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PubMed code 15013006

Compile data set for download or QSAR
Found 69 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))
BDBM50142111
PNG
(1-{4'-[4-Chloro-2-(5-chloro-pyridin-2-ylcarbamoyl)...)
Show SMILES OC(=O)C1CCN(CC1)c1ccccc1-c1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1
Show InChI InChI=1S/C31H26Cl2N4O4/c32-22-9-11-26(25(17-22)30(39)36-28-12-10-23(33)18-34-28)35-29(38)20-7-5-19(6-8-20)24-3-1-2-4-27(24)37-15-13-21(14-16-37)31(40)41/h1-12,17-18,21H,13-16H2,(H,35,38)(H,40,41)(H,34,36,39)
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0.0120n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against coagulation factor Xa.


Bioorg Med Chem Lett 14: 983-7 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.079
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50142090
PNG
(2'-(N,N-Dimethyl-carbamimidoyl)-biphenyl-4-carboxy...)
Show SMILES CN(C)C(=N)c1ccccc1-c1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1
Show InChI InChI=1S/C28H23Cl2N5O2/c1-35(2)26(31)22-6-4-3-5-21(22)17-7-9-18(10-8-17)27(36)33-24-13-11-19(29)15-23(24)28(37)34-25-14-12-20(30)16-32-25/h3-16,31H,1-2H3,(H,33,36)(H,32,34,37)
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0.100n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Coagulation factor X


Bioorg Med Chem Lett 14: 983-7 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.079
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50142125
PNG
(2'-(Acetimidoylamino-methyl)-biphenyl-4-carboxylic...)
Show SMILES CC(N)=NCc1ccccc1-c1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1 |w:3.3|
Show InChI InChI=1S/C28H23Cl2N5O2/c1-17(31)32-15-20-4-2-3-5-23(20)18-6-8-19(9-7-18)27(36)34-25-12-10-21(29)14-24(25)28(37)35-26-13-11-22(30)16-33-26/h2-14,16H,15H2,1H3,(H2,31,32)(H,34,36)(H,33,35,37)
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0.100n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against coagulation factor Xa.


Bioorg Med Chem Lett 14: 983-7 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.079
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50142112
PNG
(2'-Dimethylamino-biphenyl-4-carboxylic acid [4-chl...)
Show SMILES CN(C)c1ccccc1-c1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1
Show InChI InChI=1S/C27H22Cl2N4O2/c1-33(2)24-6-4-3-5-21(24)17-7-9-18(10-8-17)26(34)31-23-13-11-19(28)15-22(23)27(35)32-25-14-12-20(29)16-30-25/h3-16H,1-2H3,(H,31,34)(H,30,32,35)
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0.100n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Coagulation factor X


Bioorg Med Chem Lett 14: 983-7 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.079
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50142118
PNG
(2'-Amino-biphenyl-4-carboxylic acid [4-chloro-2-(5...)
Show SMILES Nc1ccccc1-c1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1
Show InChI InChI=1S/C25H18Cl2N4O2/c26-17-9-11-22(20(13-17)25(33)31-23-12-10-18(27)14-29-23)30-24(32)16-7-5-15(6-8-16)19-3-1-2-4-21(19)28/h1-14H,28H2,(H,30,32)(H,29,31,33)
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0.200n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Coagulation factor X


Bioorg Med Chem Lett 14: 983-7 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.079
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50142129
PNG
(2'-(4-Hydroxy-piperidin-1-yl)-biphenyl-4-carboxyli...)
Show SMILES OC1CCN(CC1)c1ccccc1-c1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1
Show InChI InChI=1S/C30H26Cl2N4O3/c31-21-9-11-26(25(17-21)30(39)35-28-12-10-22(32)18-33-28)34-29(38)20-7-5-19(6-8-20)24-3-1-2-4-27(24)36-15-13-23(37)14-16-36/h1-12,17-18,23,37H,13-16H2,(H,34,38)(H,33,35,39)
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0.200n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Coagulation factor X


Bioorg Med Chem Lett 14: 983-7 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.079
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50142126
PNG
(2'-Guanidinomethyl-biphenyl-4-carboxylic acid [4-c...)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-c1ccccc1-c1ccc(cc1)-[#6](=O)-[#7]-c1ccc(Cl)cc1-[#6](=O)-[#7]-c1ccc(Cl)cn1
Show InChI InChI=1S/C27H22Cl2N6O2/c28-19-9-11-23(22(13-19)26(37)35-24-12-10-20(29)15-32-24)34-25(36)17-7-5-16(6-8-17)21-4-2-1-3-18(21)14-33-27(30)31/h1-13,15H,14H2,(H,34,36)(H4,30,31,33)(H,32,35,37)
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0.300n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against coagulation factor Xa.


Bioorg Med Chem Lett 14: 983-7 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.079
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50142089
PNG
(3'-Carbamimidoyl-biphenyl-4-carboxylic acid [4-chl...)
Show SMILES NC(=N)c1cccc(c1)-c1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1
Show InChI InChI=1S/C26H19Cl2N5O2/c27-19-8-10-22(21(13-19)26(35)33-23-11-9-20(28)14-31-23)32-25(34)16-6-4-15(5-7-16)17-2-1-3-18(12-17)24(29)30/h1-14H,(H3,29,30)(H,32,34)(H,31,33,35)
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0.700n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Coagulation factor X


Bioorg Med Chem Lett 14: 983-7 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.079
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50142100
PNG
(2'-(4-Methyl-[1,4]diazepan-1-yl)-biphenyl-4-carbox...)
Show SMILES CN1CCCN(CC1)c1ccccc1-c1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1
Show InChI InChI=1S/C31H29Cl2N5O2/c1-37-15-4-16-38(18-17-37)28-6-3-2-5-25(28)21-7-9-22(10-8-21)30(39)35-27-13-11-23(32)19-26(27)31(40)36-29-14-12-24(33)20-34-29/h2-3,5-14,19-20H,4,15-18H2,1H3,(H,35,39)(H,34,36,40)
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0.800n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Coagulation factor X


