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59 similar compounds to monomer 50142152

Compile data set for download or QSAR
Wt: 589.4
BDBM50142111
Wt: 505.3
BDBM50142112
Wt: 525.4
BDBM50142144
Wt: 443.3
BDBM50142146
Wt: 561.4
BDBM50142113
Wt: 491.3
BDBM50142115
Wt: 477.3
BDBM50142118
Wt: 430.2
BDBM50142149
Wt: 484.3
BDBM50142150
Wt: 473.3
BDBM50142151
Wt: 429.2
BDBM50142153
Wt: 458.3
BDBM50142154
Wt: 469.3
BDBM50142155
Wt: 500.4
BDBM50142156
Wt: 484.3
BDBM50142159
Displayed 1 to 15 (of 59 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 73 hits for monomerid = 50142111,50142112,50142144,50142146,50142113,50142115,50142118,50142149,50142150,50142151,50142153,50142154,50142155,50142156,50142159   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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
BindingDB Entry DOI: 10.7270/Q21V5DF7
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
BindingDB Entry DOI: 10.7270/Q21V5DF7
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
BindingDB Entry DOI: 10.7270/Q21V5DF7
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50142154
PNG
(CHEMBL174499 | {4-[4-Chloro-2-(5-chloro-pyridin-2-...)
Show SMILES C[N+](C)(C)Cc1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1
Show InChI InChI=1S/C23H22Cl2N4O2/c1-29(2,3)14-15-4-6-16(7-5-15)22(30)27-20-10-8-17(24)12-19(20)23(31)28-21-11-9-18(25)13-26-21/h4-13H,14H2,1-3H3,(H-,26,27,28,30,31)/p+1
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1n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Coagulation factor X


Bioorg Med Chem Lett 14: 989-93 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.080
BindingDB Entry DOI: 10.7270/Q2X34WXD
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50142146
PNG
(5-Chloro-N-(5-chloro-pyridin-2-yl)-2-(4-dimethylam...)
Show SMILES CN(C)Cc1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1
Show InChI InChI=1S/C22H20Cl2N4O2/c1-28(2)13-14-3-5-15(6-4-14)21(29)26-19-9-7-16(23)11-18(19)22(30)27-20-10-8-17(24)12-25-20/h3-12H,13H2,1-2H3,(H,26,29)(H,25,27,30)
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1.30n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of factor 10a


J Med Chem 53: 6243-74 (2010)


Article DOI: 10.1021/jm100146h
BindingDB Entry DOI: 10.7270/Q2CR5VBB
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50142146
PNG
(5-Chloro-N-(5-chloro-pyridin-2-yl)-2-(4-dimethylam...)
Show SMILES CN(C)Cc1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1
Show InChI InChI=1S/C22H20Cl2N4O2/c1-28(2)13-14-3-5-15(6-4-14)21(29)26-19-9-7-16(23)11-18(19)22(30)27-20-10-8-17(24)12-25-20/h3-12H,13H2,1-2H3,(H,26,29)(H,25,27,30)
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1.30n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Coagulation factor X


Bioorg Med Chem Lett 14: 989-93 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.080
BindingDB Entry DOI: 10.7270/Q2X34WXD
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
BindingDB Entry DOI: 10.7270/Q21V5DF7
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50142146
PNG
(5-Chloro-N-(5-chloro-pyridin-2-yl)-2-(4-dimethylam...)
Show SMILES CN(C)Cc1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1
Show InChI InChI=1S/C22H20Cl2N4O2/c1-28(2)13-14-3-5-15(6-4-14)21(29)26-19-9-7-16(23)11-18(19)22(30)27-20-10-8-17(24)12-25-20/h3-12H,13H2,1-2H3,(H,26,29)(H,25,27,30)
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n/an/a 4n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against coagulation factor X.


