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PubMed code 12039584

Compile data set for download or QSAR
Found 59 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))
BDBM50114494
PNG
(4-Bromo-2-(3-carbamimidoyl-phenoxy)-N-(2'-sulfamoy...)
Show SMILES NC(=N)c1cccc(Oc2cc(Br)ccc2C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)c1
Show InChI InChI=1S/C26H21BrN4O4S/c27-18-10-13-22(23(15-18)35-20-5-3-4-17(14-20)25(28)29)26(32)31-19-11-8-16(9-12-19)21-6-1-2-7-24(21)36(30,33)34/h1-15H,(H3,28,29)(H,31,32)(H2,30,33,34)
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n/an/a 1.20n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Tested in vitro for the inhibitory activity against Coagulation factor Xa


Bioorg Med Chem Lett 12: 1657-61 (2002)

More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50114475
PNG
(2-(3-Carbamimidoyl-phenoxy)-4-chloro-N-(2'-sulfamo...)
Show SMILES NC(=N)c1cccc(Oc2cc(Cl)ccc2C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)c1
Show InChI InChI=1S/C26H21ClN4O4S/c27-18-10-13-22(23(15-18)35-20-5-3-4-17(14-20)25(28)29)26(32)31-19-11-8-16(9-12-19)21-6-1-2-7-24(21)36(30,33)34/h1-15H,(H3,28,29)(H,31,32)(H2,30,33,34)
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n/an/a 1.5n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Tested in vitro for the inhibitory activity against Coagulation factor Xa


Bioorg Med Chem Lett 12: 1657-61 (2002)

More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50114472
PNG
(2'-Sulfamoyl-biphenyl-4-carboxylic acid [2-(3-carb...)
Show SMILES NC(=N)c1cccc(Oc2cc(Cl)ccc2NC(=O)c2ccc(cc2)-c2ccccc2S(N)(=O)=O)c1
Show InChI InChI=1S/C26H21ClN4O4S/c27-19-12-13-22(23(15-19)35-20-5-3-4-18(14-20)25(28)29)31-26(32)17-10-8-16(9-11-17)21-6-1-2-7-24(21)36(30,33)34/h1-15H,(H3,28,29)(H,31,32)(H2,30,33,34)
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n/an/a 1.60n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Tested in vitro for the inhibitory activity against Coagulation factor Xa


Bioorg Med Chem Lett 12: 1657-61 (2002)

More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50114459
PNG
(2'-Sulfamoyl-biphenyl-4-carboxylic acid [2-(3-carb...)
Show SMILES COc1ccc(NC(=O)c2ccc(cc2)-c2ccccc2S(N)(=O)=O)c(Oc2cccc(c2)C(N)=N)c1
Show InChI InChI=1S/C27H24N4O5S/c1-35-20-13-14-23(24(16-20)36-21-6-4-5-19(15-21)26(28)29)31-27(32)18-11-9-17(10-12-18)22-7-2-3-8-25(22)37(30,33)34/h2-16H,1H3,(H3,28,29)(H,31,32)(H2,30,33,34)
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n/an/a 1.60n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Tested in vitro for the inhibitory activity against Coagulation factor Xa


Bioorg Med Chem Lett 12: 1657-61 (2002)

More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50114477
PNG
(2'-Sulfamoyl-biphenyl-4-carboxylic acid [5-bromo-2...)
Show SMILES NC(=N)c1cccc(Oc2ccc(Br)cc2NC(=O)c2ccc(cc2)-c2ccccc2S(N)(=O)=O)c1
Show InChI InChI=1S/C26H21BrN4O4S/c27-19-12-13-23(35-20-5-3-4-18(14-20)25(28)29)22(15-19)31-26(32)17-10-8-16(9-11-17)21-6-1-2-7-24(21)36(30,33)34/h1-15H,(H3,28,29)(H,31,32)(H2,30,33,34)
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n/an/a 1.60n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Tested in vitro for the inhibitory activity against Coagulation factor Xa


Bioorg Med Chem Lett 12: 1657-61 (2002)

More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50114471
PNG
(2'-Sulfamoyl-biphenyl-4-carboxylic acid [2-(3-carb...)
Show SMILES CS(=O)(=O)c1ccc(Oc2cccc(c2)C(N)=N)c(NC(=O)c2ccc(cc2)-c2ccccc2S(N)(=O)=O)c1
Show InChI InChI=1S/C27H24N4O6S2/c1-38(33,34)21-13-14-24(37-20-6-4-5-19(15-20)26(28)29)23(16-21)31-27(32)18-11-9-17(10-12-18)22-7-2-3-8-25(22)39(30,35)36/h2-16H,1H3,(H3,28,29)(H,31,32)(H2,30,35,36)
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n/an/a 1.80n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Tested in vitro for the inhibitory activity against Coagulation factor Xa


Bioorg Med Chem Lett 12: 1657-61 (2002)

More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50114487
PNG
(2-(3-Carbamimidoyl-phenoxy)-5-nitro-N-(2'-sulfamoy...)
Show SMILES NC(=N)c1cccc(Oc2ccc(cc2C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)[N+]([O-])=O)c1
Show InChI InChI=1S/C26H21N5O6S/c27-25(28)17-4-3-5-20(14-17)37-23-13-12-19(31(33)34)15-22(23)26(32)30-18-10-8-16(9-11-18)21-6-1-2-7-24(21)38(29,35)36/h1-15H,(H3,27,28)(H,30,32)(H2,29,35,36)
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n/an/a 1.90n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Tested in vitro for the inhibitory activity against Coagulation factor X


Bioorg Med Chem Lett 12: 1657-61 (2002)