Bioorg Med Chem Lett 14: 983-7 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.079
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50142103
PNG
(2'-(4-Methyl-piperazin-1-yl)-biphenyl-4-carboxylic...)
Show SMILES CN1CCN(CC1)c1ccccc1-c1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1
Show InChI InChI=1S/C30H27Cl2N5O2/c1-36-14-16-37(17-15-36)27-5-3-2-4-24(27)20-6-8-21(9-7-20)29(38)34-26-12-10-22(31)18-25(26)30(39)35-28-13-11-23(32)19-33-28/h2-13,18-19H,14-17H2,1H3,(H,34,38)(H,33,35,39)
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0.900n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Coagulation factor X


Bioorg Med Chem Lett 14: 983-7 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.079
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50142096
PNG
(3'-(N,N-Dimethyl-carbamimidoyl)-biphenyl-4-carboxy...)
Show SMILES CN(C)C(=N)c1cccc(c1)-c1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1
Show InChI InChI=1S/C28H23Cl2N5O2/c1-35(2)26(31)20-5-3-4-19(14-20)17-6-8-18(9-7-17)27(36)33-24-12-10-21(29)15-23(24)28(37)34-25-13-11-22(30)16-32-25/h3-16,31H,1-2H3,(H,33,36)(H,32,34,37)
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1n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against coagulation factor Xa.


Bioorg Med Chem Lett 14: 983-7 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.079
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50142106
PNG
(2'-Piperazin-1-yl-biphenyl-4-carboxylic acid [4-ch...)
Show SMILES Clc1ccc(NC(=O)c2cc(Cl)ccc2NC(=O)c2ccc(cc2)-c2ccccc2N2CCNCC2)nc1
Show InChI InChI=1S/C29H25Cl2N5O2/c30-21-9-11-25(24(17-21)29(38)35-27-12-10-22(31)18-33-27)34-28(37)20-7-5-19(6-8-20)23-3-1-2-4-26(23)36-15-13-32-14-16-36/h1-12,17-18,32H,13-16H2,(H,34,37)(H,33,35,38)
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1n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Coagulation factor X


Bioorg Med Chem Lett 14: 983-7 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.079
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50142094
PNG
(2'-[1,4]Diazepan-1-yl-biphenyl-4-carboxylic acid [...)
Show SMILES Clc1ccc(NC(=O)c2cc(Cl)ccc2NC(=O)c2ccc(cc2)-c2ccccc2N2CCCNCC2)nc1
Show InChI InChI=1S/C30H27Cl2N5O2/c31-22-10-12-26(25(18-22)30(39)36-28-13-11-23(32)19-34-28)35-29(38)21-8-6-20(7-9-21)24-4-1-2-5-27(24)37-16-3-14-33-15-17-37/h1-2,4-13,18-19,33H,3,14-17H2,(H,35,38)(H,34,36,39)
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1.80n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Coagulation factor X


Bioorg Med Chem Lett 14: 983-7 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.079
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50142091
PNG
(3'-(Acetimidoylamino-methyl)-biphenyl-4-carboxylic...)
Show SMILES CC(=N)NCc1cccc(c1)-c1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1
Show InChI InChI=1S/C28H23Cl2N5O2/c1-17(31)32-15-18-3-2-4-21(13-18)19-5-7-20(8-6-19)27(36)34-25-11-9-22(29)14-24(25)28(37)35-26-12-10-23(30)16-33-26/h2-14,16H,15H2,1H3,(H2,31,32)(H,34,36)(H,33,35,37)
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1.80n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Coagulation factor X


Bioorg Med Chem Lett 14: 983-7 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.079
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50142090
PNG
(2'-(N,N-Dimethyl-carbamimidoyl)-biphenyl-4-carboxy...)
Show SMILES CN(C)C(=N)c1ccccc1-c1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1
Show InChI InChI=1S/C28H23Cl2N5O2/c1-35(2)26(31)22-6-4-3-5-21(22)17-7-9-18(10-8-17)27(36)33-24-13-11-19(29)15-23(24)28(37)34-25-14-12-20(30)16-32-25/h3-16,31H,1-2H3,(H,33,36)(H,32,34,37)
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n/an/a 0.200n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against coagulation factor Xa.


Bioorg Med Chem Lett 14: 983-7 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.079
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50142111
PNG
(1-{4'-[4-Chloro-2-(5-chloro-pyridin-2-ylcarbamoyl)...)
Show SMILES OC(=O)C1CCN(CC1)c1ccccc1-c1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1
Show InChI InChI=1S/C31H26Cl2N4O4/c32-22-9-11-26(25(17-22)30(39)36-28-12-10-23(33)18-34-28)35-29(38)20-7-5-19(6-8-20)24-3-1-2-4-27(24)37-15-13-21(14-16-37)31(40)41/h1-12,17-18,21H,13-16H2,(H,35,38)(H,40,41)(H,34,36,39)
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n/an/a 0.400n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against coagulation factor Xa.


Bioorg Med Chem Lett 14: 983-7 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.079
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50142125
PNG
(2'-(Acetimidoylamino-methyl)-biphenyl-4-carboxylic...)
Show SMILES CC(N)=NCc1ccccc1-c1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1 |w:3.3|
Show InChI InChI=1S/C28H23Cl2N5O2/c1-17(31)32-15-20-4-2-3-5-23(20)18-6-8-19(9-7-18)27(36)34-25-12-10-21(29)14-24(25)28(37)35-26-13-11-22(30)16-33-26/h2-14,16H,15H2,1H3,(H2,31,32)(H,34,36)(H,33,35,37)
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n/an/a 0.700n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against coagulation factor Xa.