Bioorg Med Chem Lett 14: 989-93 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.080
BindingDB Entry DOI: 10.7270/Q2X34WXD
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
BindingDB Entry DOI: 10.7270/Q21V5DF7
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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n/an/a 1.30n/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
BindingDB Entry DOI: 10.7270/Q21V5DF7
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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n/an/a 4.10n/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
BindingDB Entry DOI: 10.7270/Q21V5DF7
More data for this
Ligand-Target Pair
Tissue-type plasminogen activator


(Homo sapiens (Human))
BDBM50142144
PNG
(5-Chloro-N-(5-chloro-pyridin-2-yl)-2-{4-[4-(1-imin...)
Show SMILES CC(=N)N1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)CC1
Show InChI InChI=1S/C26H26Cl2N6O2/c1-17(29)34-12-10-33(11-13-34)16-18-2-4-19(5-3-18)25(35)31-23-8-6-20(27)14-22(23)26(36)32-24-9-7-21(28)15-30-24/h2-9,14-15,29H,10-13,16H2,1H3,(H,31,35)(H,30,32,36)
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n/an/a>1.10E+4n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against tissue type plasminogen activator.


Bioorg Med Chem Lett 14: 989-93 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.080
BindingDB Entry DOI: 10.7270/Q2X34WXD
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50142149
PNG
(5-Chloro-N-(5-chloro-pyridin-2-yl)-2-(4-hydrazinom...)
Show SMILES NNCc1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1
Show InChI InChI=1S/C20H17Cl2N5O2/c21-14-5-7-17(26-19(28)13-3-1-12(2-4-13)10-25-23)16(9-14)20(29)27-18-8-6-15(22)11-24-18/h1-9,11,25H,10,23H2,(H,26,28)(H,24,27,29)
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n/an/a>1.10E+4n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against plasmin.


Bioorg Med Chem Lett 14: 989-93 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.080
BindingDB Entry DOI: 10.7270/Q2X34WXD
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM50142146
PNG
(5-Chloro-N-(5-chloro-pyridin-2-yl)-2-(4-dimethylam...)
Show SMILES CN(C)Cc1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1
Show InChI InChI=1S/C22H20Cl2N4O2/c1-28(2)13-14-3-5-15(6-4-14)21(29)26-19-9-7-16(23)11-18(19)22(30)27-20-10-8-17(24)12-25-20/h3-12H,13H2,1-2H3,(H,26,29)(H,25,27,30)
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n/an/a 500n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against kallikrein


Bioorg Med Chem Lett 14: 989-93 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.080
BindingDB Entry DOI: 10.7270/Q2X34WXD
More data for this
Ligand-Target Pair
Tissue-type plasminogen activator


(Homo sapiens (Human))
BDBM50142150
PNG
(1-{4-[4-Chloro-2-(5-chloro-pyridin-2-ylcarbamoyl)-...)
Show SMILES C[N+]1(Cc2ccc(cc2)C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)CCCC1
Show InChI InChI=1S/C25H24Cl2N4O2/c1-31(12-2-3-13-31)16-17-4-6-18(7-5-17)24(32)29-22-10-8-19(26)14-21(22)25(33)30-23-11-9-20(27)15-28-23/h4-11,14-15H,2-3,12-13,16H2,1H3,(H-,28,29,30,32,33)/p+1
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n/an/a>1.10E+4n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against tissue type plasminogen activator.


Bioorg Med Chem Lett 14: 989-93 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.080
BindingDB Entry DOI: 10.7270/Q2X34WXD
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50142151
PNG
(5-Chloro-N-(5-chloro-pyridin-2-yl)-2-(4-{[(2-hydro...)
Show SMILES CN(CCO)Cc1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1
Show InChI InChI=1S/C23H22Cl2N4O3/c1-29(10-11-30)14-15-2-4-16(5-3-15)22(31)27-20-8-6-17(24)12-19(20)23(32)28-21-9-7-18(25)13-26-21/h2-9,12-13,30H,10-11,14H2,1H3,(H,27,31)(H,26,28,32)
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n/an/a 82n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against coagulation factor X.


Bioorg Med Chem Lett 14: 989-93 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.080
BindingDB Entry DOI: 10.7270/Q2X34WXD
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50142153
PNG
(5-Chloro-N-(5-chloro-pyridin-2-yl)-2-(4-methylamin...)
Show SMILES CNCc1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1
Show InChI InChI=1S/C21H18Cl2N4O2/c1-24-11-13-2-4-14(5-3-13)20(28)26-18-8-6-15(22)10-17(18)21(29)27-19-9-7-16(23)12-25-19/h2-10,12,24H,11H2,1H3,(H,26,28)(H,25,27,29)
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n/an/a 7n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against coagulation factor X.