More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50114469
PNG
(2'-Sulfamoyl-biphenyl-4-carboxylic acid [4-bromo-2...)
Show SMILES NC(=N)c1cccc(Oc2cc(Br)ccc2NC(=O)c2ccc(cc2)-c2ccccc2S(N)(=O)=O)c1
Show InChI InChI=1S/C26H21BrN4O4S/c27-19-12-13-22(23(15-19)35-20-5-3-4-18(14-20)25(28)29)31-26(32)17-10-8-16(9-11-17)21-6-1-2-7-24(21)36(30,33)34/h1-15H,(H3,28,29)(H,31,32)(H2,30,33,34)
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n/an/a 2.10n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Tested in vitro for the inhibitory activity against Coagulation factor Xa


Bioorg Med Chem Lett 12: 1657-61 (2002)

More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50114454
PNG
(2'-Sulfamoyl-biphenyl-4-carboxylic acid [2-(3-carb...)
Show SMILES NC(=N)c1cccc(Oc2ccc(cc2NC(=O)c2ccc(cc2)-c2ccccc2S(N)(=O)=O)C(F)(F)F)c1
Show InChI InChI=1S/C27H21F3N4O4S/c28-27(29,30)19-12-13-23(38-20-5-3-4-18(14-20)25(31)32)22(15-19)34-26(35)17-10-8-16(9-11-17)21-6-1-2-7-24(21)39(33,36)37/h1-15H,(H3,31,32)(H,34,35)(H2,33,36,37)
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n/an/a 2.5n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Tested in vitro for the inhibitory activity against Coagulation factor Xa


Bioorg Med Chem Lett 12: 1657-61 (2002)

More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50114466
PNG
(4-(3-Carbamimidoyl-phenoxy)-3-[(2'-sulfamoyl-biphe...)
Show SMILES COC(=O)c1ccc(Oc2cccc(c2)C(N)=N)c(NC(=O)c2ccc(cc2)-c2ccccc2S(N)(=O)=O)c1
Show InChI InChI=1S/C28H24N4O6S/c1-37-28(34)20-13-14-24(38-21-6-4-5-19(15-21)26(29)30)23(16-20)32-27(33)18-11-9-17(10-12-18)22-7-2-3-8-25(22)39(31,35)36/h2-16H,1H3,(H3,29,30)(H,32,33)(H2,31,35,36)
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n/an/a 2.5n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Tested in vitro for the inhibitory activity against Coagulation factor Xa


Bioorg Med Chem Lett 12: 1657-61 (2002)

More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50114491
PNG
(2'-Sulfamoyl-biphenyl-4-carboxylic acid [2-(3-carb...)
Show SMILES NC(=N)c1cccc(OCC(NC(=O)c2ccc(cc2)-c2ccccc2S(N)(=O)=O)c2ccccc2)c1
Show InChI InChI=1S/C28H26N4O4S/c29-27(30)22-9-6-10-23(17-22)36-18-25(20-7-2-1-3-8-20)32-28(33)21-15-13-19(14-16-21)24-11-4-5-12-26(24)37(31,34)35/h1-17,25H,18H2,(H3,29,30)(H,32,33)(H2,31,34,35)
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n/an/a 3.40n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Tested in vitro for the inhibitory activity against Coagulation factor Xa


Bioorg Med Chem Lett 12: 1657-61 (2002)

More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50114479
PNG
(2'-Sulfamoyl-biphenyl-4-carboxylic acid [2-(3-carb...)
Show SMILES NC(=N)c1cccc(Oc2ccccc2NC(=O)c2ccc(cc2)-c2ccccc2S(N)(=O)=O)c1
Show InChI InChI=1S/C26H22N4O4S/c27-25(28)19-6-5-7-20(16-19)34-23-10-3-2-9-22(23)30-26(31)18-14-12-17(13-15-18)21-8-1-4-11-24(21)35(29,32)33/h1-16H,(H3,27,28)(H,30,31)(H2,29,32,33)
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n/an/a 3.60n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Tested in vitro for the inhibitory activity against Coagulation factor Xa


Bioorg Med Chem Lett 12: 1657-61 (2002)

More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50114474
PNG
(3-{2-[1-Oxo-5-(2-sulfamoyl-phenyl)-1,3-dihydro-iso...)
Show SMILES NC(=N)c1cccc(OCCN2Cc3cc(ccc3C2=O)-c2ccccc2S(N)(=O)=O)c1
Show InChI InChI=1S/C23H22N4O4S/c24-22(25)16-4-3-5-18(13-16)31-11-10-27-14-17-12-15(8-9-20(17)23(27)28)19-6-1-2-7-21(19)32(26,29)30/h1-9,12-13H,10-11,14H2,(H3,24,25)(H2,26,29,30)
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n/an/a 3.60n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Tested in vitro for the inhibitory activity against Coagulation factor Xa


Bioorg Med Chem Lett 12: 1657-61 (2002)

More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50114476
PNG
(2'-Sulfamoyl-biphenyl-4-carboxylic acid [2-(3-carb...)
Show SMILES NC(=N)c1cccc(Oc2cc(O)ccc2NC(=O)c2ccc(cc2)-c2ccccc2S(N)(=O)=O)c1
Show InChI InChI=1S/C26H22N4O5S/c27-25(28)18-4-3-5-20(14-18)35-23-15-19(31)12-13-22(23)30-26(32)17-10-8-16(9-11-17)21-6-1-2-7-24(21)36(29,33)34/h1-15,31H,(H3,27,28)(H,30,32)(H2,29,33,34)
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n/an/a 3.90n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Tested in vitro for the inhibitory activity against Coagulation factor Xa


Bioorg Med Chem Lett 12: 1657-61 (2002)

More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50114480
PNG
(5-Bromo-2-(3-carbamimidoyl-phenoxy)-N-(2'-sulfamoy...)
Show SMILES NC(=N)c1cccc(Oc2ccc(Br)cc2C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)c1
Show InChI InChI=1S/C26H21BrN4O4S/c27-18-10-13-23(35-20-5-3-4-17(14-20)25(28)29)22(15-18)26(32)31-19-11-8-16(9-12-19)21-6-1-2-7-24(21)36(30,33)34/h1-15H,(H3,28,29)(H,31,32)(H2,30,33,34)
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n/an/a 4.40n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Tested in vitro for the inhibitory activity against Coagulation factor Xa