Bioorg Med Chem Lett 14: 983-7 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.079
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50142112
PNG
(2'-Dimethylamino-biphenyl-4-carboxylic acid [4-chl...)
Show SMILES CN(C)c1ccccc1-c1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1
Show InChI InChI=1S/C27H22Cl2N4O2/c1-33(2)24-6-4-3-5-21(24)17-7-9-18(10-8-17)26(34)31-23-13-11-19(28)15-22(23)27(35)32-25-14-12-20(29)16-30-25/h3-16H,1-2H3,(H,31,34)(H,30,32,35)
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n/an/a 0.900n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Coagulation factor X


Bioorg Med Chem Lett 14: 983-7 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.079
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50142129
PNG
(2'-(4-Hydroxy-piperidin-1-yl)-biphenyl-4-carboxyli...)
Show SMILES OC1CCN(CC1)c1ccccc1-c1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1
Show InChI InChI=1S/C30H26Cl2N4O3/c31-21-9-11-26(25(17-21)30(39)35-28-12-10-22(32)18-33-28)34-29(38)20-7-5-19(6-8-20)24-3-1-2-4-27(24)36-15-13-23(37)14-16-36/h1-12,17-18,23,37H,13-16H2,(H,34,38)(H,33,35,39)
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n/an/a 1n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against coagulation factor Xa.


Bioorg Med Chem Lett 14: 983-7 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.079
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50142126
PNG
(2'-Guanidinomethyl-biphenyl-4-carboxylic acid [4-c...)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-c1ccccc1-c1ccc(cc1)-[#6](=O)-[#7]-c1ccc(Cl)cc1-[#6](=O)-[#7]-c1ccc(Cl)cn1
Show InChI InChI=1S/C27H22Cl2N6O2/c28-19-9-11-23(22(13-19)26(37)35-24-12-10-20(29)15-32-24)34-25(36)17-7-5-16(6-8-17)21-4-2-1-3-18(21)14-33-27(30)31/h1-13,15H,14H2,(H,34,36)(H4,30,31,33)(H,32,35,37)
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Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against coagulation factor Xa.


Bioorg Med Chem Lett 14: 983-7 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.079
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50142118
PNG
(2'-Amino-biphenyl-4-carboxylic acid [4-chloro-2-(5...)
Show SMILES Nc1ccccc1-c1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1
Show InChI InChI=1S/C25H18Cl2N4O2/c26-17-9-11-22(20(13-17)25(33)31-23-12-10-18(27)14-29-23)30-24(32)16-7-5-15(6-8-16)19-3-1-2-4-21(19)28/h1-14H,28H2,(H,30,32)(H,29,31,33)
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Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against coagulation factor Xa.


Bioorg Med Chem Lett 14: 983-7 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.079
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50142089
PNG
(3'-Carbamimidoyl-biphenyl-4-carboxylic acid [4-chl...)
Show SMILES NC(=N)c1cccc(c1)-c1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1
Show InChI InChI=1S/C26H19Cl2N5O2/c27-19-8-10-22(21(13-19)26(35)33-23-11-9-20(28)14-31-23)32-25(34)16-6-4-15(5-7-16)17-2-1-3-18(12-17)24(29)30/h1-14H,(H3,29,30)(H,32,34)(H,31,33,35)
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Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Coagulation factor X


Bioorg Med Chem Lett 14: 983-7 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.079
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50142121
PNG
(1-{4'-[4-Chloro-2-(5-chloro-pyridin-2-ylcarbamoyl)...)
Show SMILES OC(=O)C1CCN(CC1)c1cccc(c1)-c1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1
Show InChI InChI=1S/C31H26Cl2N4O4/c32-23-8-10-27(26(17-23)30(39)36-28-11-9-24(33)18-34-28)35-29(38)20-6-4-19(5-7-20)22-2-1-3-25(16-22)37-14-12-21(13-15-37)31(40)41/h1-11,16-18,21H,12-15H2,(H,35,38)(H,40,41)(H,34,36,39)
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Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against coagulation factor Xa.


Bioorg Med Chem Lett 14: 983-7 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.079
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50142130
PNG
(3'-Amino-biphenyl-4-carboxylic acid [4-chloro-2-(5...)
Show SMILES Nc1cccc(c1)-c1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1
Show InChI InChI=1S/C25H18Cl2N4O2/c26-18-8-10-22(21(13-18)25(33)31-23-11-9-19(27)14-29-23)30-24(32)16-6-4-15(5-7-16)17-2-1-3-20(28)12-17/h1-14H,28H2,(H,30,32)(H,29,31,33)
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Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against coagulation factor Xa.


Bioorg Med Chem Lett 14: 983-7 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.079
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50142096
PNG
(3'-(N,N-Dimethyl-carbamimidoyl)-biphenyl-4-carboxy...)
Show SMILES CN(C)C(=N)c1cccc(c1)-c1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1
Show InChI InChI=1S/C28H23Cl2N5O2/c1-35(2)26(31)20-5-3-4-19(14-20)17-6-8-18(9-7-17)27(36)33-24-12-10-21(29)15-23(24)28(37)34-25-13-11-22(30)16-32-25/h3-16,31H,1-2H3,(H,33,36)(H,32,34,37)
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Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against coagulation factor Xa.


Bioorg Med Chem Lett 14: 983-7 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.079
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50142122
PNG
(3'-Methylamino-biphenyl-4-carboxylic acid [4-chlor...)
Show SMILES CNc1cccc(c1)-c1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1
Show InChI InChI=1S/C26H20Cl2N4O2/c1-29-21-4-2-3-18(13-21)16-5-7-17(8-6-16)25(33)31-23-11-9-19(27)14-22(23)26(34)32-24-12-10-20(28)15-30-24/h2-15,29H,1H3,(H,31,33)(H,30,32,34)
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Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against coagulation factor Xa.


Bioorg Med Chem Lett 14: 983-7 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.079
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50142127
PNG
(2'-Pyrrolidin-1-yl-biphenyl-4-carboxylic acid [4-c...)
Show SMILES Clc1ccc(NC(=O)c2cc(Cl)ccc2NC(=O)c2ccc(cc2)-c2ccccc2N2CCCC2)nc1
Show InChI InChI=1S/C29H24Cl2N4O2/c30-21-11-13-25(24(17-21)29(37)34-27-14-12-22(31)18-32-27)33-28(36)20-9-7-19(8-10-20)23-5-1-2-6-26(23)35-15-3-4-16-35/h1-2,5-14,17-18H,3-4,15-16H2,(H,33,36)(H,32,34,37)
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Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against coagulation factor Xa.


