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PubMed code 15125963

Compile data set for download or QSAR
Found 20 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))		BDBM50146539
PNG
(2-[4-(6-Chloro-naphthalene-2-sulfonyl)-piperazine-...)
Show SMILES C[N+]1(C)CCc2nc(sc2C1)C(=O)N1CCN(CC1)S(=O)(=O)c1ccc2cc(Cl)ccc2c1
Show InChI InChI=1S/C23H26ClN4O3S2/c1-28(2)12-7-20-21(15-28)32-22(25-20)23(29)26-8-10-27(11-9-26)33(30,31)19-6-4-16-13-18(24)5-3-17(16)14-19/h3-6,13-14H,7-12,15H2,1-2H3/q+1
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n/an/a 7.80n/an/an/an/an/an/a



Daiichi Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound against human Coagulation factor X

Bioorg Med Chem Lett 14: 2935-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.036
BindingDB Entry DOI: 10.7270/Q2VH5N9B
More data for this
Ligand-Target Pair
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
In vitro inhibitory activity of the compound against human Coagulation factor X

Bioorg Med Chem Lett 14: 2935-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.036
BindingDB Entry DOI: 10.7270/Q2VH5N9B
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))		BDBM50146538
PNG
(4-(6-Chloro-naphthalene-2-sulfonyl)-1-(5-methyl-4,...)
Show SMILES CN1CCc2nc(sc2C1)C(=O)N1CCN(CC1C(=O)NCC(N)=O)S(=O)(=O)c1ccc2cc(Cl)ccc2c1
Show InChI InChI=1S/C25H27ClN6O5S2/c1-30-7-6-19-21(14-30)38-24(29-19)25(35)32-9-8-31(13-20(32)23(34)28-12-22(27)33)39(36,37)18-5-3-15-10-17(26)4-2-16(15)11-18/h2-5,10-11,20H,6-9,12-14H2,1H3,(H2,27,33)(H,28,34)
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n/an/a 23n/an/an/an/an/an/a



Daiichi Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound against human Coagulation factor X

Bioorg Med Chem Lett 14: 2935-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.036
BindingDB Entry DOI: 10.7270/Q2VH5N9B
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
In vitro inhibitory activity of the compound against human Coagulation factor X

Bioorg Med Chem Lett 14: 2935-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.036
BindingDB Entry DOI: 10.7270/Q2VH5N9B
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Coagulation factor X


(Homo sapiens (Human))		BDBM50146532
PNG
(4-(6-Chloro-naphthalene-2-sulfonyl)-1-(5-methyl-4,...)
Show SMILES CN1CCc2nc(sc2C1)C(=O)N1CCN(CC1C(=O)NCC(=O)N1CCOCC1)S(=O)(=O)c1ccc2cc(Cl)ccc2c1
Show InChI InChI=1S/C29H33ClN6O6S2/c1-33-7-6-23-25(18-33)43-28(32-23)29(39)36-9-8-35(17-24(36)27(38)31-16-26(37)34-10-12-42-13-11-34)44(40,41)22-5-3-19-14-21(30)4-2-20(19)15-22/h2-5,14-15,24H,6-13,16-18H2,1H3,(H,31,38)
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n/an/a 25n/an/an/an/an/an/a



Daiichi Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound against human Coagulation factor X

Bioorg Med Chem Lett 14: 2935-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.036
BindingDB Entry DOI: 10.7270/Q2VH5N9B
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))		BDBM50146531
PNG
(4-(6-Chloro-naphthalene-2-sulfonyl)-1-(5-methyl-4,...)
Show SMILES CNC(=O)C1CN(CCN1C(=O)c1nc2CCN(C)Cc2s1)S(=O)(=O)c1ccc2cc(Cl)ccc2c1
Show InChI InChI=1S/C24H26ClN5O4S2/c1-26-22(31)20-13-29(36(33,34)18-6-4-15-11-17(25)5-3-16(15)12-18)9-10-30(20)24(32)23-27-19-7-8-28(2)14-21(19)35-23/h3-6,11-12,20H,7-10,13-14H2,1-2H3,(H,26,31)
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n/an/a 27n/an/an/an/an/an/a



Daiichi Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound against human Coagulation factor X

Bioorg Med Chem Lett 14: 2935-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.036
BindingDB Entry DOI: 10.7270/Q2VH5N9B
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))		BDBM50146537
PNG
(4-(6-Chloro-naphthalene-2-sulfonyl)-1-(5-methyl-4,...)
Show SMILES CC(C)NC(=O)C1CN(CCN1C(=O)c1nc2CCN(C)Cc2s1)S(=O)(=O)c1ccc2cc(Cl)ccc2c1
Show InChI InChI=1S/C26H30ClN5O4S2/c1-16(2)28-24(33)22-14-31(38(35,36)20-7-5-17-12-19(27)6-4-18(17)13-20)10-11-32(22)26(34)25-29-21-8-9-30(3)15-23(21)37-25/h4-7,12-13,16,22H,8-11,14-15H2,1-3H3,(H,28,33)
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n/an/a 45n/an/an/an/an/an/a



