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PubMed code 15456260

Compile data set for download or QSAR
Found 21 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))
BDBM50146534
PNG
(CHEMBL100732 | [4-(6-Chloro-naphthalene-2-sulfonyl...)
Show SMILES CN1CCc2nc(sc2C1)C(=O)N1CCN(CC1)S(=O)(=O)c1ccc2cc(Cl)ccc2c1
Show InChI InChI=1S/C22H23ClN4O3S2/c1-25-7-6-19-20(14-25)31-21(24-19)22(28)26-8-10-27(11-9-26)32(29,30)18-5-3-15-12-17(23)4-2-16(15)13-18/h2-5,12-13H,6-11,14H2,1H3
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n/an/a 22n/an/an/an/an/an/a



Daiichi Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Inhibitory concentration against Coagulation factor X


J Med Chem 47: 5167-82 (2004)


Article DOI: 10.1021/jm049884d
BindingDB Entry DOI: 10.7270/Q2V987JK
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50146536
PNG
(4-(6-Chloro-naphthalene-2-sulfonyl)-1-(5-methyl-4,...)
Show SMILES CN1CCc2nc(sc2C1)C(=O)N1CCN(CC1C(N)=O)S(=O)(=O)c1ccc2cc(Cl)ccc2c1
Show InChI InChI=1S/C23H24ClN5O4S2/c1-27-7-6-18-20(13-27)34-22(26-18)23(31)29-9-8-28(12-19(29)21(25)30)35(32,33)17-5-3-14-10-16(24)4-2-15(14)11-17/h2-5,10-11,19H,6-9,12-13H2,1H3,(H2,25,30)
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n/an/a 24n/an/an/an/an/an/a



Daiichi Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Inhibitory concentration against Coagulation factor X


J Med Chem 47: 5167-82 (2004)


Article DOI: 10.1021/jm049884d
BindingDB Entry DOI: 10.7270/Q2V987JK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Coagulation factor X


(Homo sapiens (Human))
BDBM50146535
PNG
(CHEMBL99483 | [4-(6-Chloro-naphthalene-2-sulfonyl)...)
Show SMILES Clc1ccc2cc(ccc2c1)S(=O)(=O)N1CCN(CC1)C(=O)c1nc2CCNCc2s1
Show InChI InChI=1S/C21H21ClN4O3S2/c22-16-3-1-15-12-17(4-2-14(15)11-16)31(28,29)26-9-7-25(8-10-26)21(27)20-24-18-5-6-23-13-19(18)30-20/h1-4,11-12,23H,5-10,13H2
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n/an/a 60n/an/an/an/an/an/a



Daiichi Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Inhibitory concentration against Coagulation factor X


J Med Chem 47: 5167-82 (2004)


Article DOI: 10.1021/jm049884d
BindingDB Entry DOI: 10.7270/Q2V987JK
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50154263
PNG
(4-(6-Chloro-naphthalene-2-sulfonyl)-1-(5-isopropyl...)
Show SMILES CC(C)N1CCc2nc(sc2C1)C(=O)N1CCN(CC1C(N)=O)S(=O)(=O)c1ccc2cc(Cl)ccc2c1
Show InChI InChI=1S/C25H28ClN5O4S2/c1-15(2)29-8-7-20-22(14-29)36-24(28-20)25(33)31-10-9-30(13-21(31)23(27)32)37(34,35)19-6-4-16-11-18(26)5-3-17(16)12-19/h3-6,11-12,15,21H,7-10,13-14H2,1-2H3,(H2,27,32)
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n/an/a 80n/an/an/an/an/an/a



Daiichi Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Inhibitory concentration against Coagulation factor X


J Med Chem 47: 5167-82 (2004)


Article DOI: 10.1021/jm049884d
BindingDB Entry DOI: 10.7270/Q2V987JK
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50154267
PNG
(4-(6-Chloro-naphthalene-2-sulfonyl)-1-(4,5,6,7-tet...)
Show SMILES NC(=O)C1CN(CCN1C(=O)c1nc2CCNCc2s1)S(=O)(=O)c1ccc2cc(Cl)ccc2c1
Show InChI InChI=1S/C22H22ClN5O4S2/c23-15-3-1-14-10-16(4-2-13(14)9-15)34(31,32)27-7-8-28(18(12-27)20(24)29)22(30)21-26-17-5-6-25-11-19(17)33-21/h1-4,9-10,18,25H,5-8,11-12H2,(H2,24,29)
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n/an/a 83n/an/an/an/an/an/a



Daiichi Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Inhibitory concentration against Coagulation factor X


J Med Chem 47: 5167-82 (2004)