Bioorg Med Chem Lett 14: 983-7 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.079
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50142092
PNG
(2'-Piperidin-1-yl-biphenyl-4-carboxylic acid [4-ch...)
Show SMILES Clc1ccc(NC(=O)c2cc(Cl)ccc2NC(=O)c2ccc(cc2)-c2ccccc2N2CCCCC2)nc1
Show InChI InChI=1S/C30H26Cl2N4O2/c31-22-12-14-26(25(18-22)30(38)35-28-15-13-23(32)19-33-28)34-29(37)21-10-8-20(9-11-21)24-6-2-3-7-27(24)36-16-4-1-5-17-36/h2-3,6-15,18-19H,1,4-5,16-17H2,(H,34,37)(H,33,35,38)
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Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against coagulation factor Xa.


Bioorg Med Chem Lett 14: 983-7 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.079
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50142100
PNG
(2'-(4-Methyl-[1,4]diazepan-1-yl)-biphenyl-4-carbox...)
Show SMILES CN1CCCN(CC1)c1ccccc1-c1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1
Show InChI InChI=1S/C31H29Cl2N5O2/c1-37-15-4-16-38(18-17-37)28-6-3-2-5-25(28)21-7-9-22(10-8-21)30(39)35-27-13-11-23(32)19-26(27)31(40)36-29-14-12-24(33)20-34-29/h2-3,5-14,19-20H,4,15-18H2,1H3,(H,35,39)(H,34,36,40)
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Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against coagulation factor Xa.


Bioorg Med Chem Lett 14: 983-7 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.079
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50142087
PNG
(2'-Sulfamoyl-biphenyl-4-carboxylic acid [2-(5-brom...)
Show SMILES NS(=O)(=O)c1ccccc1-c1ccc(cc1)C(=O)Nc1ccccc1C(=O)Nc1ccc(Br)cn1
Show InChI InChI=1S/C25H19BrN4O4S/c26-18-13-14-23(28-15-18)30-25(32)20-6-1-3-7-21(20)29-24(31)17-11-9-16(10-12-17)19-5-2-4-8-22(19)35(27,33)34/h1-15H,(H,29,31)(H2,27,33,34)(H,28,30,32)
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Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against coagulation factor Xa.


Bioorg Med Chem Lett 14: 983-7 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.079
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50142120
PNG
(3'-Dimethylamino-biphenyl-4-carboxylic acid [4-chl...)
Show SMILES CN(C)c1cccc(c1)-c1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1
Show InChI InChI=1S/C27H22Cl2N4O2/c1-33(2)22-5-3-4-19(14-22)17-6-8-18(9-7-17)26(34)31-24-12-10-20(28)15-23(24)27(35)32-25-13-11-21(29)16-30-25/h3-16H,1-2H3,(H,31,34)(H,30,32,35)
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Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against coagulation factor Xa.


Bioorg Med Chem Lett 14: 983-7 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.079
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50142103
PNG
(2'-(4-Methyl-piperazin-1-yl)-biphenyl-4-carboxylic...)
Show SMILES CN1CCN(CC1)c1ccccc1-c1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1
Show InChI InChI=1S/C30H27Cl2N5O2/c1-36-14-16-37(17-15-36)27-5-3-2-4-24(27)20-6-8-21(9-7-20)29(38)34-26-12-10-22(31)18-25(26)30(39)35-28-13-11-23(32)19-33-28/h2-13,18-19H,14-17H2,1H3,(H,34,38)(H,33,35,39)
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Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against coagulation factor Xa.


Bioorg Med Chem Lett 14: 983-7 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.079
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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Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against coagulation factor Xa.


Bioorg Med Chem Lett 14: 983-7 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.079
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50142099
PNG
(2'-Morpholin-4-yl-biphenyl-4-carboxylic acid [4-ch...)
Show SMILES Clc1ccc(NC(=O)c2cc(Cl)ccc2NC(=O)c2ccc(cc2)-c2ccccc2N2CCOCC2)nc1
Show InChI InChI=1S/C29H24Cl2N4O3/c30-21-9-11-25(24(17-21)29(37)34-27-12-10-22(31)18-32-27)33-28(36)20-7-5-19(6-8-20)23-3-1-2-4-26(23)35-13-15-38-16-14-35/h1-12,17-18H,13-16H2,(H,33,36)(H,32,34,37)
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Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against coagulation factor Xa.


Bioorg Med Chem Lett 14: 983-7 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.079
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50142115
PNG
(2'-Methylamino-biphenyl-4-carboxylic acid [4-chlor...)
Show SMILES CNc1ccccc1-c1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1
Show InChI InChI=1S/C26H20Cl2N4O2/c1-29-22-5-3-2-4-20(22)16-6-8-17(9-7-16)25(33)31-23-12-10-18(27)14-21(23)26(34)32-24-13-11-19(28)15-30-24/h2-15,29H,1H3,(H,31,33)(H,30,32,34)
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Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against coagulation factor Xa.


Bioorg Med Chem Lett 14: 983-7 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.079
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50142106
PNG
(2'-Piperazin-1-yl-biphenyl-4-carboxylic acid [4-ch...)
Show SMILES Clc1ccc(NC(=O)c2cc(Cl)ccc2NC(=O)c2ccc(cc2)-c2ccccc2N2CCNCC2)nc1
Show InChI InChI=1S/C29H25Cl2N5O2/c30-21-9-11-25(24(17-21)29(38)35-27-12-10-22(31)18-33-27)34-28(37)20-7-5-19(6-8-20)23-3-1-2-4-26(23)36-15-13-32-14-16-36/h1-12,17-18,32H,13-16H2,(H,34,37)(H,33,35,38)
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Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Coagulation factor X


Bioorg Med Chem Lett 14: 983-7 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.079
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50142091
PNG
(3'-(Acetimidoylamino-methyl)-biphenyl-4-carboxylic...)
Show SMILES CC(=N)NCc1cccc(c1)-c1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1
Show InChI InChI=1S/C28H23Cl2N5O2/c1-17(31)32-15-18-3-2-4-21(13-18)19-5-7-20(8-6-19)27(36)34-25-11-9-22(29)14-24(25)28(37)35-26-12-10-23(30)16-33-26/h2-14,16H,15H2,1H3,(H2,31,32)(H,34,36)(H,33,35,37)
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n/an/a 4.40n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against coagulation factor Xa.