Bioorg Med Chem Lett 14: 989-93 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.080
BindingDB Entry DOI: 10.7270/Q2X34WXD
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50142155
PNG
(5-Chloro-N-(5-chloro-pyridin-2-yl)-2-(4-pyrrolidin...)
Show SMILES Clc1ccc(NC(=O)c2cc(Cl)ccc2NC(=O)c2ccc(CN3CCCC3)cc2)nc1
Show InChI InChI=1S/C24H22Cl2N4O2/c25-18-7-9-21(20(13-18)24(32)29-22-10-8-19(26)14-27-22)28-23(31)17-5-3-16(4-6-17)15-30-11-1-2-12-30/h3-10,13-14H,1-2,11-12,15H2,(H,28,31)(H,27,29,32)
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n/an/a 16n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against coagulation factor X.


Bioorg Med Chem Lett 14: 989-93 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.080
BindingDB Entry DOI: 10.7270/Q2X34WXD
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (Human))
BDBM50142156
PNG
(5-Chloro-N-(5-chloro-pyridin-2-yl)-2-(4-{[(2-dimet...)
Show SMILES CN(C)CCN(C)Cc1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1
Show InChI InChI=1S/C25H27Cl2N5O2/c1-31(2)12-13-32(3)16-17-4-6-18(7-5-17)24(33)29-22-10-8-19(26)14-21(22)25(34)30-23-11-9-20(27)15-28-23/h4-11,14-15H,12-13,16H2,1-3H3,(H,29,33)(H,28,30,34)
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n/an/a>1.10E+4n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against trypsin.


Bioorg Med Chem Lett 14: 989-93 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.080
BindingDB Entry DOI: 10.7270/Q2X34WXD
More data for this
Ligand-Target Pair
Tissue-type plasminogen activator


(Homo sapiens (Human))
BDBM50142154
PNG
(CHEMBL174499 | {4-[4-Chloro-2-(5-chloro-pyridin-2-...)
Show SMILES C[N+](C)(C)Cc1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1
Show InChI InChI=1S/C23H22Cl2N4O2/c1-29(2,3)14-15-4-6-16(7-5-15)22(30)27-20-10-8-17(24)12-19(20)23(31)28-21-11-9-18(25)13-26-21/h4-13H,14H2,1-3H3,(H-,26,27,28,30,31)/p+1
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n/an/a>1.10E+4n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against tissue type plasminogen activator.


Bioorg Med Chem Lett 14: 989-93 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.080
BindingDB Entry DOI: 10.7270/Q2X34WXD
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (Human))
BDBM50142151
PNG
(5-Chloro-N-(5-chloro-pyridin-2-yl)-2-(4-{[(2-hydro...)
Show SMILES CN(CCO)Cc1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1
Show InChI InChI=1S/C23H22Cl2N4O3/c1-29(10-11-30)14-15-2-4-16(5-3-15)22(31)27-20-8-6-17(24)12-19(20)23(32)28-21-9-7-18(25)13-26-21/h2-9,12-13,30H,10-11,14H2,1H3,(H,27,31)(H,26,28,32)
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n/an/a>1.10E+4n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against trypsin.


Bioorg Med Chem Lett 14: 989-93 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.080
BindingDB Entry DOI: 10.7270/Q2X34WXD
More data for this
Ligand-Target Pair
Tissue-type plasminogen activator


(Homo sapiens (Human))
BDBM50142159
PNG
(5-Chloro-N-(5-chloro-pyridin-2-yl)-2-(4-piperazin-...)
Show SMILES Clc1ccc(NC(=O)c2cc(Cl)ccc2NC(=O)c2ccc(CN3CCNCC3)cc2)nc1
Show InChI InChI=1S/C24H23Cl2N5O2/c25-18-5-7-21(20(13-18)24(33)30-22-8-6-19(26)14-28-22)29-23(32)17-3-1-16(2-4-17)15-31-11-9-27-10-12-31/h1-8,13-14,27H,9-12,15H2,(H,29,32)(H,28,30,33)
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Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against tissue type plasminogen activator.