Bioorg Med Chem Lett 12: 1657-61 (2002)

More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50114463
PNG
(2'-Sulfamoyl-biphenyl-4-carboxylic acid [2-(3-carb...)
Show SMILES NC(=N)c1cccc(Oc2ccc(F)cc2NC(=O)c2ccc(cc2)-c2ccccc2S(N)(=O)=O)c1
Show InChI InChI=1S/C26H21FN4O4S/c27-19-12-13-23(35-20-5-3-4-18(14-20)25(28)29)22(15-19)31-26(32)17-10-8-16(9-11-17)21-6-1-2-7-24(21)36(30,33)34/h1-15H,(H3,28,29)(H,31,32)(H2,30,33,34)
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n/an/a 4.5n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Tested in vitro for the inhibitory activity against Coagulation factor Xa


Bioorg Med Chem Lett 12: 1657-61 (2002)

More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50114496
PNG
(2-(3-Carbamimidoyl-phenoxy)-4-nitro-N-(2'-sulfamoy...)
Show SMILES NC(=N)c1cccc(Oc2cc(ccc2C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)[N+]([O-])=O)c1
Show InChI InChI=1S/C26H21N5O6S/c27-25(28)17-4-3-5-20(14-17)37-23-15-19(31(33)34)12-13-22(23)26(32)30-18-10-8-16(9-11-18)21-6-1-2-7-24(21)38(29,35)36/h1-15H,(H3,27,28)(H,30,32)(H2,29,35,36)
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n/an/a 4.80n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Tested in vitro for the inhibitory activity against Coagulation factor Xa


Bioorg Med Chem Lett 12: 1657-61 (2002)

More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50114500
PNG
(2-(3-Carbamimidoyl-phenoxy)-5-methanesulfonylamino...)
Show SMILES CS(=O)(=O)Nc1ccc(Oc2cccc(c2)C(N)=N)c(c1)C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O
Show InChI InChI=1S/C27H25N5O6S2/c1-39(34,35)32-20-13-14-24(38-21-6-4-5-18(15-21)26(28)29)23(16-20)27(33)31-19-11-9-17(10-12-19)22-7-2-3-8-25(22)40(30,36)37/h2-16,32H,1H3,(H3,28,29)(H,31,33)(H2,30,36,37)
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n/an/a 5.40n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Tested in vitro for the inhibitory activity against Coagulation factor Xa


Bioorg Med Chem Lett 12: 1657-61 (2002)

More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50114483
PNG
(2'-Sulfamoyl-biphenyl-4-carboxylic acid [1-(3-carb...)
Show SMILES NC(=N)c1cccc(OCC(Cc2ccccc2)NC(=O)c2ccc(cc2)-c2ccccc2S(N)(=O)=O)c1
Show InChI InChI=1S/C29H28N4O4S/c30-28(31)23-9-6-10-25(18-23)37-19-24(17-20-7-2-1-3-8-20)33-29(34)22-15-13-21(14-16-22)26-11-4-5-12-27(26)38(32,35)36/h1-16,18,24H,17,19H2,(H3,30,31)(H,33,34)(H2,32,35,36)
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n/an/a 5.60n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Tested in vitro for the inhibitory activity against Coagulation factor Xa


Bioorg Med Chem Lett 12: 1657-61 (2002)

More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50114464
PNG
(2-(3-Carbamimidoyl-phenoxy)-N-(2'-sulfamoyl-biphen...)
Show SMILES NC(=N)c1cccc(Oc2ccccc2C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)c1
Show InChI InChI=1S/C26H22N4O4S/c27-25(28)18-6-5-7-20(16-18)34-23-10-3-1-9-22(23)26(31)30-19-14-12-17(13-15-19)21-8-2-4-11-24(21)35(29,32)33/h1-16H,(H3,27,28)(H,30,31)(H2,29,32,33)
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n/an/a 7.30n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Tested in vitro for the inhibitory activity against Coagulation factor Xa


Bioorg Med Chem Lett 12: 1657-61 (2002)

More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50114455
PNG
(2'-Sulfamoyl-biphenyl-4-carboxylic acid [2-(3-carb...)
Show SMILES NC(=N)c1cccc(OCCNC(=O)c2ccc(cc2)-c2ccccc2S(N)(=O)=O)c1
Show InChI InChI=1S/C22H22N4O4S/c23-21(24)17-4-3-5-18(14-17)30-13-12-26-22(27)16-10-8-15(9-11-16)19-6-1-2-7-20(19)31(25,28)29/h1-11,14H,12-13H2,(H3,23,24)(H,26,27)(H2,25,28,29)
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n/an/a 7.5n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Tested in vitro for the inhibitory activity against Coagulation factor Xa


Bioorg Med Chem Lett 12: 1657-61 (2002)

More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50114478
PNG
(2-(3-Carbamimidoyl-phenoxy)-5-chloro-N-(2'-sulfamo...)
Show SMILES NC(=N)c1cccc(Oc2ccc(Cl)cc2C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)c1
Show InChI InChI=1S/C26H21ClN4O4S/c27-18-10-13-23(35-20-5-3-4-17(14-20)25(28)29)22(15-18)26(32)31-19-11-8-16(9-12-19)21-6-1-2-7-24(21)36(30,33)34/h1-15H,(H3,28,29)(H,31,32)(H2,30,33,34)
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n/an/a 7.70n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Tested in vitro for the inhibitory activity against Coagulation factor Xa


Bioorg Med Chem Lett 12: 1657-61 (2002)

More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50114497
PNG
(5-Acetylamino-2-(3-carbamimidoyl-phenoxy)-N-(2'-su...)
Show SMILES CC(=O)Nc1ccc(Oc2cccc(c2)C(N)=N)c(c1)C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O
Show InChI InChI=1S/C28H25N5O5S/c1-17(34)32-21-13-14-25(38-22-6-4-5-19(15-22)27(29)30)24(16-21)28(35)33-20-11-9-18(10-12-20)23-7-2-3-8-26(23)39(31,36)37/h2-16H,1H3,(H3,29,30)(H,32,34)(H,33,35)(H2,31,36,37)
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n/an/a 7.70n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Tested in vitro for the inhibitory activity against Coagulation factor Xa


