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PubMed code 20355714

Compile data set for download or QSAR
Found 26 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/antithrombin III


(Homo sapiens (human))
BDBM50317108
PNG
(2-(1-{(2S)-3-[(6-Chloronaphthalen-2-yl)sulfonyl]-2...)
Show SMILES O[C@H](CS(=O)(=O)c1ccc2cc(Cl)ccc2c1)C(=O)N1CCC(CC1)N1Cc2cccn2C1=O
Show InChI InChI=1S/C24H24ClN3O5S/c25-18-5-3-17-13-21(6-4-16(17)12-18)34(32,33)15-22(29)23(30)26-10-7-19(8-11-26)28-14-20-2-1-9-27(20)24(28)31/h1-6,9,12-13,19,22,29H,7-8,10-11,14-15H2/t22-/m1/s1
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n/an/a 1.70n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a assessed as p-nitroanilide release using S2765 as substrate by chromogenic assay


J Med Chem 53: 3517-31 (2010)


Article DOI: 10.1021/jm901699j
BindingDB Entry DOI: 10.7270/Q2PR7W52
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50304619
PNG
((S)-2-(1-(3-(6-chloronaphthalen-2-ylsulfonyl)-2-hy...)
Show SMILES Cc1ncc2CN(C3CCN(CC3)C(=O)[C@H](O)CS(=O)(=O)c3ccc4cc(Cl)ccc4c3)C(=O)n12
Show InChI InChI=1S/C24H25ClN4O5S/c1-15-26-12-20-13-28(24(32)29(15)20)19-6-8-27(9-7-19)23(31)22(30)14-35(33,34)21-5-3-16-10-18(25)4-2-17(16)11-21/h2-5,10-12,19,22,30H,6-9,13-14H2,1H3/t22-/m1/s1
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n/an/a 2.10n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a assessed as p-nitroanilide release using S2765 as substrate by chromogenic assay


J Med Chem 53: 3517-31 (2010)


Article DOI: 10.1021/jm901699j
BindingDB Entry DOI: 10.7270/Q2PR7W52
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50317098
PNG
(1-(1-{(2S)-3-[(6-chloronaphthalen-2-yl)sulfonyl]-2...)
Show SMILES O[C@H](CS(=O)(=O)c1ccc2cc(Cl)ccc2c1)C(=O)N1CCC(CC1)N1CCCNC1=O
Show InChI InChI=1S/C22H26ClN3O5S/c23-17-4-2-16-13-19(5-3-15(16)12-17)32(30,31)14-20(27)21(28)25-10-6-18(7-11-25)26-9-1-8-24-22(26)29/h2-5,12-13,18,20,27H,1,6-11,14H2,(H,24,29)/t20-/m1/s1
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n/an/a 2.20n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a using S2222 as substrate after 10 mins by chromogenic assay


J Med Chem 53: 3517-31 (2010)


Article DOI: 10.1021/jm901699j
BindingDB Entry DOI: 10.7270/Q2PR7W52
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50317107
PNG
(2-(1-{(2S)-3-[(6-Chloronaphthalen-2-yl)sulfonyl]-2...)
Show SMILES O[C@H](CS(=O)(=O)c1ccc2cc(Cl)ccc2c1)C(=O)N1CCC(CC1)N1Cc2ccccc2C1=O
Show InChI InChI=1S/C26H25ClN2O5S/c27-20-7-5-18-14-22(8-6-17(18)13-20)35(33,34)16-24(30)26(32)28-11-9-21(10-12-28)29-15-19-3-1-2-4-23(19)25(29)31/h1-8,13-14,21,24,30H,9-12,15-16H2/t24-/m1/s1
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n/an/a 2.30n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a assessed as p-nitroanilide release using S2765 as substrate by chromogenic assay


J Med Chem 53: 3517-31 (2010)