Bioorg Med Chem Lett 14: 983-7 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.079
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50142110
PNG
(2'-Sulfamoyl-biphenyl-4-carboxylic acid [4-amino-2...)
Show SMILES Nc1ccc(NC(=O)c2ccc(cc2)-c2ccccc2S(N)(=O)=O)c(c1)C(=O)Nc1ccc(Br)cn1
Show InChI InChI=1S/C25H20BrN5O4S/c26-17-9-12-23(29-14-17)31-25(33)20-13-18(27)10-11-21(20)30-24(32)16-7-5-15(6-8-16)19-3-1-2-4-22(19)36(28,34)35/h1-14H,27H2,(H,30,32)(H2,28,34,35)(H,29,31,33)
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n/an/a 4.60n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against coagulation factor Xa.


Bioorg Med Chem Lett 14: 983-7 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.079
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50142133
PNG
(3'-Pyrrolidin-1-yl-biphenyl-4-carboxylic acid [4-c...)
Show SMILES Clc1ccc(NC(=O)c2cc(Cl)ccc2NC(=O)c2ccc(cc2)-c2cccc(c2)N2CCCC2)nc1
Show InChI InChI=1S/C29H24Cl2N4O2/c30-22-10-12-26(25(17-22)29(37)34-27-13-11-23(31)18-32-27)33-28(36)20-8-6-19(7-9-20)21-4-3-5-24(16-21)35-14-1-2-15-35/h3-13,16-18H,1-2,14-15H2,(H,33,36)(H,32,34,37)
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n/an/a 5.30n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against coagulation factor Xa.


Bioorg Med Chem Lett 14: 983-7 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.079
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50142094
PNG
(2'-[1,4]Diazepan-1-yl-biphenyl-4-carboxylic acid [...)
Show SMILES Clc1ccc(NC(=O)c2cc(Cl)ccc2NC(=O)c2ccc(cc2)-c2ccccc2N2CCCNCC2)nc1
Show InChI InChI=1S/C30H27Cl2N5O2/c31-22-10-12-26(25(18-22)30(39)36-28-13-11-23(32)19-34-28)35-29(38)21-8-6-20(7-9-21)24-4-1-2-5-27(24)37-16-3-14-33-15-17-37/h1-2,4-13,18-19,33H,3,14-17H2,(H,35,38)(H,34,36,39)
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n/an/a 5.60n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Coagulation factor X


Bioorg Med Chem Lett 14: 983-7 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.079
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50142131
PNG
(2'-Sulfamoyl-biphenyl-4-carboxylic acid [5-amino-2...)
Show SMILES Nc1ccc(C(=O)Nc2ccc(Br)cn2)c(NC(=O)c2ccc(cc2)-c2ccccc2S(N)(=O)=O)c1
Show InChI InChI=1S/C25H20BrN5O4S/c26-17-9-12-23(29-14-17)31-25(33)20-11-10-18(27)13-21(20)30-24(32)16-7-5-15(6-8-16)19-3-1-2-4-22(19)36(28,34)35/h1-14H,27H2,(H,30,32)(H2,28,34,35)(H,29,31,33)
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n/an/a 6.20n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against coagulation factor Xa.


Bioorg Med Chem Lett 14: 983-7 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.079
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50142093
PNG
(2'-Sulfamoyl-biphenyl-4-carboxylic acid [2-(5-chlo...)
Show SMILES NS(=O)(=O)c1ccccc1-c1ccc(cc1)C(=O)Nc1ccccc1C(=O)Nc1ccc(Cl)cn1
Show InChI InChI=1S/C25H19ClN4O4S/c26-18-13-14-23(28-15-18)30-25(32)20-6-1-3-7-21(20)29-24(31)17-11-9-16(10-12-17)19-5-2-4-8-22(19)35(27,33)34/h1-15H,(H,29,31)(H2,27,33,34)(H,28,30,32)
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n/an/a 6.70n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against coagulation factor Xa.


Bioorg Med Chem Lett 14: 983-7 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.079
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50142101
PNG
(2'-Sulfamoyl-biphenyl-4-carboxylic acid [4-amino-2...)
Show SMILES Nc1ccc(NC(=O)c2ccc(cc2)-c2ccccc2S(N)(=O)=O)c(c1)C(=O)Nc1ccc(Cl)cn1
Show InChI InChI=1S/C25H20ClN5O4S/c26-17-9-12-23(29-14-17)31-25(33)20-13-18(27)10-11-21(20)30-24(32)16-7-5-15(6-8-16)19-3-1-2-4-22(19)36(28,34)35/h1-14H,27H2,(H,30,32)(H2,28,34,35)(H,29,31,33)
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n/an/a 6.70n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against coagulation factor Xa.


Bioorg Med Chem Lett 14: 983-7 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.079
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50142113
PNG
(3'-(4-Hydroxy-piperidin-1-yl)-biphenyl-4-carboxyli...)
Show SMILES OC1CCN(CC1)c1cccc(c1)-c1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1
Show InChI InChI=1S/C30H26Cl2N4O3/c31-22-8-10-27(26(17-22)30(39)35-28-11-9-23(32)18-33-28)34-29(38)20-6-4-19(5-7-20)21-2-1-3-24(16-21)36-14-12-25(37)13-15-36/h1-11,16-18,25,37H,12-15H2,(H,34,38)(H,33,35,39)
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n/an/a 7n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against coagulation factor Xa.


Bioorg Med Chem Lett 14: 983-7 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.079
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
Inhibitory concentration against coagulation factor Xa.