Bioorg Med Chem Lett 12: 1657-61 (2002)

More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50114488
PNG
(2'-Sulfamoyl-biphenyl-4-carboxylic acid [2-(3-carb...)
Show SMILES NC(=N)c1cccc(OCCN(Cc2ccoc2)C(=O)c2ccc(cc2)-c2ccccc2S(N)(=O)=O)c1
Show InChI InChI=1S/C27H26N4O5S/c28-26(29)22-4-3-5-23(16-22)36-15-13-31(17-19-12-14-35-18-19)27(32)21-10-8-20(9-11-21)24-6-1-2-7-25(24)37(30,33)34/h1-12,14,16,18H,13,15,17H2,(H3,28,29)(H2,30,33,34)
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n/an/a 7.80n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Tested in vitro for the inhibitory activity against Coagulation factor Xa


Bioorg Med Chem Lett 12: 1657-61 (2002)

More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50114486
PNG
(2'-Sulfamoyl-biphenyl-4-carboxylic acid [2-(3-carb...)
Show SMILES Cc1ccc(NC(=O)c2ccc(cc2)-c2ccccc2S(N)(=O)=O)c(Oc2cccc(c2)C(N)=N)c1
Show InChI InChI=1S/C27H24N4O4S/c1-17-9-14-23(24(15-17)35-21-6-4-5-20(16-21)26(28)29)31-27(32)19-12-10-18(11-13-19)22-7-2-3-8-25(22)36(30,33)34/h2-16H,1H3,(H3,28,29)(H,31,32)(H2,30,33,34)
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n/an/a 9.90n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Tested in vitro for the inhibitory activity against Coagulation factor Xa


Bioorg Med Chem Lett 12: 1657-61 (2002)

More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50114470
PNG
(2-(3-Carbamimidoyl-phenoxy)-5-dimethylamino-N-(2'-...)
Show SMILES CN(C)c1ccc(Oc2cccc(c2)C(N)=N)c(c1)C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O
Show InChI InChI=1S/C28H27N5O4S/c1-33(2)21-14-15-25(37-22-7-5-6-19(16-22)27(29)30)24(17-21)28(34)32-20-12-10-18(11-13-20)23-8-3-4-9-26(23)38(31,35)36/h3-17H,1-2H3,(H3,29,30)(H,32,34)(H2,31,35,36)
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n/an/a 10n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Tested in vitro for the inhibitory activity against Coagulation factor Xa


Bioorg Med Chem Lett 12: 1657-61 (2002)

More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50114481
PNG
(2'-Sulfamoyl-biphenyl-4-carboxylic acid [2-(3-carb...)
Show SMILES NC(=N)c1cccc(OCCN(Cc2cccnc2)C(=O)c2ccc(cc2)-c2ccccc2S(N)(=O)=O)c1
Show InChI InChI=1S/C28H27N5O4S/c29-27(30)23-6-3-7-24(17-23)37-16-15-33(19-20-5-4-14-32-18-20)28(34)22-12-10-21(11-13-22)25-8-1-2-9-26(25)38(31,35)36/h1-14,17-18H,15-16,19H2,(H3,29,30)(H2,31,35,36)
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n/an/a 11n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Tested in vitro for the inhibitory activity against Coagulation factor Xa


Bioorg Med Chem Lett 12: 1657-61 (2002)

More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50114456
PNG
(5-Amino-2-(3-carbamimidoyl-phenoxy)-N-(2'-sulfamoy...)
Show SMILES NC(=N)c1cccc(Oc2ccc(N)cc2C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)c1
Show InChI InChI=1S/C26H23N5O4S/c27-18-10-13-23(35-20-5-3-4-17(14-20)25(28)29)22(15-18)26(32)31-19-11-8-16(9-12-19)21-6-1-2-7-24(21)36(30,33)34/h1-15H,27H2,(H3,28,29)(H,31,32)(H2,30,33,34)
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n/an/a 12n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Tested in vitro for the inhibitory activity against Coagulation factor Xa


Bioorg Med Chem Lett 12: 1657-61 (2002)

More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50114462
PNG
(2-(3-Carbamimidoyl-phenoxy)-4-methylamino-N-(2'-su...)
Show SMILES CNc1ccc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)c(Oc2cccc(c2)C(N)=N)c1
Show InChI InChI=1S/C27H25N5O4S/c1-31-20-13-14-23(24(16-20)36-21-6-4-5-18(15-21)26(28)29)27(33)32-19-11-9-17(10-12-19)22-7-2-3-8-25(22)37(30,34)35/h2-16,31H,1H3,(H3,28,29)(H,32,33)(H2,30,34,35)
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n/an/a 12n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Tested in vitro for the inhibitory activity against Coagulation factor Xa


Bioorg Med Chem Lett 12: 1657-61 (2002)

More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50114498
PNG
(CHEMBL47252 | [[2-(3-Carbamimidoyl-phenoxy)-ethyl]...)
Show SMILES COC(=O)CN(CCOc1cccc(c1)C(N)=N)C(=O)c1ccc(cc1)-c1ccccc1S(N)(=O)=O
Show InChI InChI=1S/C25H26N4O6S/c1-34-23(30)16-29(13-14-35-20-6-4-5-19(15-20)24(26)27)25(31)18-11-9-17(10-12-18)21-7-2-3-8-22(21)36(28,32)33/h2-12,15H,13-14,16H2,1H3,(H3,26,27)(H2,28,32,33)
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n/an/a 13n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Tested in vitro for the inhibitory activity against Coagulation factor Xa


Bioorg Med Chem Lett 12: 1657-61 (2002)