Article DOI: 10.1021/jm901699j
BindingDB Entry DOI: 10.7270/Q2PR7W52
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50317098
PNG
(1-(1-{(2S)-3-[(6-chloronaphthalen-2-yl)sulfonyl]-2...)
Show SMILES O[C@H](CS(=O)(=O)c1ccc2cc(Cl)ccc2c1)C(=O)N1CCC(CC1)N1CCCNC1=O
Show InChI InChI=1S/C22H26ClN3O5S/c23-17-4-2-16-13-19(5-3-15(16)12-17)32(30,31)14-20(27)21(28)25-10-6-18(7-11-25)26-9-1-8-24-22(26)29/h2-5,12-13,18,20,27H,1,6-11,14H2,(H,24,29)/t20-/m1/s1
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n/an/a 3.5n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a assessed as p-nitroanilide release using S2765 as substrate by chromogenic assay


J Med Chem 53: 3517-31 (2010)


Article DOI: 10.1021/jm901699j
BindingDB Entry DOI: 10.7270/Q2PR7W52
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50317096
PNG
(4-(1-{(2S)-3-[(6-Chloronaphthalen-2-yl)sulfonyl]-2...)
Show SMILES O[C@H](CS(=O)(=O)c1ccc2cc(Cl)ccc2c1)C(=O)N1CCC(CC1)N1CCOCC1=O
Show InChI InChI=1S/C22H25ClN2O6S/c23-17-3-1-16-12-19(4-2-15(16)11-17)32(29,30)14-20(26)22(28)24-7-5-18(6-8-24)25-9-10-31-13-21(25)27/h1-4,11-12,18,20,26H,5-10,13-14H2/t20-/m1/s1
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n/an/a 3.60n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a assessed as p-nitroanilide release using S2765 as substrate by chromogenic assay


J Med Chem 53: 3517-31 (2010)


Article DOI: 10.1021/jm901699j
BindingDB Entry DOI: 10.7270/Q2PR7W52
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50270656
PNG
(2-(1-(3-(6-chloronaphthalen-2-ylsulfonyl)propanoyl...)
Show SMILES Cc1ncc2CN(C3CCN(CC3)C(=O)CCS(=O)(=O)c3ccc4cc(Cl)ccc4c3)C(=O)n12
Show InChI InChI=1S/C24H25ClN4O4S/c1-16-26-14-21-15-28(24(31)29(16)21)20-6-9-27(10-7-20)23(30)8-11-34(32,33)22-5-3-17-12-19(25)4-2-18(17)13-22/h2-5,12-14,20H,6-11,15H2,1H3
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n/an/a 4.80n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a assessed as p-nitroanilide release using S2765 as substrate by chromogenic assay


J Med Chem 53: 3517-31 (2010)


Article DOI: 10.1021/jm901699j
BindingDB Entry DOI: 10.7270/Q2PR7W52
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50304620
PNG
(2-(1-(3-(6-chloronaphthalen-2-ylsulfonyl)propanoyl...)
Show SMILES OCc1ncc2CN(C3CCN(CC3)C(=O)CCS(=O)(=O)c3ccc4cc(Cl)ccc4c3)C(=O)n12
Show InChI InChI=1S/C24H25ClN4O5S/c25-18-3-1-17-12-21(4-2-16(17)11-18)35(33,34)10-7-23(31)27-8-5-19(6-9-27)28-14-20-13-26-22(15-30)29(20)24(28)32/h1-4,11-13,19,30H,5-10,14-15H2
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n/an/a 8n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a assessed as p-nitroanilide release using S2765 as substrate by chromogenic assay


J Med Chem 53: 3517-31 (2010)


Article DOI: 10.1021/jm901699j
BindingDB Entry DOI: 10.7270/Q2PR7W52
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50317095
PNG
(1'-{(2S)-3-[(6-Chloronaphthalen-2-yl)sulfonyl]-2-h...)
Show SMILES O[C@H](CS(=O)(=O)c1ccc2cc(Cl)ccc2c1)C(=O)N1CCC(CC1)N1CCCCC1=O
Show InChI InChI=1S/C23H27ClN2O5S/c24-18-6-4-17-14-20(7-5-16(17)13-18)32(30,31)15-21(27)23(29)25-11-8-19(9-12-25)26-10-2-1-3-22(26)28/h4-7,13-14,19,21,27H,1-3,8-12,15H2/t21-/m1/s1
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n/an/a 9.10n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a assessed as p-nitroanilide release using S2765 as substrate by chromogenic assay