Daiichi Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound against human Coagulation factor X

Bioorg Med Chem Lett 14: 2935-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.036
BindingDB Entry DOI: 10.7270/Q2VH5N9B
More data for this
Ligand-Target Pair
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
In vitro inhibitory activity of the compound against human Coagulation factor X

Bioorg Med Chem Lett 14: 2935-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.036
BindingDB Entry DOI: 10.7270/Q2VH5N9B
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))		BDBM50146540
PNG
(4-(6-Chloro-naphthalene-2-sulfonyl)-1-(5-methyl-4,...)
Show SMILES CN(C)C(=O)C1CN(CCN1C(=O)c1nc2CCN(C)Cc2s1)S(=O)(=O)c1ccc2cc(Cl)ccc2c1
Show InChI InChI=1S/C25H28ClN5O4S2/c1-28(2)24(32)21-14-30(37(34,35)19-7-5-16-12-18(26)6-4-17(16)13-19)10-11-31(21)25(33)23-27-20-8-9-29(3)15-22(20)36-23/h4-7,12-13,21H,8-11,14-15H2,1-3H3
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n/an/a 130n/an/an/an/an/an/a



Daiichi Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound against human Coagulation factor X

Bioorg Med Chem Lett 14: 2935-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.036
BindingDB Entry DOI: 10.7270/Q2VH5N9B
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 560n/an/an/an/an/an/a



Daiichi Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound against human thrombin

Bioorg Med Chem Lett 14: 2935-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.036
BindingDB Entry DOI: 10.7270/Q2VH5N9B
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))		BDBM50146533
PNG
(4-(6-Chloro-naphthalene-2-sulfonyl)-1-(5-methyl-4,...)
Show SMILES CN1CCc2nc(sc2C1)C(=O)N1CCN(CC1C(=O)NCc1ccccc1)S(=O)(=O)c1ccc2cc(Cl)ccc2c1
Show InChI InChI=1S/C30H30ClN5O4S2/c1-34-12-11-25-27(19-34)41-29(33-25)30(38)36-14-13-35(18-26(36)28(37)32-17-20-5-3-2-4-6-20)42(39,40)24-10-8-21-15-23(31)9-7-22(21)16-24/h2-10,15-16,26H,11-14,17-19H2,1H3,(H,32,37)
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n/an/a 640n/an/an/an/an/an/a



Daiichi Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound against human Coagulation factor X

Bioorg Med Chem Lett 14: 2935-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.036
BindingDB Entry DOI: 10.7270/Q2VH5N9B
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM50146537
PNG
(4-(6-Chloro-naphthalene-2-sulfonyl)-1-(5-methyl-4,...)
Show SMILES CC(C)NC(=O)C1CN(CCN1C(=O)c1nc2CCN(C)Cc2s1)S(=O)(=O)c1ccc2cc(Cl)ccc2c1
Show InChI InChI=1S/C26H30ClN5O4S2/c1-16(2)28-24(33)22-14-31(38(35,36)20-7-5-17-12-19(27)6-4-18(17)13-20)10-11-32(22)26(34)25-29-21-8-9-30(3)15-23(21)37-25/h4-7,12-13,16,22H,8-11,14-15H2,1-3H3,(H,28,33)
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n/an/a 820n/an/an/an/an/an/a



Daiichi Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound against human thrombin

Bioorg Med Chem Lett 14: 2935-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.036
BindingDB Entry DOI: 10.7270/Q2VH5N9B
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM50146538
PNG
(4-(6-Chloro-naphthalene-2-sulfonyl)-1-(5-methyl-4,...)
Show SMILES CN1CCc2nc(sc2C1)C(=O)N1CCN(CC1C(=O)NCC(N)=O)S(=O)(=O)c1ccc2cc(Cl)ccc2c1
Show InChI InChI=1S/C25H27ClN6O5S2/c1-30-7-6-19-21(14-30)38-24(29-19)25(35)32-9-8-31(13-20(32)23(34)28-12-22(27)33)39(36,37)18-5-3-15-10-17(26)4-2-16(15)11-18/h2-5,10-11,20H,6-9,12-14H2,1H3,(H2,27,33)(H,28,34)
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n/an/a 880n/an/an/an/an/an/a



Daiichi Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound against human thrombin