More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50114465
PNG
(2'-Sulfamoyl-biphenyl-4-carboxylic acid benzyl-[2-...)
Show SMILES NC(=N)c1cccc(OCCN(Cc2ccccc2)C(=O)c2ccc(cc2)-c2ccccc2S(N)(=O)=O)c1
Show InChI InChI=1S/C29H28N4O4S/c30-28(31)24-9-6-10-25(19-24)37-18-17-33(20-21-7-2-1-3-8-21)29(34)23-15-13-22(14-16-23)26-11-4-5-12-27(26)38(32,35)36/h1-16,19H,17-18,20H2,(H3,30,31)(H2,32,35,36)
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n/an/a 14n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Tested in vitro for the inhibitory activity against Coagulation factor Xa


Bioorg Med Chem Lett 12: 1657-61 (2002)

More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50114489
PNG
(2-(3-Carbamimidoyl-phenoxy)-4-dimethylamino-N-(2'-...)
Show SMILES CN(C)c1ccc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)c(Oc2cccc(c2)C(N)=N)c1
Show InChI InChI=1S/C28H27N5O4S/c1-33(2)21-14-15-24(25(17-21)37-22-7-5-6-19(16-22)27(29)30)28(34)32-20-12-10-18(11-13-20)23-8-3-4-9-26(23)38(31,35)36/h3-17H,1-2H3,(H3,29,30)(H,32,34)(H2,31,35,36)
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n/an/a 16n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Tested in vitro for the inhibitory activity against Coagulation factor Xa


Bioorg Med Chem Lett 12: 1657-61 (2002)

More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50114458
PNG
(2'-Sulfamoyl-biphenyl-4-carboxylic acid [2-(3-carb...)
Show SMILES CC(COc1cccc(c1)C(N)=N)NC(=O)c1ccc(cc1)-c1ccccc1S(N)(=O)=O
Show InChI InChI=1S/C23H24N4O4S/c1-15(14-31-19-6-4-5-18(13-19)22(24)25)27-23(28)17-11-9-16(10-12-17)20-7-2-3-8-21(20)32(26,29)30/h2-13,15H,14H2,1H3,(H3,24,25)(H,27,28)(H2,26,29,30)
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n/an/a 16n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Tested in vitro for the inhibitory activity against Coagulation factor Xa


Bioorg Med Chem Lett 12: 1657-61 (2002)

More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50114461
PNG
(4-Amino-2-(3-carbamimidoyl-phenoxy)-N-(2'-sulfamoy...)
Show SMILES NC(=N)c1cccc(Oc2cc(N)ccc2C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)c1
Show InChI InChI=1S/C26H23N5O4S/c27-18-10-13-22(23(15-18)35-20-5-3-4-17(14-20)25(28)29)26(32)31-19-11-8-16(9-12-19)21-6-1-2-7-24(21)36(30,33)34/h1-15H,27H2,(H3,28,29)(H,31,32)(H2,30,33,34)
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n/an/a 19n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Tested in vitro for the inhibitory activity against Coagulation factor Xa


Bioorg Med Chem Lett 12: 1657-61 (2002)

More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50114492
PNG
(2-{2-[2-(1-Amino-isoquinolin-7-yloxy)-ethyl]-1-oxo...)
Show SMILES Nc1nccc2ccc(OCCN3Cc4cc(ccc4C3=O)-c3ccccc3S(N)(=O)=O)cc12
Show InChI InChI=1S/C25H22N4O4S/c26-24-22-14-19(7-5-16(22)9-10-28-24)33-12-11-29-15-18-13-17(6-8-21(18)25(29)30)20-3-1-2-4-23(20)34(27,31)32/h1-10,13-14H,11-12,15H2,(H2,26,28)(H2,27,31,32)
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n/an/a 22n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Tested in vitro for the inhibitory activity against Coagulation factor Xa


Bioorg Med Chem Lett 12: 1657-61 (2002)

More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50114482
PNG
(2'-Sulfamoyl-biphenyl-4-carboxylic acid [2-(3-carb...)
Show SMILES CN(CCOc1cccc(c1)C(N)=N)C(=O)c1ccc(cc1)-c1ccccc1S(N)(=O)=O
Show InChI InChI=1S/C23H24N4O4S/c1-27(13-14-31-19-6-4-5-18(15-19)22(24)25)23(28)17-11-9-16(10-12-17)20-7-2-3-8-21(20)32(26,29)30/h2-12,15H,13-14H2,1H3,(H3,24,25)(H2,26,29,30)
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n/an/a 24n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Tested in vitro for the inhibitory activity against Coagulation factor Xa


Bioorg Med Chem Lett 12: 1657-61 (2002)

More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50114493
PNG
(2-{2-[2-(1-Amino-isoquinolin-7-yloxy)-1-methyl-eth...)
Show SMILES CC(COc1ccc2ccnc(N)c2c1)N1Cc2cc(ccc2C1=O)-c1ccccc1S(N)(=O)=O
Show InChI InChI=1S/C26H24N4O4S/c1-16(15-34-20-8-6-17-10-11-29-25(27)23(17)13-20)30-14-19-12-18(7-9-22(19)26(30)31)21-4-2-3-5-24(21)35(28,32)33/h2-13,16H,14-15H2,1H3,(H2,27,29)(H2,28,32,33)
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n/an/a 25n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Tested in vitro for the inhibitory activity against Coagulation factor Xa


Bioorg Med Chem Lett 12: 1657-61 (2002)

More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50114467
PNG
(2-(3-Carbamimidoyl-phenoxy)-4-methanesulfonylamino...)
Show SMILES CS(=O)(=O)Nc1ccc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)c(Oc2cccc(c2)C(N)=N)c1
Show InChI InChI=1S/C27H25N5O6S2/c1-39(34,35)32-20-13-14-23(24(16-20)38-21-6-4-5-18(15-21)26(28)29)27(33)31-19-11-9-17(10-12-19)22-7-2-3-8-25(22)40(30,36)37/h2-16,32H,1H3,(H3,28,29)(H,31,33)(H2,30,36,37)
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n/an/a 31n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Tested in vitro for the inhibitory activity against Coagulation factor Xa