J Med Chem 53: 3517-31 (2010)


Article DOI: 10.1021/jm901699j
BindingDB Entry DOI: 10.7270/Q2PR7W52
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50317092
PNG
(1-(1-{3-[(6-Chloronaphthalen-2-yl)sulfonyl]propano...)
Show SMILES Clc1ccc2cc(ccc2c1)S(=O)(=O)CCC(=O)N1CCC(CC1)N1CCCNC1=O
Show InChI InChI=1S/C22H26ClN3O4S/c23-18-4-2-17-15-20(5-3-16(17)14-18)31(29,30)13-8-21(27)25-11-6-19(7-12-25)26-10-1-9-24-22(26)28/h2-5,14-15,19H,1,6-13H2,(H,24,28)
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n/an/a 11n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a assessed as p-nitroanilide release using S2765 as substrate by chromogenic assay


J Med Chem 53: 3517-31 (2010)


Article DOI: 10.1021/jm901699j
BindingDB Entry DOI: 10.7270/Q2PR7W52
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50317101
PNG
(1-(1-{(2S)-3-[(6-Chloronaphthalen-2-yl)sulfonyl]-2...)
Show SMILES O[C@H](CS(=O)(=O)c1ccc2cc(Cl)ccc2c1)C(=O)N1CCC(CC1)N1CCCC1=O
Show InChI InChI=1S/C22H25ClN2O5S/c23-17-5-3-16-13-19(6-4-15(16)12-17)31(29,30)14-20(26)22(28)24-10-7-18(8-11-24)25-9-1-2-21(25)27/h3-6,12-13,18,20,26H,1-2,7-11,14H2/t20-/m1/s1
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n/an/a 14n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a assessed as p-nitroanilide release using S2765 as substrate by chromogenic assay


J Med Chem 53: 3517-31 (2010)


Article DOI: 10.1021/jm901699j
BindingDB Entry DOI: 10.7270/Q2PR7W52
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50317097
PNG
(3-(1-{(2S)-3-[(6-Chloronaphthalen-2-yl)sulfonyl]-2...)
Show SMILES O[C@H](CS(=O)(=O)c1ccc2cc(Cl)ccc2c1)C(=O)N1CCC(CC1)N1CCCOC1=O
Show InChI InChI=1S/C22H25ClN2O6S/c23-17-4-2-16-13-19(5-3-15(16)12-17)32(29,30)14-20(26)21(27)24-9-6-18(7-10-24)25-8-1-11-31-22(25)28/h2-5,12-13,18,20,26H,1,6-11,14H2/t20-/m1/s1
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n/an/a 20n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a assessed as p-nitroanilide release using S2765 as substrate by chromogenic assay


J Med Chem 53: 3517-31 (2010)


Article DOI: 10.1021/jm901699j
BindingDB Entry DOI: 10.7270/Q2PR7W52
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50304621
PNG
((R)-2-(1-(3-(6-chloronaphthalen-2-ylsulfonyl)-2-hy...)
Show SMILES Cc1ncc2CN(C3CCN(CC3)C(=O)[C@@H](O)CS(=O)(=O)c3ccc4cc(Cl)ccc4c3)C(=O)n12
Show InChI InChI=1S/C24H25ClN4O5S/c1-15-26-12-20-13-28(24(32)29(15)20)19-6-8-27(9-7-19)23(31)22(30)14-35(33,34)21-5-3-16-10-18(25)4-2-17(16)11-21/h2-5,10-12,19,22,30H,6-9,13-14H2,1H3/t22-/m0/s1
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n/an/a 21n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a assessed as p-nitroanilide release using S2765 as substrate by chromogenic assay


J Med Chem 53: 3517-31 (2010)


