b11-5+/t12-,14-/m0/s1
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n/an/a>2.51E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of tissue plasminogen activator by fluorogenic assay


Bioorg Med Chem Lett 17: 2927-30 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.080
BindingDB Entry DOI: 10.7270/Q22V2FTR
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM50206985
PNG
(2-(5-CHLORO-2-THIENYL)-N-{(3S)-1-[(1S)-1-METHYL-2-...)
Show SMILES C[C@H](N1CC[C@H](NS(=O)(=O)CCc2ccc(Cl)s2)C1=O)C(=O)N1CCOCC1
Show InChI InChI=1S/C17H24ClN3O5S2/c1-12(16(22)20-7-9-26-10-8-20)21-6-4-14(17(21)23)19-28(24,25)11-5-13-2-3-15(18)27-13/h2-3,12,14,19H,4-11H2,1H3/t12-,14-/m0/s1
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n/an/a 2.51E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of kallikrein by fluorogenic assay


Bioorg Med Chem Lett 17: 2927-30 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.080
BindingDB Entry DOI: 10.7270/Q22V2FTR
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50206985
PNG
(2-(5-CHLORO-2-THIENYL)-N-{(3S)-1-[(1S)-1-METHYL-2-...)
Show SMILES C[C@H](N1CC[C@H](NS(=O)(=O)CCc2ccc(Cl)s2)C1=O)C(=O)N1CCOCC1
Show InChI InChI=1S/C17H24ClN3O5S2/c1-12(16(22)20-7-9-26-10-8-20)21-6-4-14(17(21)23)19-28(24,25)11-5-13-2-3-15(18)27-13/h2-3,12,14,19H,4-11H2,1H3/t12-,14-/m0/s1
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n/an/a>2.51E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of plasmin by fluorogenic assay


Bioorg Med Chem Lett 17: 2927-30 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.080
BindingDB Entry DOI: 10.7270/Q22V2FTR
More data for this
Ligand-Target Pair
Tissue-type plasminogen activator


(Homo sapiens (Human))
BDBM50206985
PNG
(2-(5-CHLORO-2-THIENYL)-N-{(3S)-1-[(1S)-1-METHYL-2-...)
Show SMILES C[C@H](N1CC[C@H](NS(=O)(=O)CCc2ccc(Cl)s2)C1=O)C(=O)N1CCOCC1
Show InChI InChI=1S/C17H24ClN3O5S2/c1-12(16(22)20-7-9-26-10-8-20)21-6-4-14(17(21)23)19-28(24,25)11-5-13-2-3-15(18)27-13/h2-3,12,14,19H,4-11H2,1H3/t12-,14-/m0/s1
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n/an/a>2.51E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of tissue plasminogen activator by fluorogenic assay


Bioorg Med Chem Lett 17: 2927-30 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.080
BindingDB Entry DOI: 10.7270/Q22V2FTR
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM17643
PNG
((E)-2-(5-chlorothiophen-2-yl)-N-[(3S)-1-[(2S)-1-(m...)
Show SMILES C[C@H](N1CC[C@H](NS(=O)(=O)\C=C\c2ccc(Cl)s2)C1=O)C(=O)N1CCOCC1 |r|
Show InChI InChI=1S/C17H22ClN3O5S2/c1-12(16(22)20-7-9-26-10-8-20)21-6-4-14(17(21)23)19-28(24,25)11-5-13-2-3-15(18)27-13/h2-3,5,11-12,14,19H,4,6-10H2,1H3/b11-5+/t12-,14-/m0/s1
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Article
PubMed
n/an/a>1.58E+5n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of plasmin by fluorogenic assay


Bioorg Med Chem Lett 17: 2927-30 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.080
BindingDB Entry DOI: 10.7270/Q22V2FTR
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%