Bioorg Med Chem Lett 14: 989-93 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.080
BindingDB Entry DOI: 10.7270/Q2X34WXD
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50142159
PNG
(5-Chloro-N-(5-chloro-pyridin-2-yl)-2-(4-piperazin-...)
Show SMILES Clc1ccc(NC(=O)c2cc(Cl)ccc2NC(=O)c2ccc(CN3CCNCC3)cc2)nc1
Show InChI InChI=1S/C24H23Cl2N5O2/c25-18-5-7-21(20(13-18)24(33)30-22-8-6-19(26)14-28-22)29-23(32)17-3-1-16(2-4-17)15-31-11-9-27-10-12-31/h1-8,13-14,27H,9-12,15H2,(H,29,32)(H,28,30,33)
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Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against thrombin.


Bioorg Med Chem Lett 14: 989-93 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.080
BindingDB Entry DOI: 10.7270/Q2X34WXD
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50142155
PNG
(5-Chloro-N-(5-chloro-pyridin-2-yl)-2-(4-pyrrolidin...)
Show SMILES Clc1ccc(NC(=O)c2cc(Cl)ccc2NC(=O)c2ccc(CN3CCCC3)cc2)nc1
Show InChI InChI=1S/C24H22Cl2N4O2/c25-18-7-9-21(20(13-18)24(32)29-22-10-8-19(26)14-27-22)28-23(31)17-5-3-16(4-6-17)15-30-11-1-2-12-30/h3-10,13-14H,1-2,11-12,15H2,(H,28,31)(H,27,29,32)
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Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against plasmin.


Bioorg Med Chem Lett 14: 989-93 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.080
BindingDB Entry DOI: 10.7270/Q2X34WXD
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (Human))
BDBM50142146
PNG
(5-Chloro-N-(5-chloro-pyridin-2-yl)-2-(4-dimethylam...)
Show SMILES CN(C)Cc1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1
Show InChI InChI=1S/C22H20Cl2N4O2/c1-28(2)13-14-3-5-15(6-4-14)21(29)26-19-9-7-16(23)11-18(19)22(30)27-20-10-8-17(24)12-25-20/h3-12H,13H2,1-2H3,(H,26,29)(H,25,27,30)
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Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against trypsin.


Bioorg Med Chem Lett 14: 989-93 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.080
BindingDB Entry DOI: 10.7270/Q2X34WXD
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50142150
PNG
(1-{4-[4-Chloro-2-(5-chloro-pyridin-2-ylcarbamoyl)-...)
Show SMILES C[N+]1(Cc2ccc(cc2)C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)CCCC1
Show InChI InChI=1S/C25H24Cl2N4O2/c1-31(12-2-3-13-31)16-17-4-6-18(7-5-17)24(32)29-22-10-8-19(26)14-21(22)25(33)30-23-11-9-20(27)15-28-23/h4-11,14-15H,2-3,12-13,16H2,1H3,(H-,28,29,30,32,33)/p+1
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Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against plasmin.


Bioorg Med Chem Lett 14: 989-93 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.080
BindingDB Entry DOI: 10.7270/Q2X34WXD
More data for this
Ligand-Target Pair
Tissue-type plasminogen activator


(Homo sapiens (Human))
BDBM50142155
PNG
(5-Chloro-N-(5-chloro-pyridin-2-yl)-2-(4-pyrrolidin...)
Show SMILES Clc1ccc(NC(=O)c2cc(Cl)ccc2NC(=O)c2ccc(CN3CCCC3)cc2)nc1
Show InChI InChI=1S/C24H22Cl2N4O2/c25-18-7-9-21(20(13-18)24(32)29-22-10-8-19(26)14-27-22)28-23(31)17-5-3-16(4-6-17)15-30-11-1-2-12-30/h3-10,13-14H,1-2,11-12,15H2,(H,28,31)(H,27,29,32)
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Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against tissue type plasminogen activator.


Bioorg Med Chem Lett 14: 989-93 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.080
BindingDB Entry DOI: 10.7270/Q2X34WXD
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50142154
PNG
(CHEMBL174499 | {4-[4-Chloro-2-(5-chloro-pyridin-2-...)
Show SMILES C[N+](C)(C)Cc1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1
Show InChI InChI=1S/C23H22Cl2N4O2/c1-29(2,3)14-15-4-6-16(7-5-15)22(30)27-20-10-8-17(24)12-19(20)23(31)28-21-11-9-18(25)13-26-21/h4-13H,14H2,1-3H3,(H-,26,27,28,30,31)/p+1
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n/an/a 0.800n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against coagulation factor X.