Article DOI: 10.1021/jm901699j
BindingDB Entry DOI: 10.7270/Q2PR7W52
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50317104
PNG
(1-(1-{(2S)-3-[(6-Chloronaphthalen-2-yl)sulfonyl]-2...)
Show SMILES O[C@H](CS(=O)(=O)c1ccc2cc(Cl)ccc2c1)C(=O)N1CCC(CC1)N1CCNC1=O
Show InChI InChI=1S/C21H24ClN3O5S/c22-16-3-1-15-12-18(4-2-14(15)11-16)31(29,30)13-19(26)20(27)24-8-5-17(6-9-24)25-10-7-23-21(25)28/h1-4,11-12,17,19,26H,5-10,13H2,(H,23,28)/t19-/m1/s1
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n/an/a 23n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a assessed as p-nitroanilide release using S2765 as substrate by chromogenic assay


J Med Chem 53: 3517-31 (2010)


Article DOI: 10.1021/jm901699j
BindingDB Entry DOI: 10.7270/Q2PR7W52
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50317106
PNG
((7aS)-2-(1-{(2S)-3-[(6-Chloronaphthalen-2-yl)sulfo...)
Show SMILES O[C@H](CS(=O)(=O)c1ccc2cc(Cl)ccc2c1)C(=O)N1CCC(CC1)N1C[C@@H]2CCCN2C1=O
Show InChI InChI=1S/C24H28ClN3O5S/c25-18-5-3-17-13-21(6-4-16(17)12-18)34(32,33)15-22(29)23(30)26-10-7-19(8-11-26)28-14-20-2-1-9-27(20)24(28)31/h3-6,12-13,19-20,22,29H,1-2,7-11,14-15H2/t20-,22+/m0/s1
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n/an/a 24n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a assessed as p-nitroanilide release using S2765 as substrate by chromogenic assay


J Med Chem 53: 3517-31 (2010)


Article DOI: 10.1021/jm901699j
BindingDB Entry DOI: 10.7270/Q2PR7W52
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50317093
PNG
(1-(1-{(2S)-3-[(6-Chloronaphthalen-2-yl)sulfonyl]-2...)
Show SMILES O[C@H](CS(=O)(=O)c1ccc2cc(Cl)ccc2c1)C(=O)N1CCC(CC1)N1CCCCCC1=O
Show InChI InChI=1S/C24H29ClN2O5S/c25-19-7-5-18-15-21(8-6-17(18)14-19)33(31,32)16-22(28)24(30)26-12-9-20(10-13-26)27-11-3-1-2-4-23(27)29/h5-8,14-15,20,22,28H,1-4,9-13,16H2/t22-/m1/s1
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n/an/a 28n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a assessed as p-nitroanilide release using S2765 as substrate by chromogenic assay


J Med Chem 53: 3517-31 (2010)


Article DOI: 10.1021/jm901699j
BindingDB Entry DOI: 10.7270/Q2PR7W52
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50317103
PNG
(1-(1-{(2S)-3-[(6-Chloronaphthalen-2-yl)sulfonyl]-2...)
Show SMILES O[C@H](CS(=O)(=O)c1ccc2cc(Cl)ccc2c1)C(=O)N1CCC(CC1)n1cc[nH]c1=O
Show InChI InChI=1S/C21H22ClN3O5S/c22-16-3-1-15-12-18(4-2-14(15)11-16)31(29,30)13-19(26)20(27)24-8-5-17(6-9-24)25-10-7-23-21(25)28/h1-4,7,10-12,17,19,26H,5-6,8-9,13H2,(H,23,28)/t19-/m1/s1
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n/an/a 46n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a assessed as p-nitroanilide release using S2765 as substrate by chromogenic assay


J Med Chem 53: 3517-31 (2010)


Article DOI: 10.1021/jm901699j
BindingDB Entry DOI: 10.7270/Q2PR7W52
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50317094
PNG
(2-(1-{(2S)-3-[(6-Chloronaphthalen-2-yl)sulfonyl]-2...)
Show SMILES O[C@H](CS(=O)(=O)c1ccc2cc(Cl)ccc2c1)C(=O)N1CCC(CC1)N1NCCCC1=O
Show InChI InChI=1S/C22H26ClN3O5S/c23-17-5-3-16-13-19(6-4-15(16)12-17)32(30,31)14-20(27)22(29)25-10-7-18(8-11-25)26-21(28)2-1-9-24-26/h3-6,12-13,18,20,24,27H,1-2,7-11,14H2/t20-/m1/s1
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n/an/a 49n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a assessed as p-nitroanilide release using S2765 as substrate by chromogenic assay