Bioorg Med Chem Lett 14: 2935-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.036
BindingDB Entry DOI: 10.7270/Q2VH5N9B
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM50146532
PNG
(4-(6-Chloro-naphthalene-2-sulfonyl)-1-(5-methyl-4,...)
Show SMILES CN1CCc2nc(sc2C1)C(=O)N1CCN(CC1C(=O)NCC(=O)N1CCOCC1)S(=O)(=O)c1ccc2cc(Cl)ccc2c1
Show InChI InChI=1S/C29H33ClN6O6S2/c1-33-7-6-23-25(18-33)43-28(32-23)29(39)36-9-8-35(17-24(36)27(38)31-16-26(37)34-10-12-42-13-11-34)44(40,41)22-5-3-19-14-21(30)4-2-20(19)15-22/h2-5,14-15,24H,6-13,16-18H2,1H3,(H,31,38)
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n/an/a 1.00E+3n/an/an/an/an/an/a



Daiichi Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound against human thrombin

Bioorg Med Chem Lett 14: 2935-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.036
BindingDB Entry DOI: 10.7270/Q2VH5N9B
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+3n/an/an/an/an/an/a



Daiichi Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound against human thrombin

Bioorg Med Chem Lett 14: 2935-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.036
BindingDB Entry DOI: 10.7270/Q2VH5N9B
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM50146533
PNG
(4-(6-Chloro-naphthalene-2-sulfonyl)-1-(5-methyl-4,...)
Show SMILES CN1CCc2nc(sc2C1)C(=O)N1CCN(CC1C(=O)NCc1ccccc1)S(=O)(=O)c1ccc2cc(Cl)ccc2c1
Show InChI InChI=1S/C30H30ClN5O4S2/c1-34-12-11-25-27(19-34)41-29(33-25)30(38)36-14-13-35(18-26(36)28(37)32-17-20-5-3-2-4-6-20)42(39,40)24-10-8-21-15-23(31)9-7-22(21)16-24/h2-10,15-16,26H,11-14,17-19H2,1H3,(H,32,37)
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n/an/a 1.30E+3n/an/an/an/an/an/a



Daiichi Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound against human thrombin

Bioorg Med Chem Lett 14: 2935-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.036
BindingDB Entry DOI: 10.7270/Q2VH5N9B
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM50146531
PNG
(4-(6-Chloro-naphthalene-2-sulfonyl)-1-(5-methyl-4,...)
Show SMILES CNC(=O)C1CN(CCN1C(=O)c1nc2CCN(C)Cc2s1)S(=O)(=O)c1ccc2cc(Cl)ccc2c1
Show InChI InChI=1S/C24H26ClN5O4S2/c1-26-22(31)20-13-29(36(33,34)18-6-4-15-11-17(25)5-3-16(15)12-18)9-10-30(20)24(32)23-27-19-7-8-28(2)14-21(19)35-23/h3-6,11-12,20H,7-10,13-14H2,1-2H3,(H,26,31)
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n/an/a 1.35E+3n/an/an/an/an/an/a



Daiichi Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound against human thrombin

Bioorg Med Chem Lett 14: 2935-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.036
BindingDB Entry DOI: 10.7270/Q2VH5N9B
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+3n/an/an/an/an/an/a



Daiichi Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound against human thrombin

Bioorg Med Chem Lett 14: 2935-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.036
BindingDB Entry DOI: 10.7270/Q2VH5N9B
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM50146539
PNG
(2-[4-(6-Chloro-naphthalene-2-sulfonyl)-piperazine-...)
Show SMILES C[N+]1(C)CCc2nc(sc2C1)C(=O)N1CCN(CC1)S(=O)(=O)c1ccc2cc(Cl)ccc2c1
Show InChI InChI=1S/C23H26ClN4O3S2/c1-28(2)12-7-20-21(15-28)32-22(25-20)23(29)26-8-10-27(11-9-26)33(30,31)19-6-4-16-13-18(24)5-3-17(16)14-19/h3-6,13-14H,7-12,15H2,1-2H3/q+1
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n/an/a 3.20E+3n/an/an/an/an/an/a



Daiichi Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound against human thrombin

Bioorg Med Chem Lett 14: 2935-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.036
BindingDB Entry DOI: 10.7270/Q2VH5N9B
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM50146540
PNG
(4-(6-Chloro-naphthalene-2-sulfonyl)-1-(5-methyl-4,...)
Show SMILES CN(C)C(=O)C1CN(CCN1C(=O)c1nc2CCN(C)Cc2s1)S(=O)(=O)c1ccc2cc(Cl)ccc2c1
Show InChI InChI=1S/C25H28ClN5O4S2/c1-28(2)24(32)21-14-30(37(34,35)19-7-5-16-12-18(26)6-4-17(16)13-19)10-11-31(21)25(33)23-27-20-8-9-29(3)15-22(20)36-23/h4-7,12-13,21H,8-11,14-15H2,1-3H3
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n/an/a 6.00E+3n/an/an/an/an/an/a



Daiichi Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound against human thrombin

Bioorg Med Chem Lett 14: 2935-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.036
BindingDB Entry DOI: 10.7270/Q2VH5N9B
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%