Bioorg Med Chem Lett 14: 989-93 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.080
BindingDB Entry DOI: 10.7270/Q2X34WXD
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50142150
PNG
(1-{4-[4-Chloro-2-(5-chloro-pyridin-2-ylcarbamoyl)-...)
Show SMILES C[N+]1(Cc2ccc(cc2)C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)CCCC1
Show InChI InChI=1S/C25H24Cl2N4O2/c1-31(12-2-3-13-31)16-17-4-6-18(7-5-17)24(32)29-22-10-8-19(26)14-21(22)25(33)30-23-11-9-20(27)15-28-23/h4-11,14-15H,2-3,12-13,16H2,1H3,(H-,28,29,30,32,33)/p+1
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Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against thrombin.


Bioorg Med Chem Lett 14: 989-93 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.080
BindingDB Entry DOI: 10.7270/Q2X34WXD
More data for this
Ligand-Target Pair
Tissue-type plasminogen activator


(Homo sapiens (Human))
BDBM50142146
PNG
(5-Chloro-N-(5-chloro-pyridin-2-yl)-2-(4-dimethylam...)
Show SMILES CN(C)Cc1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1
Show InChI InChI=1S/C22H20Cl2N4O2/c1-28(2)13-14-3-5-15(6-4-14)21(29)26-19-9-7-16(23)11-18(19)22(30)27-20-10-8-17(24)12-25-20/h3-12H,13H2,1-2H3,(H,26,29)(H,25,27,30)
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Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against tissue type plasminogen activator.


Bioorg Med Chem Lett 14: 989-93 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.080
BindingDB Entry DOI: 10.7270/Q2X34WXD
More data for this
Ligand-Target Pair
Tissue-type plasminogen activator


(Homo sapiens (Human))
BDBM50142156
PNG
(5-Chloro-N-(5-chloro-pyridin-2-yl)-2-(4-{[(2-dimet...)
Show SMILES CN(C)CCN(C)Cc1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1
Show InChI InChI=1S/C25H27Cl2N5O2/c1-31(2)12-13-32(3)16-17-4-6-18(7-5-17)24(33)29-22-10-8-19(26)14-21(22)25(34)30-23-11-9-20(27)15-28-23/h4-11,14-15H,12-13,16H2,1-3H3,(H,29,33)(H,28,30,34)
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Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against tissue type plasminogen activator.


Bioorg Med Chem Lett 14: 989-93 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.080
BindingDB Entry DOI: 10.7270/Q2X34WXD
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (Human))
BDBM50142150
PNG
(1-{4-[4-Chloro-2-(5-chloro-pyridin-2-ylcarbamoyl)-...)
Show SMILES C[N+]1(Cc2ccc(cc2)C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)CCCC1
Show InChI InChI=1S/C25H24Cl2N4O2/c1-31(12-2-3-13-31)16-17-4-6-18(7-5-17)24(32)29-22-10-8-19(26)14-21(22)25(33)30-23-11-9-20(27)15-28-23/h4-11,14-15H,2-3,12-13,16H2,1H3,(H-,28,29,30,32,33)/p+1
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Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against trypsin.


Bioorg Med Chem Lett 14: 989-93 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.080
BindingDB Entry DOI: 10.7270/Q2X34WXD
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50142144
PNG
(5-Chloro-N-(5-chloro-pyridin-2-yl)-2-{4-[4-(1-imin...)
Show SMILES CC(=N)N1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)CC1
Show InChI InChI=1S/C26H26Cl2N6O2/c1-17(29)34-12-10-33(11-13-34)16-18-2-4-19(5-3-18)25(35)31-23-8-6-20(27)14-22(23)26(36)32-24-9-7-21(28)15-30-24/h2-9,14-15,29H,10-13,16H2,1H3,(H,31,35)(H,30,32,36)
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Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against thrombin.