Article DOI: 10.1021/jm049884d
BindingDB Entry DOI: 10.7270/Q2V987JK
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50154264
PNG
(CHEMBL365654 | [4-(6-Chloro-naphthalene-2-sulfonyl...)
Show SMILES CN1CCc2cc(sc2C1)C(=O)N1CCN(CC1)S(=O)(=O)c1ccc2cc(Cl)ccc2c1
Show InChI InChI=1S/C23H24ClN3O3S2/c1-25-7-6-18-14-21(31-22(18)15-25)23(28)26-8-10-27(11-9-26)32(29,30)20-5-3-16-12-19(24)4-2-17(16)13-20/h2-5,12-14H,6-11,15H2,1H3
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n/an/a 105n/an/an/an/an/an/a



Daiichi Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Inhibitory concentration against Coagulation factor X


J Med Chem 47: 5167-82 (2004)


Article DOI: 10.1021/jm049884d
BindingDB Entry DOI: 10.7270/Q2V987JK
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50154265
PNG
(4-(6-Chloro-naphthalene-2-sulfonyl)-1-(5-ethyl-4,5...)
Show SMILES CCN1CCc2nc(sc2C1)C(=O)N1CCN(CC1C(N)=O)S(=O)(=O)c1ccc2cc(Cl)ccc2c1
Show InChI InChI=1S/C24H26ClN5O4S2/c1-2-28-8-7-19-21(14-28)35-23(27-19)24(32)30-10-9-29(13-20(30)22(26)31)36(33,34)18-6-4-15-11-17(25)5-3-16(15)12-18/h3-6,11-12,20H,2,7-10,13-14H2,1H3,(H2,26,31)
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n/an/a 110n/an/an/an/an/an/a



Daiichi Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Inhibitory concentration against Coagulation factor X


J Med Chem 47: 5167-82 (2004)


Article DOI: 10.1021/jm049884d
BindingDB Entry DOI: 10.7270/Q2V987JK
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50154270
PNG
(CHEMBL182957 | [4-(6-Chloro-naphthalene-2-sulfonyl...)
Show SMILES Clc1ccc2cc(ccc2c1)S(=O)(=O)N1CCN(CC1)C(=O)c1cc2CCNCc2s1
Show InChI InChI=1S/C22H22ClN3O3S2/c23-18-3-1-16-12-19(4-2-15(16)11-18)31(28,29)26-9-7-25(8-10-26)22(27)20-13-17-5-6-24-14-21(17)30-20/h1-4,11-13,24H,5-10,14H2
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n/an/a 160n/an/an/an/an/an/a



Daiichi Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Inhibitory concentration against Coagulation factor X


J Med Chem 47: 5167-82 (2004)


Article DOI: 10.1021/jm049884d
BindingDB Entry DOI: 10.7270/Q2V987JK
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50154271
PNG
(CHEMBL185539 | [4-(6-Chloro-naphthalene-2-sulfonyl...)
Show SMILES CN1CCc2sc(cc2C1)C(=O)N1CCN(CC1)S(=O)(=O)c1ccc2cc(Cl)ccc2c1
Show InChI InChI=1S/C23H24ClN3O3S2/c1-25-7-6-21-18(15-25)14-22(31-21)23(28)26-8-10-27(11-9-26)32(29,30)20-5-3-16-12-19(24)4-2-17(16)13-20/h2-5,12-14H,6-11,15H2,1H3
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n/an/a 190n/an/an/an/an/an/a



Daiichi Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Inhibitory concentration against Coagulation factor X


J Med Chem 47: 5167-82 (2004)


Article DOI: 10.1021/jm049884d
BindingDB Entry DOI: 10.7270/Q2V987JK
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50154266
PNG
(CHEMBL181749 | [4-(6-Chloro-naphthalene-2-sulfonyl...)
Show SMILES CN1CCc2sc(nc2C1)C(=O)N1CCN(CC1)S(=O)(=O)c1ccc2cc(Cl)ccc2c1
Show InChI InChI=1S/C22H23ClN4O3S2/c1-25-7-6-20-19(14-25)24-21(31-20)22(28)26-8-10-27(11-9-26)32(29,30)18-5-3-15-12-17(23)4-2-16(15)13-18/h2-5,12-13H,6-11,14H2,1H3
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n/an/a 210n/an/an/an/an/an/a



Daiichi Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Inhibitory concentration against Coagulation factor X


J Med Chem 47: 5167-82 (2004)


Article DOI: 10.1021/jm049884d
BindingDB Entry DOI: 10.7270/Q2V987JK
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50154275
PNG
(CHEMBL183960 | [4-(6-Chloro-naphthalene-2-sulfonyl...)
Show SMILES Clc1ccc2cc(ccc2c1)S(=O)(=O)N1CCN(CC1)C(=O)c1cc2CNCCc2s1
Show InChI InChI=1S/C22H22ClN3O3S2/c23-18-3-1-16-12-19(4-2-15(16)11-18)31(28,29)26-9-7-25(8-10-26)22(27)21-13-17-14-24-6-5-20(17)30-21/h1-4,11-13,24H,5-10,14H2
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n/an/a 270n/an/an/an/an/an/a