Bioorg Med Chem Lett 14: 983-7 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.079
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50142124
PNG
(3'-Guanidinomethyl-biphenyl-4-carboxylic acid [4-c...)
Show SMILES NC(=N)NCc1cccc(c1)-c1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1
Show InChI InChI=1S/C27H22Cl2N6O2/c28-20-8-10-23(22(13-20)26(37)35-24-11-9-21(29)15-32-24)34-25(36)18-6-4-17(5-7-18)19-3-1-2-16(12-19)14-33-27(30)31/h1-13,15H,14H2,(H,34,36)(H4,30,31,33)(H,32,35,37)
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n/an/a 9.5n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against coagulation factor Xa.


Bioorg Med Chem Lett 14: 983-7 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.079
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50142116
PNG
(2''-Sulfamoyl-biphenyl-4-carboxylic acid [2-(5-bro...)
Show SMILES NS(=O)(=O)c1ccccc1-c1ccc(cc1)C(=O)NCCC(=O)Nc1ccc(Br)cn1
Show InChI InChI=1S/C21H19BrN4O4S/c22-16-9-10-19(25-13-16)26-20(27)11-12-24-21(28)15-7-5-14(6-8-15)17-3-1-2-4-18(17)31(23,29)30/h1-10,13H,11-12H2,(H,24,28)(H2,23,29,30)(H,25,26,27)
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n/an/a 12n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against coagulation factor Xa.


Bioorg Med Chem Lett 14: 983-7 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.079
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50142105
PNG
(3'-Piperidin-1-yl-biphenyl-4-carboxylic acid [4-ch...)
Show SMILES Clc1ccc(NC(=O)c2cc(Cl)ccc2NC(=O)c2ccc(cc2)-c2cccc(c2)N2CCCCC2)nc1
Show InChI InChI=1S/C30H26Cl2N4O2/c31-23-11-13-27(26(18-23)30(38)35-28-14-12-24(32)19-33-28)34-29(37)21-9-7-20(8-10-21)22-5-4-6-25(17-22)36-15-2-1-3-16-36/h4-14,17-19H,1-3,15-16H2,(H,34,37)(H,33,35,38)
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n/an/a 16n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against coagulation factor Xa.


Bioorg Med Chem Lett 14: 983-7 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.079
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50142114
PNG
(CHEMBL368862 | N-(5-Chloro-pyridin-2-yl)-4-[(2'-su...)
Show SMILES NS(=O)(=O)c1ccccc1-c1ccc(cc1)C(=O)Nc1ccncc1C(=O)Nc1ccc(Cl)cn1
Show InChI InChI=1S/C24H18ClN5O4S/c25-17-9-10-22(28-13-17)30-24(32)19-14-27-12-11-20(19)29-23(31)16-7-5-15(6-8-16)18-3-1-2-4-21(18)35(26,33)34/h1-14H,(H2,26,33,34)(H,27,29,31)(H,28,30,32)
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n/an/a 18n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against coagulation factor Xa.


Bioorg Med Chem Lett 14: 983-7 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.079
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50142102
PNG
(3'-(4-Methyl-[1,4]diazepan-1-yl)-biphenyl-4-carbox...)
Show SMILES CN1CCCN(CC1)c1cccc(c1)-c1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1
Show InChI InChI=1S/C31H29Cl2N5O2/c1-37-14-3-15-38(17-16-37)26-5-2-4-23(18-26)21-6-8-22(9-7-21)30(39)35-28-12-10-24(32)19-27(28)31(40)36-29-13-11-25(33)20-34-29/h2,4-13,18-20H,3,14-17H2,1H3,(H,35,39)(H,34,36,40)
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n/an/a 22n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against coagulation factor Xa.


Bioorg Med Chem Lett 14: 983-7 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.079
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50142109
PNG
(3'-(4-Methyl-piperazin-1-yl)-biphenyl-4-carboxylic...)
Show SMILES CN1CCN(CC1)c1cccc(c1)-c1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1
Show InChI InChI=1S/C30H27Cl2N5O2/c1-36-13-15-37(16-14-36)25-4-2-3-22(17-25)20-5-7-21(8-6-20)29(38)34-27-11-9-23(31)18-26(27)30(39)35-28-12-10-24(32)19-33-28/h2-12,17-19H,13-16H2,1H3,(H,34,38)(H,33,35,39)
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n/an/a 23n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against coagulation factor Xa.


Bioorg Med Chem Lett 14: 983-7 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.079
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50142095
PNG
(CHEMBL441157 | N-(5-Chloro-pyridin-2-yl)-3-[(2'-su...)
Show SMILES NS(=O)(=O)c1ccccc1-c1ccc(cc1)C(=O)Nc1cnccc1C(=O)Nc1ccc(Cl)cn1
Show InChI InChI=1S/C24H18ClN5O4S/c25-17-9-10-22(28-13-17)30-24(32)19-11-12-27-14-20(19)29-23(31)16-7-5-15(6-8-16)18-3-1-2-4-21(18)35(26,33)34/h1-14H,(H,29,31)(H2,26,33,34)(H,28,30,32)
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n/an/a 23n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against coagulation factor Xa.


Bioorg Med Chem Lett 14: 983-7 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.079
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50142104
PNG
(3-[(2'-Sulfamoyl-biphenyl-4-carbonyl)-amino]-pyrid...)
Show SMILES NS(=O)(=O)c1ccccc1-c1ccc(cc1)C(=O)Nc1cccnc1C(=O)Nc1ccc(Cl)cn1
Show InChI InChI=1S/C24H18ClN5O4S/c25-17-11-12-21(28-14-17)30-24(32)22-19(5-3-13-27-22)29-23(31)16-9-7-15(8-10-16)18-4-1-2-6-20(18)35(26,33)34/h1-14H,(H,29,31)(H2,26,33,34)(H,28,30,32)
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n/an/a 26n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against coagulation factor Xa.