J Med Chem 53: 3517-31 (2010)


Article DOI: 10.1021/jm901699j
BindingDB Entry DOI: 10.7270/Q2PR7W52
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50317105
PNG
((7aR)-2-(1-{(2S)-3-[(6-Chloronaphthalen-2-yl)sulfo...)
Show SMILES O[C@H](CS(=O)(=O)c1ccc2cc(Cl)ccc2c1)C(=O)N1CCC(CC1)N1C[C@H]2CCCN2C1=O
Show InChI InChI=1S/C24H28ClN3O5S/c25-18-5-3-17-13-21(6-4-16(17)12-18)34(32,33)15-22(29)23(30)26-10-7-19(8-11-26)28-14-20-2-1-9-27(20)24(28)31/h3-6,12-13,19-20,22,29H,1-2,7-11,14-15H2/t20-,22-/m1/s1
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n/an/a 51n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a assessed as p-nitroanilide release using S2765 as substrate by chromogenic assay


J Med Chem 53: 3517-31 (2010)


Article DOI: 10.1021/jm901699j
BindingDB Entry DOI: 10.7270/Q2PR7W52
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50317102
PNG
(3-(1-{(2S)-3-[(6-Chloronaphthalen-2-yl)sulfonyl]-2...)
Show SMILES O[C@H](CS(=O)(=O)c1ccc2cc(Cl)ccc2c1)C(=O)N1CCC(CC1)N1CCOC1=O
Show InChI InChI=1S/C21H23ClN2O6S/c22-16-3-1-15-12-18(4-2-14(15)11-16)31(28,29)13-19(25)20(26)23-7-5-17(6-8-23)24-9-10-30-21(24)27/h1-4,11-12,17,19,25H,5-10,13H2/t19-/m1/s1
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n/an/a 60n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a assessed as p-nitroanilide release using S2765 as substrate by chromogenic assay


J Med Chem 53: 3517-31 (2010)


Article DOI: 10.1021/jm901699j
BindingDB Entry DOI: 10.7270/Q2PR7W52
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50317099
PNG
((2S)-3-[(6-Chloronaphthalen-2-yl)sulfonyl]-1-oxo-1...)
Show SMILES O[C@H](CS(=O)(=O)c1ccc2cc(Cl)ccc2c1)C(=O)N1CCC(CC1)N1CCCC1
Show InChI InChI=1S/C22H27ClN2O4S/c23-18-5-3-17-14-20(6-4-16(17)13-18)30(28,29)15-21(26)22(27)25-11-7-19(8-12-25)24-9-1-2-10-24/h3-6,13-14,19,21,26H,1-2,7-12,15H2/t21-/m1/s1
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n/an/a 147n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a assessed as p-nitroanilide release using S2765 as substrate by chromogenic assay


J Med Chem 53: 3517-31 (2010)


Article DOI: 10.1021/jm901699j
BindingDB Entry DOI: 10.7270/Q2PR7W52
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50317100
PNG
((2S)-3-[(6-Chloronaphthalen-2-yl)sulfonyl]-1-[4-(1...)
Show SMILES O[C@H](CS(=O)(=O)c1ccc2cc(Cl)ccc2c1)C(=O)N1CCC(CC1)N1CCCS1(=O)=O
Show InChI InChI=1S/C21H25ClN2O6S2/c22-17-4-2-16-13-19(5-3-15(16)12-17)31(27,28)14-20(25)21(26)23-9-6-18(7-10-23)24-8-1-11-32(24,29)30/h2-5,12-13,18,20,25H,1,6-11,14H2/t20-/m1/s1
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n/an/a 198n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a assessed as p-nitroanilide release using S2765 as substrate by chromogenic assay