Daiichi Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Inhibitory concentration against Coagulation factor X


J Med Chem 47: 5167-82 (2004)


Article DOI: 10.1021/jm049884d
BindingDB Entry DOI: 10.7270/Q2V987JK
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50154273
PNG
(CHEMBL365826 | [4-(6-Chloro-naphthalene-2-sulfonyl...)
Show SMILES CN1CCc2[nH]c(cc2C1)C(=O)N1CCN(CC1)S(=O)(=O)c1ccc2cc(Cl)ccc2c1
Show InChI InChI=1S/C23H25ClN4O3S/c1-26-7-6-21-18(15-26)14-22(25-21)23(29)27-8-10-28(11-9-27)32(30,31)20-5-3-16-12-19(24)4-2-17(16)13-20/h2-5,12-14,25H,6-11,15H2,1H3
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n/an/a 320n/an/an/an/an/an/a



Daiichi Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Inhibitory concentration against Coagulation factor X


J Med Chem 47: 5167-82 (2004)


Article DOI: 10.1021/jm049884d
BindingDB Entry DOI: 10.7270/Q2V987JK
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50154262
PNG
(CHEMBL185141 | [4-(6-Chloro-naphthalene-2-sulfonyl...)
Show SMILES CN1CCc2cc(oc2C1)C(=O)N1CCN(CC1)S(=O)(=O)c1ccc2cc(Cl)ccc2c1
Show InChI InChI=1S/C23H24ClN3O4S/c1-25-7-6-18-14-21(31-22(18)15-25)23(28)26-8-10-27(11-9-26)32(29,30)20-5-3-16-12-19(24)4-2-17(16)13-20/h2-5,12-14H,6-11,15H2,1H3
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n/an/a 550n/an/an/an/an/an/a



Daiichi Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Inhibitory concentration against Coagulation factor X


J Med Chem 47: 5167-82 (2004)


Article DOI: 10.1021/jm049884d
BindingDB Entry DOI: 10.7270/Q2V987JK
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50154268
PNG
(CHEMBL363048 | [4-(6-Chloro-naphthalene-2-sulfonyl...)
Show SMILES Clc1ccc2cc(ccc2c1)S(=O)(=O)N1CCN(CC1)C(=O)c1ccc2CNCCc2c1
Show InChI InChI=1S/C24H24ClN3O3S/c25-22-5-3-18-15-23(6-4-17(18)14-22)32(30,31)28-11-9-27(10-12-28)24(29)20-1-2-21-16-26-8-7-19(21)13-20/h1-6,13-15,26H,7-12,16H2
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n/an/a 640n/an/an/an/an/an/a



Daiichi Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Inhibitory concentration against Coagulation factor X


J Med Chem 47: 5167-82 (2004)


Article DOI: 10.1021/jm049884d
BindingDB Entry DOI: 10.7270/Q2V987JK
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50154272
PNG
(CHEMBL359966 | [4-(6-Chloro-naphthalene-2-sulfonyl...)
Show SMILES Clc1ccc2cc(ccc2c1)S(=O)(=O)N1CCN(CC1)C(=O)c1ccc2CNCCc2n1
Show InChI InChI=1S/C23H23ClN4O3S/c24-19-4-1-17-14-20(5-2-16(17)13-19)32(30,31)28-11-9-27(10-12-28)23(29)22-6-3-18-15-25-8-7-21(18)26-22/h1-6,13-14,25H,7-12,15H2
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n/an/a 920n/an/an/an/an/an/a



Daiichi Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Inhibitory concentration against Coagulation factor X


J Med Chem 47: 5167-82 (2004)


Article DOI: 10.1021/jm049884d
BindingDB Entry DOI: 10.7270/Q2V987JK
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50154274
PNG
(CHEMBL184478 | [4-(6-Chloro-naphthalene-2-sulfonyl...)
Show SMILES CN1CCc2cc(ccc2C1)C(=O)N1CCN(CC1)S(=O)(=O)c1ccc2cc(Cl)ccc2c1
Show InChI InChI=1S/C25H26ClN3O3S/c1-27-9-8-20-14-21(2-3-22(20)17-27)25(30)28-10-12-29(13-11-28)33(31,32)24-7-5-18-15-23(26)6-4-19(18)16-24/h2-7,14-16H,8-13,17H2,1H3
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n/an/a 1.20E+3n/an/an/an/an/an/a