Bioorg Med Chem Lett 14: 983-7 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.079
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50142119
PNG
(3'-[1,4]Diazepan-1-yl-biphenyl-4-carboxylic acid [...)
Show SMILES Clc1ccc(NC(=O)c2cc(Cl)ccc2NC(=O)c2ccc(cc2)-c2cccc(c2)N2CCCNCC2)nc1
Show InChI InChI=1S/C30H27Cl2N5O2/c31-23-9-11-27(26(18-23)30(39)36-28-12-10-24(32)19-34-28)35-29(38)21-7-5-20(6-8-21)22-3-1-4-25(17-22)37-15-2-13-33-14-16-37/h1,3-12,17-19,33H,2,13-16H2,(H,35,38)(H,34,36,39)
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n/an/a 32n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against coagulation factor Xa.


Bioorg Med Chem Lett 14: 983-7 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.079
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50142088
PNG
(3'-Piperazin-1-yl-biphenyl-4-carboxylic acid [4-ch...)
Show SMILES Clc1ccc(NC(=O)c2cc(Cl)ccc2NC(=O)c2ccc(cc2)-c2cccc(c2)N2CCNCC2)nc1
Show InChI InChI=1S/C29H25Cl2N5O2/c30-22-8-10-26(25(17-22)29(38)35-27-11-9-23(31)18-33-27)34-28(37)20-6-4-19(5-7-20)21-2-1-3-24(16-21)36-14-12-32-13-15-36/h1-11,16-18,32H,12-15H2,(H,34,37)(H,33,35,38)
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n/an/a 39n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against coagulation factor Xa.


Bioorg Med Chem Lett 14: 983-7 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.079
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50142098
PNG
(CHEMBL175381 | N-(5-Chloro-pyridin-2-yl)-2-[(2'-su...)
Show SMILES NS(=O)(=O)c1ccccc1-c1ccc(cc1)C(=O)Nc1ncccc1C(=O)Nc1ccc(Cl)cn1
Show InChI InChI=1S/C24H18ClN5O4S/c25-17-11-12-21(28-14-17)29-24(32)19-5-3-13-27-22(19)30-23(31)16-9-7-15(8-10-16)18-4-1-2-6-20(18)35(26,33)34/h1-14H,(H2,26,33,34)(H,27,30,31)(H,28,29,32)
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n/an/a 48n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against coagulation factor Xa.


Bioorg Med Chem Lett 14: 983-7 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.079
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50142128
PNG
(4'-(N,N-Dimethyl-carbamimidoyl)-biphenyl-4-carboxy...)
Show SMILES CN(C)C(=N)c1ccc(cc1)-c1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1
Show InChI InChI=1S/C28H23Cl2N5O2/c1-35(2)26(31)19-7-3-17(4-8-19)18-5-9-20(10-6-18)27(36)33-24-13-11-21(29)15-23(24)28(37)34-25-14-12-22(30)16-32-25/h3-16,31H,1-2H3,(H,33,36)(H,32,34,37)
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n/an/a 60n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against coagulation factor Xa.


Bioorg Med Chem Lett 14: 983-7 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.079
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50142097
PNG
(4'-Carbamimidoyl-biphenyl-4-carboxylic acid [4-chl...)
Show SMILES NC(=N)c1ccc(cc1)-c1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1
Show InChI InChI=1S/C26H19Cl2N5O2/c27-19-9-11-22(21(13-19)26(35)33-23-12-10-20(28)14-31-23)32-25(34)18-7-3-16(4-8-18)15-1-5-17(6-2-15)24(29)30/h1-14H,(H3,29,30)(H,32,34)(H,31,33,35)
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n/an/a 66n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against coagulation factor Xa.


Bioorg Med Chem Lett 14: 983-7 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.079
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50142132
PNG
(2'-Aminomethyl-biphenyl-4-carboxylic acid [2-(5-ch...)
Show SMILES NCc1ccccc1-c1ccc(cc1)C(=O)Nc1ccccc1C(=O)Nc1ccc(Cl)cn1
Show InChI InChI=1S/C26H21ClN4O2/c27-20-13-14-24(29-16-20)31-26(33)22-7-3-4-8-23(22)30-25(32)18-11-9-17(10-12-18)21-6-2-1-5-19(21)15-28/h1-14,16H,15,28H2,(H,30,32)(H,29,31,33)
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n/an/a 67n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against coagulation factor Xa.


Bioorg Med Chem Lett 14: 983-7 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.079
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50142123
PNG
(3'-Morpholin-4-yl-biphenyl-4-carboxylic acid [4-ch...)
Show SMILES Clc1ccc(NC(=O)c2cc(Cl)ccc2NC(=O)c2ccc(cc2)-c2cccc(c2)N2CCOCC2)nc1
Show InChI InChI=1S/C29H24Cl2N4O3/c30-22-8-10-26(25(17-22)29(37)34-27-11-9-23(31)18-32-27)33-28(36)20-6-4-19(5-7-20)21-2-1-3-24(16-21)35-12-14-38-15-13-35/h1-11,16-18H,12-15H2,(H,33,36)(H,32,34,37)
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n/an/a 74n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against coagulation factor Xa.


Bioorg Med Chem Lett 14: 983-7 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.079
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50142108
PNG
(2'-Sulfamoyl-biphenyl-4-carboxylic acid [2-(5-brom...)
Show SMILES NS(=O)(=O)c1ccccc1-c1ccc(cc1)C(=O)Nc1ccc(cc1C(=O)Nc1ccc(Br)cn1)-n1ccnc1
Show InChI InChI=1S/C28H21BrN6O4S/c29-20-9-12-26(32-16-20)34-28(37)23-15-21(35-14-13-31-17-35)10-11-24(23)33-27(36)19-7-5-18(6-8-19)22-3-1-2-4-25(22)40(30,38)39/h1-17H,(H,33,36)(H2,30,38,39)(H,32,34,37)
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n/an/a 128n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against coagulation factor Xa.


Bioorg Med Chem Lett 14: 983-7 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.079
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50142107
PNG
(2'-Sulfamoyl-biphenyl-4-carboxylic acid [4-acetyla...)
Show SMILES CC(=O)Nc1ccc(NC(=O)c2ccc(cc2)-c2ccccc2S(N)(=O)=O)c(c1)C(=O)Nc1ccc(Br)cn1
Show InChI InChI=1S/C27H22BrN5O5S/c1-16(34)31-20-11-12-23(22(14-20)27(36)33-25-13-10-19(28)15-30-25)32-26(35)18-8-6-17(7-9-18)21-4-2-3-5-24(21)39(29,37)38/h2-15H,1H3,(H,31,34)(H,32,35)(H2,29,37,38)(H,30,33,36)
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n/an/a 370n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against coagulation factor Xa.