Bioorg Med Chem Lett 14: 989-93 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.080
BindingDB Entry DOI: 10.7270/Q2X34WXD
More data for this
Ligand-Target Pair
Vitamin K-dependent protein C


(Homo sapiens (Human))
BDBM50142151
PNG
(5-Chloro-N-(5-chloro-pyridin-2-yl)-2-(4-{[(2-hydro...)
Show SMILES CN(CCO)Cc1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1
Show InChI InChI=1S/C23H22Cl2N4O3/c1-29(10-11-30)14-15-2-4-16(5-3-15)22(31)27-20-8-6-17(24)12-19(20)23(32)28-21-9-7-18(25)13-26-21/h2-9,12-13,30H,10-11,14H2,1H3,(H,27,31)(H,26,28,32)
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Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against activated protein C


Bioorg Med Chem Lett 14: 989-93 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.080
BindingDB Entry DOI: 10.7270/Q2X34WXD
More data for this
Ligand-Target Pair
Vitamin K-dependent protein C


(Homo sapiens (Human))
BDBM50142146
PNG
(5-Chloro-N-(5-chloro-pyridin-2-yl)-2-(4-dimethylam...)
Show SMILES CN(C)Cc1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1
Show InChI InChI=1S/C22H20Cl2N4O2/c1-28(2)13-14-3-5-15(6-4-14)21(29)26-19-9-7-16(23)11-18(19)22(30)27-20-10-8-17(24)12-25-20/h3-12H,13H2,1-2H3,(H,26,29)(H,25,27,30)
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Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against activated protein C


Bioorg Med Chem Lett 14: 989-93 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.080
BindingDB Entry DOI: 10.7270/Q2X34WXD
More data for this
Ligand-Target Pair
Vitamin K-dependent protein C


(Homo sapiens (Human))
BDBM50142159
PNG
(5-Chloro-N-(5-chloro-pyridin-2-yl)-2-(4-piperazin-...)
Show SMILES Clc1ccc(NC(=O)c2cc(Cl)ccc2NC(=O)c2ccc(CN3CCNCC3)cc2)nc1
Show InChI InChI=1S/C24H23Cl2N5O2/c25-18-5-7-21(20(13-18)24(33)30-22-8-6-19(26)14-28-22)29-23(32)17-3-1-16(2-4-17)15-31-11-9-27-10-12-31/h1-8,13-14,27H,9-12,15H2,(H,29,32)(H,28,30,33)
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n/an/a>1.10E+4n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against activated protein C


Bioorg Med Chem Lett 14: 989-93 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.080
BindingDB Entry DOI: 10.7270/Q2X34WXD
More data for this
Ligand-Target Pair
Tissue-type plasminogen activator


(Homo sapiens (Human))
BDBM50142153
PNG
(5-Chloro-N-(5-chloro-pyridin-2-yl)-2-(4-methylamin...)
Show SMILES CNCc1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1
Show InChI InChI=1S/C21H18Cl2N4O2/c1-24-11-13-2-4-14(5-3-13)20(28)26-18-8-6-15(22)10-17(18)21(29)27-19-9-7-16(23)12-25-19/h2-10,12,24H,11H2,1H3,(H,26,28)(H,25,27,29)
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n/an/a>1.10E+4n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against tissue type plasminogen activator.


Bioorg Med Chem Lett 14: 989-93 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.080
BindingDB Entry DOI: 10.7270/Q2X34WXD
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (Human))
BDBM50142144
PNG
(5-Chloro-N-(5-chloro-pyridin-2-yl)-2-{4-[4-(1-imin...)
Show SMILES CC(=N)N1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)CC1
Show InChI InChI=1S/C26H26Cl2N6O2/c1-17(29)34-12-10-33(11-13-34)16-18-2-4-19(5-3-18)25(35)31-23-8-6-20(27)14-22(23)26(36)32-24-9-7-21(28)15-30-24/h2-9,14-15,29H,10-13,16H2,1H3,(H,31,35)(H,30,32,36)
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n/an/a>1.10E+4n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against trypsin.


Bioorg Med Chem Lett 14: 989-93 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.080
BindingDB Entry DOI: 10.7270/Q2X34WXD
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50142144
PNG
(5-Chloro-N-(5-chloro-pyridin-2-yl)-2-{4-[4-(1-imin...)
Show SMILES CC(=N)N1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)CC1
Show InChI InChI=1S/C26H26Cl2N6O2/c1-17(29)34-12-10-33(11-13-34)16-18-2-4-19(5-3-18)25(35)31-23-8-6-20(27)14-22(23)26(36)32-24-9-7-21(28)15-30-24/h2-9,14-15,29H,10-13,16H2,1H3,(H,31,35)(H,30,32,36)
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n/an/a 5n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against coagulation factor X.