J Med Chem 53: 3517-31 (2010)


Article DOI: 10.1021/jm901699j
BindingDB Entry DOI: 10.7270/Q2PR7W52
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50317098
PNG
(1-(1-{(2S)-3-[(6-chloronaphthalen-2-yl)sulfonyl]-2...)
Show SMILES O[C@H](CS(=O)(=O)c1ccc2cc(Cl)ccc2c1)C(=O)N1CCC(CC1)N1CCCNC1=O
Show InChI InChI=1S/C22H26ClN3O5S/c23-17-4-2-16-13-19(5-3-15(16)12-17)32(30,31)14-20(27)21(28)25-10-6-18(7-11-25)26-9-1-8-24-22(26)29/h2-5,12-13,18,20,27H,1,6-11,14H2,(H,24,29)/t20-/m1/s1
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n/an/a 1.20E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human thrombin after 10 mins by chromogenic assay


J Med Chem 53: 3517-31 (2010)


Article DOI: 10.1021/jm901699j
BindingDB Entry DOI: 10.7270/Q2PR7W52
More data for this
Ligand-Target Pair
Coagulation factor IX and X


(Homo sapiens (human))
BDBM50317098
PNG
(1-(1-{(2S)-3-[(6-chloronaphthalen-2-yl)sulfonyl]-2...)
Show SMILES O[C@H](CS(=O)(=O)c1ccc2cc(Cl)ccc2c1)C(=O)N1CCC(CC1)N1CCCNC1=O
Show InChI InChI=1S/C22H26ClN3O5S/c23-17-4-2-16-13-19(5-3-15(16)12-17)32(30,31)14-20(27)21(28)25-10-6-18(7-11-25)26-9-1-8-24-22(26)29/h2-5,12-13,18,20,27H,1,6-11,14H2,(H,24,29)/t20-/m1/s1
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n/an/a 4.50E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human factor 9a after 10 mins by chromogenic assay


J Med Chem 53: 3517-31 (2010)


Article DOI: 10.1021/jm901699j
BindingDB Entry DOI: 10.7270/Q2PR7W52
More data for this
Ligand-Target Pair
Tissue-type plasminogen activator


(Homo sapiens (human))
BDBM50317098
PNG
(1-(1-{(2S)-3-[(6-chloronaphthalen-2-yl)sulfonyl]-2...)
Show SMILES O[C@H](CS(=O)(=O)c1ccc2cc(Cl)ccc2c1)C(=O)N1CCC(CC1)N1CCCNC1=O
Show InChI InChI=1S/C22H26ClN3O5S/c23-17-4-2-16-13-19(5-3-15(16)12-17)32(30,31)14-20(27)21(28)25-10-6-18(7-11-25)26-9-1-8-24-22(26)29/h2-5,12-13,18,20,27H,1,6-11,14H2,(H,24,29)/t20-/m1/s1
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n/an/a 4.40E+4n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human tissue plasminogen activator after 5 mins by chromogenic assay


J Med Chem 53: 3517-31 (2010)


Article DOI: 10.1021/jm901699j
BindingDB Entry DOI: 10.7270/Q2PR7W52
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (human))
BDBM50317098
PNG
(1-(1-{(2S)-3-[(6-chloronaphthalen-2-yl)sulfonyl]-2...)
Show SMILES O[C@H](CS(=O)(=O)c1ccc2cc(Cl)ccc2c1)C(=O)N1CCC(CC1)N1CCCNC1=O
Show InChI InChI=1S/C22H26ClN3O5S/c23-17-4-2-16-13-19(5-3-15(16)12-17)32(30,31)14-20(27)21(28)25-10-6-18(7-11-25)26-9-1-8-24-22(26)29/h2-5,12-13,18,20,27H,1,6-11,14H2,(H,24,29)/t20-/m1/s1
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n/an/a>6.00E+4n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human plasmin after 5 mins by chromogenic assay


J Med Chem 53: 3517-31 (2010)


Article DOI: 10.1021/jm901699j
BindingDB Entry DOI: 10.7270/Q2PR7W52
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%