Bioorg Med Chem Lett 12: 1657-61 (2002)

More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50114485
PNG
(CHEMBL46770 | [[2-(3-Carbamimidoyl-phenoxy)-ethyl]...)
Show SMILES NC(=N)c1cccc(OCCN(CC(O)=O)C(=O)c2ccc(cc2)-c2ccccc2S(N)(=O)=O)c1
Show InChI InChI=1S/C24H24N4O6S/c25-23(26)18-4-3-5-19(14-18)34-13-12-28(15-22(29)30)24(31)17-10-8-16(9-11-17)20-6-1-2-7-21(20)35(27,32)33/h1-11,14H,12-13,15H2,(H3,25,26)(H,29,30)(H2,27,32,33)
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n/an/a 34n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Tested in vitro for the inhibitory activity against Coagulation factor Xa


Bioorg Med Chem Lett 12: 1657-61 (2002)

More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50114460
PNG
(4-(3-Carbamimidoyl-phenoxy)-3-[(2'-sulfamoyl-biphe...)
Show SMILES NC(=N)c1cccc(Oc2ccc(cc2NC(=O)c2ccc(cc2)-c2ccccc2S(N)(=O)=O)C(O)=O)c1
Show InChI InChI=1S/C27H22N4O6S/c28-25(29)18-4-3-5-20(14-18)37-23-13-12-19(27(33)34)15-22(23)31-26(32)17-10-8-16(9-11-17)21-6-1-2-7-24(21)38(30,35)36/h1-15H,(H3,28,29)(H,31,32)(H,33,34)(H2,30,35,36)
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n/an/a 49n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Tested in vitro for the inhibitory activity against Coagulation factor Xa


Bioorg Med Chem Lett 12: 1657-61 (2002)

More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50114499
PNG
(4-Acetylamino-2-(3-carbamimidoyl-phenoxy)-N-(2'-su...)
Show SMILES CC(=O)Nc1ccc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)c(Oc2cccc(c2)C(N)=N)c1
Show InChI InChI=1S/C28H25N5O5S/c1-17(34)32-21-13-14-24(25(16-21)38-22-6-4-5-19(15-22)27(29)30)28(35)33-20-11-9-18(10-12-20)23-7-2-3-8-26(23)39(31,36)37/h2-16H,1H3,(H3,29,30)(H,32,34)(H,33,35)(H2,31,36,37)
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n/an/a 61n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Tested in vitro for the inhibitory activity against Coagulation factor Xa


Bioorg Med Chem Lett 12: 1657-61 (2002)

More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50114468
PNG
(2-{2-[1-(1-Amino-isoquinolin-7-yloxymethyl)-2-phen...)
Show SMILES Nc1nccc2ccc(OCC(Cc3ccccc3)N3Cc4cc(ccc4C3=O)-c3ccccc3S(N)(=O)=O)cc12
Show InChI InChI=1S/C32H28N4O4S/c33-31-29-18-26(12-10-22(29)14-15-35-31)40-20-25(16-21-6-2-1-3-7-21)36-19-24-17-23(11-13-28(24)32(36)37)27-8-4-5-9-30(27)41(34,38)39/h1-15,17-18,25H,16,19-20H2,(H2,33,35)(H2,34,38,39)
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n/an/a 226n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Tested in vitro for the inhibitory activity against Coagulation factor Xa


Bioorg Med Chem Lett 12: 1657-61 (2002)

More data for this
Ligand-Target Pair
Kallikrein-1 (KLK1)


(Homo sapiens (Human))
BDBM50114479
PNG
(2'-Sulfamoyl-biphenyl-4-carboxylic acid [2-(3-carb...)
Show SMILES NC(=N)c1cccc(Oc2ccccc2NC(=O)c2ccc(cc2)-c2ccccc2S(N)(=O)=O)c1
Show InChI InChI=1S/C26H22N4O4S/c27-25(28)19-6-5-7-20(16-19)34-23-10-3-2-9-22(23)30-26(31)18-14-12-17(13-15-18)21-8-1-4-11-24(21)35(29,32)33/h1-16H,(H3,27,28)(H,30,31)(H2,29,32,33)
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n/an/a 250n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Tested in vitro for the inhibitory activity against kallikrein


Bioorg Med Chem Lett 12: 1657-61 (2002)

More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50114457
PNG
(2-{2-[2-(1-Amino-isoquinolin-7-yloxy)-1-phenyl-eth...)
Show SMILES Nc1nccc2ccc(OCC(N3Cc4cc(ccc4C3=O)-c3ccccc3S(N)(=O)=O)c3ccccc3)cc12
Show InChI InChI=1S/C31H26N4O4S/c32-30-27-17-24(12-10-20(27)14-15-34-30)39-19-28(21-6-2-1-3-7-21)35-18-23-16-22(11-13-26(23)31(35)36)25-8-4-5-9-29(25)40(33,37)38/h1-17,28H,18-19H2,(H2,32,34)(H2,33,37,38)
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n/an/a 623n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Tested in vitro for the inhibitory activity against Coagulation factor Xa


Bioorg Med Chem Lett 12: 1657-61 (2002)

More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50114473
PNG
(2'-Sulfamoyl-biphenyl-4-carboxylic acid [2-(1-amin...)
Show SMILES Nc1nccc2ccc(Oc3ccccc3NC(=O)c3ccc(cc3)-c3ccccc3S(N)(=O)=O)cc12
Show InChI InChI=1S/C28H22N4O4S/c29-27-23-17-21(14-13-19(23)15-16-31-27)36-25-7-3-2-6-24(25)32-28(33)20-11-9-18(10-12-20)22-5-1-4-8-26(22)37(30,34)35/h1-17H,(H2,29,31)(H,32,33)(H2,30,34,35)
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n/an/a 646n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Tested in vitro for the inhibitory activity against Coagulation factor Xa