Bioorg Med Chem Lett 14: 989-93 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.080
BindingDB Entry DOI: 10.7270/Q2X34WXD
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50142149
PNG
(5-Chloro-N-(5-chloro-pyridin-2-yl)-2-(4-hydrazinom...)
Show SMILES NNCc1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1
Show InChI InChI=1S/C20H17Cl2N5O2/c21-14-5-7-17(26-19(28)13-3-1-12(2-4-13)10-25-23)16(9-14)20(29)27-18-8-6-15(22)11-24-18/h1-9,11,25H,10,23H2,(H,26,28)(H,24,27,29)
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n/an/a 40n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against coagulation factor X.


Bioorg Med Chem Lett 14: 989-93 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.080
BindingDB Entry DOI: 10.7270/Q2X34WXD
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50142159
PNG
(5-Chloro-N-(5-chloro-pyridin-2-yl)-2-(4-piperazin-...)
Show SMILES Clc1ccc(NC(=O)c2cc(Cl)ccc2NC(=O)c2ccc(CN3CCNCC3)cc2)nc1
Show InChI InChI=1S/C24H23Cl2N5O2/c25-18-5-7-21(20(13-18)24(33)30-22-8-6-19(26)14-28-22)29-23(32)17-3-1-16(2-4-17)15-31-11-9-27-10-12-31/h1-8,13-14,27H,9-12,15H2,(H,29,32)(H,28,30,33)
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n/an/a 17n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against coagulation factor X.


Bioorg Med Chem Lett 14: 989-93 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.080
BindingDB Entry DOI: 10.7270/Q2X34WXD
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50142153
PNG
(5-Chloro-N-(5-chloro-pyridin-2-yl)-2-(4-methylamin...)
Show SMILES CNCc1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1
Show InChI InChI=1S/C21H18Cl2N4O2/c1-24-11-13-2-4-14(5-3-13)20(28)26-18-8-6-15(22)10-17(18)21(29)27-19-9-7-16(23)12-25-19/h2-10,12,24H,11H2,1H3,(H,26,28)(H,25,27,29)
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n/an/a>1.10E+4n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against thrombin.


Bioorg Med Chem Lett 14: 989-93 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.080
BindingDB Entry DOI: 10.7270/Q2X34WXD
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50142151
PNG
(5-Chloro-N-(5-chloro-pyridin-2-yl)-2-(4-{[(2-hydro...)
Show SMILES CN(CCO)Cc1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1
Show InChI InChI=1S/C23H22Cl2N4O3/c1-29(10-11-30)14-15-2-4-16(5-3-15)22(31)27-20-8-6-17(24)12-19(20)23(32)28-21-9-7-18(25)13-26-21/h2-9,12-13,30H,10-11,14H2,1H3,(H,27,31)(H,26,28,32)
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n/an/a>1.10E+4n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against plasmin.


Bioorg Med Chem Lett 14: 989-93 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.080
BindingDB Entry DOI: 10.7270/Q2X34WXD
More data for this
Ligand-Target Pair
Vitamin K-dependent protein C


(Homo sapiens (Human))
BDBM50142149
PNG
(5-Chloro-N-(5-chloro-pyridin-2-yl)-2-(4-hydrazinom...)
Show SMILES NNCc1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1
Show InChI InChI=1S/C20H17Cl2N5O2/c21-14-5-7-17(26-19(28)13-3-1-12(2-4-13)10-25-23)16(9-14)20(29)27-18-8-6-15(22)11-24-18/h1-9,11,25H,10,23H2,(H,26,28)(H,24,27,29)
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n/an/a>1.10E+4n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against activated protein C


Bioorg Med Chem Lett 14: 989-93 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.080
BindingDB Entry DOI: 10.7270/Q2X34WXD
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50142153
PNG
(5-Chloro-N-(5-chloro-pyridin-2-yl)-2-(4-methylamin...)
Show SMILES CNCc1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1
Show InChI InChI=1S/C21H18Cl2N4O2/c1-24-11-13-2-4-14(5-3-13)20(28)26-18-8-6-15(22)10-17(18)21(29)27-19-9-7-16(23)12-25-19/h2-10,12,24H,11H2,1H3,(H,26,28)(H,25,27,29)
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n/an/a>1.10E+4n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against plasmin.