Daiichi Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Inhibitory concentration against Coagulation factor X


J Med Chem 47: 5167-82 (2004)


Article DOI: 10.1021/jm049884d
BindingDB Entry DOI: 10.7270/Q2V987JK
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50154276
PNG
(CHEMBL182374 | [4-(6-Chloro-naphthalene-2-sulfonyl...)
Show SMILES CN1CCc2nc(ccc2C1)C(=O)N1CCN(CC1)S(=O)(=O)c1ccc2cc(Cl)ccc2c1
Show InChI InChI=1S/C24H25ClN4O3S/c1-27-9-8-22-19(16-27)4-7-23(26-22)24(30)28-10-12-29(13-11-28)33(31,32)21-6-3-17-14-20(25)5-2-18(17)15-21/h2-7,14-15H,8-13,16H2,1H3
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n/an/a 2.20E+3n/an/an/an/an/an/a



Daiichi Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Inhibitory concentration against Coagulation factor X


J Med Chem 47: 5167-82 (2004)


Article DOI: 10.1021/jm049884d
BindingDB Entry DOI: 10.7270/Q2V987JK
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50154269
PNG
(CHEMBL184873 | [4-(6-Chloro-naphthalene-2-sulfonyl...)
Show SMILES Clc1ccc2cc(ccc2c1)S(=O)(=O)N1CCN(CC1)C(=O)c1cc2CNCCc2[nH]1
Show InChI InChI=1S/C22H23ClN4O3S/c23-18-3-1-16-12-19(4-2-15(16)11-18)31(29,30)27-9-7-26(8-10-27)22(28)21-13-17-14-24-6-5-20(17)25-21/h1-4,11-13,24-25H,5-10,14H2
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n/an/a 6.20E+3n/an/an/an/an/an/a



Daiichi Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Inhibitory concentration against Coagulation factor X


J Med Chem 47: 5167-82 (2004)


Article DOI: 10.1021/jm049884d
BindingDB Entry DOI: 10.7270/Q2V987JK
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50146534
PNG
(CHEMBL100732 | [4-(6-Chloro-naphthalene-2-sulfonyl...)
Show SMILES CN1CCc2nc(sc2C1)C(=O)N1CCN(CC1)S(=O)(=O)c1ccc2cc(Cl)ccc2c1
Show InChI InChI=1S/C22H23ClN4O3S2/c1-25-7-6-19-20(14-25)31-21(24-19)22(28)26-8-10-27(11-9-26)32(29,30)18-5-3-15-12-17(23)4-2-16(15)13-18/h2-5,12-13H,6-11,14H2,1H3
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n/an/a 5.60E+5n/an/an/an/an/an/a



Daiichi Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Concentration required to inhibit thrombin activity by 50%


J Med Chem 47: 5167-82 (2004)


Article DOI: 10.1021/jm049884d
BindingDB Entry DOI: 10.7270/Q2V987JK
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50146536
PNG
(4-(6-Chloro-naphthalene-2-sulfonyl)-1-(5-methyl-4,...)
Show SMILES CN1CCc2nc(sc2C1)C(=O)N1CCN(CC1C(N)=O)S(=O)(=O)c1ccc2cc(Cl)ccc2c1
Show InChI InChI=1S/C23H24ClN5O4S2/c1-27-7-6-18-20(13-27)34-22(26-18)23(31)29-9-8-28(12-19(29)21(25)30)35(32,33)17-5-3-14-10-16(24)4-2-15(14)11-17/h2-5,10-11,19H,6-9,12-13H2,1H3,(H2,25,30)
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n/an/a 1.00E+6n/an/an/an/an/an/a



Daiichi Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Concentration required to inhibit thrombin activity by 50%


J Med Chem 47: 5167-82 (2004)


Article DOI: 10.1021/jm049884d
BindingDB Entry DOI: 10.7270/Q2V987JK
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50146535
PNG
(CHEMBL99483 | [4-(6-Chloro-naphthalene-2-sulfonyl)...)
Show SMILES Clc1ccc2cc(ccc2c1)S(=O)(=O)N1CCN(CC1)C(=O)c1nc2CCNCc2s1
Show InChI InChI=1S/C21H21ClN4O3S2/c22-16-3-1-15-12-17(4-2-14(15)11-16)31(28,29)26-9-7-25(8-10-26)21(27)20-24-18-5-6-23-13-19(18)30-20/h1-4,11-12,23H,5-10,13H2
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n/an/a 2.90E+6n/an/an/an/an/an/a



Daiichi Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Concentration required to inhibit thrombin activity by 50%


J Med Chem 47: 5167-82 (2004)


Article DOI: 10.1021/jm049884d
BindingDB Entry DOI: 10.7270/Q2V987JK
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%