Bioorg Med Chem Lett 14: 983-7 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.079
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50142117
PNG
(2'-Sulfamoyl-biphenyl-4-carboxylic acid [2-(5-brom...)
Show SMILES CN1CCN(CC1)c1ccc(NC(=O)c2ccc(cc2)-c2ccccc2S(N)(=O)=O)c(c1)C(=O)Nc1ccc(Br)cn1
Show InChI InChI=1S/C30H29BrN6O4S/c1-36-14-16-37(17-15-36)23-11-12-26(25(18-23)30(39)35-28-13-10-22(31)19-33-28)34-29(38)21-8-6-20(7-9-21)24-4-2-3-5-27(24)42(32,40)41/h2-13,18-19H,14-17H2,1H3,(H,34,38)(H2,32,40,41)(H,33,35,39)
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n/an/a 1.55E+3n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against coagulation factor Xa.


Bioorg Med Chem Lett 14: 983-7 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.079
More data for this
Ligand-Target Pair
Kallikrein-1 (KLK1)


(Homo sapiens (Human))
BDBM50142087
PNG
(2'-Sulfamoyl-biphenyl-4-carboxylic acid [2-(5-brom...)
Show SMILES NS(=O)(=O)c1ccccc1-c1ccc(cc1)C(=O)Nc1ccccc1C(=O)Nc1ccc(Br)cn1
Show InChI InChI=1S/C25H19BrN4O4S/c26-18-13-14-23(28-15-18)30-25(32)20-6-1-3-7-21(20)29-24(31)17-11-9-16(10-12-17)19-5-2-4-8-22(19)35(27,33)34/h1-15H,(H,29,31)(H2,27,33,34)(H,28,30,32)
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n/an/a 2.10E+3n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against kallikrein was determined


Bioorg Med Chem Lett 14: 983-7 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.079
More data for this
Ligand-Target Pair
Tissue-type plasminogen activator


(Homo sapiens (Human))
BDBM50142087
PNG
(2'-Sulfamoyl-biphenyl-4-carboxylic acid [2-(5-brom...)
Show SMILES NS(=O)(=O)c1ccccc1-c1ccc(cc1)C(=O)Nc1ccccc1C(=O)Nc1ccc(Br)cn1
Show InChI InChI=1S/C25H19BrN4O4S/c26-18-13-14-23(28-15-18)30-25(32)20-6-1-3-7-21(20)29-24(31)17-11-9-16(10-12-17)19-5-2-4-8-22(19)35(27,33)34/h1-15H,(H,29,31)(H2,27,33,34)(H,28,30,32)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against tissue type plasminogen activator was determined


Bioorg Med Chem Lett 14: 983-7 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.079
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50142087
PNG
(2'-Sulfamoyl-biphenyl-4-carboxylic acid [2-(5-brom...)
Show SMILES NS(=O)(=O)c1ccccc1-c1ccc(cc1)C(=O)Nc1ccccc1C(=O)Nc1ccc(Br)cn1
Show InChI InChI=1S/C25H19BrN4O4S/c26-18-13-14-23(28-15-18)30-25(32)20-6-1-3-7-21(20)29-24(31)17-11-9-16(10-12-17)19-5-2-4-8-22(19)35(27,33)34/h1-15H,(H,29,31)(H2,27,33,34)(H,28,30,32)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against trypsin was determined


Bioorg Med Chem Lett 14: 983-7 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.079
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (Human))
BDBM50142087
PNG
(2'-Sulfamoyl-biphenyl-4-carboxylic acid [2-(5-brom...)
Show SMILES NS(=O)(=O)c1ccccc1-c1ccc(cc1)C(=O)Nc1ccccc1C(=O)Nc1ccc(Br)cn1
Show InChI InChI=1S/C25H19BrN4O4S/c26-18-13-14-23(28-15-18)30-25(32)20-6-1-3-7-21(20)29-24(31)17-11-9-16(10-12-17)19-5-2-4-8-22(19)35(27,33)34/h1-15H,(H,29,31)(H2,27,33,34)(H,28,30,32)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against trypsin was determined


Bioorg Med Chem Lett 14: 983-7 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.079
More data for this
Ligand-Target Pair
Plasmin


(Rattus norvegicus)
BDBM50142087
PNG
(2'-Sulfamoyl-biphenyl-4-carboxylic acid [2-(5-brom...)
Show SMILES NS(=O)(=O)c1ccccc1-c1ccc(cc1)C(=O)Nc1ccccc1C(=O)Nc1ccc(Br)cn1
Show InChI InChI=1S/C25H19BrN4O4S/c26-18-13-14-23(28-15-18)30-25(32)20-6-1-3-7-21(20)29-24(31)17-11-9-16(10-12-17)19-5-2-4-8-22(19)35(27,33)34/h1-15H,(H,29,31)(H2,27,33,34)(H,28,30,32)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against plasmin was determined


Bioorg Med Chem Lett 14: 983-7 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.079
More data for this
Ligand-Target Pair
Vitamin K-dependent protein C


(Homo sapiens (Human))
BDBM50142087
PNG
(2'-Sulfamoyl-biphenyl-4-carboxylic acid [2-(5-brom...)
Show SMILES NS(=O)(=O)c1ccccc1-c1ccc(cc1)C(=O)Nc1ccccc1C(=O)Nc1ccc(Br)cn1
Show InChI InChI=1S/C25H19BrN4O4S/c26-18-13-14-23(28-15-18)30-25(32)20-6-1-3-7-21(20)29-24(31)17-11-9-16(10-12-17)19-5-2-4-8-22(19)35(27,33)34/h1-15H,(H,29,31)(H2,27,33,34)(H,28,30,32)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against activated protein C was determined


Bioorg Med Chem Lett 14: 983-7 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.079
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%