Bioorg Med Chem Lett 14: 989-93 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.080
BindingDB Entry DOI: 10.7270/Q2X34WXD
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50142150
PNG
(1-{4-[4-Chloro-2-(5-chloro-pyridin-2-ylcarbamoyl)-...)
Show SMILES C[N+]1(Cc2ccc(cc2)C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)CCCC1
Show InChI InChI=1S/C25H24Cl2N4O2/c1-31(12-2-3-13-31)16-17-4-6-18(7-5-17)24(32)29-22-10-8-19(26)14-21(22)25(33)30-23-11-9-20(27)15-28-23/h4-11,14-15H,2-3,12-13,16H2,1H3,(H-,28,29,30,32,33)/p+1
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n/an/a 2.30n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against coagulation factor X.


Bioorg Med Chem Lett 14: 989-93 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.080
BindingDB Entry DOI: 10.7270/Q2X34WXD
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (Human))
BDBM50142159
PNG
(5-Chloro-N-(5-chloro-pyridin-2-yl)-2-(4-piperazin-...)
Show SMILES Clc1ccc(NC(=O)c2cc(Cl)ccc2NC(=O)c2ccc(CN3CCNCC3)cc2)nc1
Show InChI InChI=1S/C24H23Cl2N5O2/c25-18-5-7-21(20(13-18)24(33)30-22-8-6-19(26)14-28-22)29-23(32)17-3-1-16(2-4-17)15-31-11-9-27-10-12-31/h1-8,13-14,27H,9-12,15H2,(H,29,32)(H,28,30,33)
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n/an/a>1.10E+4n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against trypsin.


Bioorg Med Chem Lett 14: 989-93 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.080
BindingDB Entry DOI: 10.7270/Q2X34WXD
More data for this
Ligand-Target Pair
Vitamin K-dependent protein C


(Homo sapiens (Human))
BDBM50142156
PNG
(5-Chloro-N-(5-chloro-pyridin-2-yl)-2-(4-{[(2-dimet...)
Show SMILES CN(C)CCN(C)Cc1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1
Show InChI InChI=1S/C25H27Cl2N5O2/c1-31(2)12-13-32(3)16-17-4-6-18(7-5-17)24(33)29-22-10-8-19(26)14-21(22)25(34)30-23-11-9-20(27)15-28-23/h4-11,14-15H,12-13,16H2,1-3H3,(H,29,33)(H,28,30,34)
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n/an/a>1.10E+4n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against activated protein C


Bioorg Med Chem Lett 14: 989-93 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.080
BindingDB Entry DOI: 10.7270/Q2X34WXD
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (Human))
BDBM50142153
PNG
(5-Chloro-N-(5-chloro-pyridin-2-yl)-2-(4-methylamin...)
Show SMILES CNCc1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1
Show InChI InChI=1S/C21H18Cl2N4O2/c1-24-11-13-2-4-14(5-3-13)20(28)26-18-8-6-15(22)10-17(18)21(29)27-19-9-7-16(23)12-25-19/h2-10,12,24H,11H2,1H3,(H,26,28)(H,25,27,29)
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n/an/a>1.10E+4n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against trypsin.


Bioorg Med Chem Lett 14: 989-93 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.080
BindingDB Entry DOI: 10.7270/Q2X34WXD
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50142151
PNG
(5-Chloro-N-(5-chloro-pyridin-2-yl)-2-(4-{[(2-hydro...)
Show SMILES CN(CCO)Cc1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1
Show InChI InChI=1S/C23H22Cl2N4O3/c1-29(10-11-30)14-15-2-4-16(5-3-15)22(31)27-20-8-6-17(24)12-19(20)23(32)28-21-9-7-18(25)13-26-21/h2-9,12-13,30H,10-11,14H2,1H3,(H,27,31)(H,26,28,32)
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n/an/a>1.10E+4n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against thrombin.


Bioorg Med Chem Lett 14: 989-93 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.080
BindingDB Entry DOI: 10.7270/Q2X34WXD
More data for this
Ligand-Target Pair
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