Bioorg Med Chem Lett 12: 1657-61 (2002)

More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (Human))
BDBM50114479
PNG
(2'-Sulfamoyl-biphenyl-4-carboxylic acid [2-(3-carb...)
Show SMILES NC(=N)c1cccc(Oc2ccccc2NC(=O)c2ccc(cc2)-c2ccccc2S(N)(=O)=O)c1
Show InChI InChI=1S/C26H22N4O4S/c27-25(28)19-6-5-7-20(16-19)34-23-10-3-2-9-22(23)30-26(31)18-14-12-17(13-15-18)21-8-1-4-11-24(21)35(29,32)33/h1-16H,(H3,27,28)(H,30,31)(H2,29,32,33)
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n/an/a 970n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Tested in vitro for the inhibitory activity against trypsin


Bioorg Med Chem Lett 12: 1657-61 (2002)

More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (Human))
BDBM50114455
PNG
(2'-Sulfamoyl-biphenyl-4-carboxylic acid [2-(3-carb...)
Show SMILES NC(=N)c1cccc(OCCNC(=O)c2ccc(cc2)-c2ccccc2S(N)(=O)=O)c1
Show InChI InChI=1S/C22H22N4O4S/c23-21(24)17-4-3-5-18(14-17)30-13-12-26-22(27)16-10-8-15(9-11-16)19-6-1-2-7-20(19)31(25,28)29/h1-11,14H,12-13H2,(H3,23,24)(H,26,27)(H2,25,28,29)
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n/an/a 1.20E+3n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Tested in vitro for the inhibitory activity against trypsin


Bioorg Med Chem Lett 12: 1657-61 (2002)

More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50114484
PNG
(2'-Sulfamoyl-biphenyl-4-carboxylic acid [2-(1-amin...)
Show SMILES Nc1nccc2ccc(Oc3ccc(F)cc3NC(=O)c3ccc(cc3)-c3ccccc3S(N)(=O)=O)cc12
Show InChI InChI=1S/C28H21FN4O4S/c29-20-10-12-25(37-21-11-9-18-13-14-32-27(30)23(18)16-21)24(15-20)33-28(34)19-7-5-17(6-8-19)22-3-1-2-4-26(22)38(31,35)36/h1-16H,(H2,30,32)(H,33,34)(H2,31,35,36)
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n/an/a 1.32E+3n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Tested in vitro for the inhibitory activity against Coagulation factor Xa


Bioorg Med Chem Lett 12: 1657-61 (2002)

More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50114495
PNG
(2'-Sulfamoyl-biphenyl-4-carboxylic acid [2-(1-amin...)
Show SMILES Nc1nccc2ccc(Oc3ccc(cc3NC(=O)c3ccc(cc3)-c3ccccc3S(N)(=O)=O)C(F)(F)F)cc12
Show InChI InChI=1S/C29H21F3N4O4S/c30-29(31,32)20-10-12-25(40-21-11-9-18-13-14-35-27(33)23(18)16-21)24(15-20)36-28(37)19-7-5-17(6-8-19)22-3-1-2-4-26(22)41(34,38)39/h1-16H,(H2,33,35)(H,36,37)(H2,34,38,39)
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n/an/a 1.81E+3n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Tested in vitro for the inhibitory activity against Coagulation factor Xa


Bioorg Med Chem Lett 12: 1657-61 (2002)

More data for this
Ligand-Target Pair
Kallikrein-1 (KLK1)


(Homo sapiens (Human))
BDBM50114455
PNG
(2'-Sulfamoyl-biphenyl-4-carboxylic acid [2-(3-carb...)
Show SMILES NC(=N)c1cccc(OCCNC(=O)c2ccc(cc2)-c2ccccc2S(N)(=O)=O)c1
Show InChI InChI=1S/C22H22N4O4S/c23-21(24)17-4-3-5-18(14-17)30-13-12-26-22(27)16-10-8-15(9-11-16)19-6-1-2-7-20(19)31(25,28)29/h1-11,14H,12-13H2,(H3,23,24)(H,26,27)(H2,25,28,29)
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n/an/a 2.10E+3n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Tested in vitro for the inhibitory activity against kallikrein


Bioorg Med Chem Lett 12: 1657-61 (2002)

More data for this
Ligand-Target Pair
Vitamin K-dependent protein C


(Homo sapiens (Human))
BDBM50114455
PNG
(2'-Sulfamoyl-biphenyl-4-carboxylic acid [2-(3-carb...)
Show SMILES NC(=N)c1cccc(OCCNC(=O)c2ccc(cc2)-c2ccccc2S(N)(=O)=O)c1
Show InChI InChI=1S/C22H22N4O4S/c23-21(24)17-4-3-5-18(14-17)30-13-12-26-22(27)16-10-8-15(9-11-16)19-6-1-2-7-20(19)31(25,28)29/h1-11,14H,12-13H2,(H3,23,24)(H,26,27)(H2,25,28,29)
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n/an/a 3.70E+3n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Tested in vitro for the inhibitory activity against activated protein C (APC)


Bioorg Med Chem Lett 12: 1657-61 (2002)

More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50114490
PNG
(2'-Sulfamoyl-biphenyl-4-carboxylic acid [2-(1-amin...)
Show SMILES CS(=O)(=O)c1ccc(Oc2ccc3ccnc(N)c3c2)c(NC(=O)c2ccc(cc2)-c2ccccc2S(N)(=O)=O)c1
Show InChI InChI=1S/C29H24N4O6S2/c1-40(35,36)22-12-13-26(39-21-11-10-19-14-15-32-28(30)24(19)16-21)25(17-22)33-29(34)20-8-6-18(7-9-20)23-4-2-3-5-27(23)41(31,37)38/h2-17H,1H3,(H2,30,32)(H,33,34)(H2,31,37,38)
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n/an/a 6.06E+3n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Tested in vitro for the inhibitory activity against Coagulation factor Xa


Bioorg Med Chem Lett 12: 1657-61 (2002)

More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50114479
PNG
(2'-Sulfamoyl-biphenyl-4-carboxylic acid [2-(3-carb...)
Show SMILES NC(=N)c1cccc(Oc2ccccc2NC(=O)c2ccc(cc2)-c2ccccc2S(N)(=O)=O)c1
Show InChI InChI=1S/C26H22N4O4S/c27-25(28)19-6-5-7-20(16-19)34-23-10-3-2-9-22(23)30-26(31)18-14-12-17(13-15-18)21-8-1-4-11-24(21)35(29,32)33/h1-16H,(H3,27,28)(H,30,31)(H2,29,32,33)
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n/an/a>1.10E+4n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Tested in vitro for the inhibitory activity against thrombin


Bioorg Med Chem Lett 12: 1657-61 (2002)

More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50114455
PNG
(2'-Sulfamoyl-biphenyl-4-carboxylic acid [2-(3-carb...)
Show SMILES NC(=N)c1cccc(OCCNC(=O)c2ccc(cc2)-c2ccccc2S(N)(=O)=O)c1
Show InChI InChI=1S/C22H22N4O4S/c23-21(24)17-4-3-5-18(14-17)30-13-12-26-22(27)16-10-8-15(9-11-16)19-6-1-2-7-20(19)31(25,28)29/h1-11,14H,12-13H2,(H3,23,24)(H,26,27)(H2,25,28,29)
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n/an/a 1.30E+4n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Tested in vitro for the inhibitory activity against plasmin


Bioorg Med Chem Lett 12: 1657-61 (2002)

More data for this
Ligand-Target Pair
Tissue-type plasminogen activator


(Homo sapiens (Human))
BDBM50114479
PNG
(2'-Sulfamoyl-biphenyl-4-carboxylic acid [2-(3-carb...)
Show SMILES NC(=N)c1cccc(Oc2ccccc2NC(=O)c2ccc(cc2)-c2ccccc2S(N)(=O)=O)c1
Show InChI InChI=1S/C26H22N4O4S/c27-25(28)19-6-5-7-20(16-19)34-23-10-3-2-9-22(23)30-26(31)18-14-12-17(13-15-18)21-8-1-4-11-24(21)35(29,32)33/h1-16H,(H3,27,28)(H,30,31)(H2,29,32,33)
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n/an/a 1.80E+4n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Tested in vitro for the inhibitory activity against Tissue plasminogen activator (tissue plasminogen activator)


Bioorg Med Chem Lett 12: 1657-61 (2002)

More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50114479
PNG
(2'-Sulfamoyl-biphenyl-4-carboxylic acid [2-(3-carb...)
Show SMILES NC(=N)c1cccc(Oc2ccccc2NC(=O)c2ccc(cc2)-c2ccccc2S(N)(=O)=O)c1
Show InChI InChI=1S/C26H22N4O4S/c27-25(28)19-6-5-7-20(16-19)34-23-10-3-2-9-22(23)30-26(31)18-14-12-17(13-15-18)21-8-1-4-11-24(21)35(29,32)33/h1-16H,(H3,27,28)(H,30,31)(H2,29,32,33)
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n/an/a 4.30E+4n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Tested in vitro for the inhibitory activity against plasmin


Bioorg Med Chem Lett 12: 1657-61 (2002)

More data for this
Ligand-Target Pair
Tissue-type plasminogen activator


(Homo sapiens (Human))
BDBM50114455
PNG
(2'-Sulfamoyl-biphenyl-4-carboxylic acid [2-(3-carb...)
Show SMILES NC(=N)c1cccc(OCCNC(=O)c2ccc(cc2)-c2ccccc2S(N)(=O)=O)c1
Show InChI InChI=1S/C22H22N4O4S/c23-21(24)17-4-3-5-18(14-17)30-13-12-26-22(27)16-10-8-15(9-11-16)19-6-1-2-7-20(19)31(25,28)29/h1-11,14H,12-13H2,(H3,23,24)(H,26,27)(H2,25,28,29)
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n/an/a 1.09E+5n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Tested in vitro for the inhibitory activity against Tissue plasminogen activator (tissue plasminogen activator)


Bioorg Med Chem Lett 12: 1657-61 (2002)

More data for this
Ligand-Target Pair
Vitamin K-dependent protein C


(Homo sapiens (Human))
BDBM50114479
PNG
(2'-Sulfamoyl-biphenyl-4-carboxylic acid [2-(3-carb...)
Show SMILES NC(=N)c1cccc(Oc2ccccc2NC(=O)c2ccc(cc2)-c2ccccc2S(N)(=O)=O)c1
Show InChI InChI=1S/C26H22N4O4S/c27-25(28)19-6-5-7-20(16-19)34-23-10-3-2-9-22(23)30-26(31)18-14-12-17(13-15-18)21-8-1-4-11-24(21)35(29,32)33/h1-16H,(H3,27,28)(H,30,31)(H2,29,32,33)
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antibodypedia
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PC cid
PC sid
UniChem

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PubMed
n/an/a>1.81E+5n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Tested in vitro for the inhibitory activity against activated protein C (APC)


Bioorg Med Chem Lett 12: 1657-61 (2002)

More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50114455
PNG
(2'-Sulfamoyl-biphenyl-4-carboxylic acid [2-(3-carb...)
Show SMILES NC(=N)c1cccc(OCCNC(=O)c2ccc(cc2)-c2ccccc2S(N)(=O)=O)c1
Show InChI InChI=1S/C22H22N4O4S/c23-21(24)17-4-3-5-18(14-17)30-13-12-26-22(27)16-10-8-15(9-11-16)19-6-1-2-7-20(19)31(25,28)29/h1-11,14H,12-13H2,(H3,23,24)(H,26,27)(H2,25,28,29)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 3.21E+5n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Tested in vitro for the inhibitory activity against thrombin


Bioorg Med Chem Lett 12: 1657-61 (2002)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%