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PubMed code 15125936

Compile data set for download or QSAR
Found 61 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM13662
PNG
(3-Oxybenzamide 48 | 4-chloro-3-[2-(2,4-dichlorophe...)
Show SMILES COc1cc(cc(OCCc2ccc(Cl)cc2Cl)c1Cl)C(=O)NCC1CCN(CC1)c1ccncc1
Show InChI InChI=1S/C27H28Cl3N3O3/c1-35-24-14-20(15-25(26(24)30)36-13-8-19-2-3-21(28)16-23(19)29)27(34)32-17-18-6-11-33(12-7-18)22-4-9-31-10-5-22/h2-5,9-10,14-16,18H,6-8,11-13,17H2,1H3,(H,32,34)
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PubMed
10n/an/an/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibitory activity against human Coagulation factor X


Bioorg Med Chem Lett 14: 2801-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.059
BindingDB Entry DOI: 10.7270/Q2XS5WW7
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM13663
PNG
(3-Oxybenzamide 49 | 3-[2-(2,4-dichlorophenyl)ethox...)
Show SMILES COc1cc(cc(OCCc2ccc(Cl)cc2Cl)c1C)C(=O)NCC1CCN(CC1)c1ccncc1
Show InChI InChI=1S/C28H31Cl2N3O3/c1-19-26(35-2)15-22(16-27(19)36-14-9-21-3-4-23(29)17-25(21)30)28(34)32-18-20-7-12-33(13-8-20)24-5-10-31-11-6-24/h3-6,10-11,15-17,20H,7-9,12-14,18H2,1-2H3,(H,32,34)
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13n/an/an/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibitory activity against human Coagulation factor X


Bioorg Med Chem Lett 14: 2801-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.059
BindingDB Entry DOI: 10.7270/Q2XS5WW7
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM13668
PNG
(3-Oxybenzamide 54 | 4-chloro-3-[2-(4-chlorophenyl)...)
Show SMILES Clc1ccc(CCOc2cc(ccc2Cl)C(=O)NCC2CCN(CC2)c2ccncc2)cc1
Show InChI InChI=1S/C26H27Cl2N3O2/c27-22-4-1-19(2-5-22)11-16-33-25-17-21(3-6-24(25)28)26(32)30-18-20-9-14-31(15-10-20)23-7-12-29-13-8-23/h1-8,12-13,17,20H,9-11,14-16,18H2,(H,30,32)
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13n/an/an/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibitory activity against human Coagulation factor X


Bioorg Med Chem Lett 14: 2801-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.059
BindingDB Entry DOI: 10.7270/Q2XS5WW7
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM13664
PNG
(3-Oxybenzamide 50 | 3-[2-(2,4-dichlorophenyl)ethox...)
Show SMILES COc1ccc(cc1OCCc1ccc(Cl)cc1Cl)C(=O)NCC1CCN(CC1)c1ccncc1
Show InChI InChI=1S/C27H29Cl2N3O3/c1-34-25-5-3-21(16-26(25)35-15-10-20-2-4-22(28)17-24(20)29)27(33)31-18-19-8-13-32(14-9-19)23-6-11-30-12-7-23/h2-7,11-12,16-17,19H,8-10,13-15,18H2,1H3,(H,31,33)
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18n/an/an/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibitory activity against human Coagulation factor X


Bioorg Med Chem Lett 14: 2801-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.059
BindingDB Entry DOI: 10.7270/Q2XS5WW7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM13659
PNG
(3-Oxybenzamide 45 | 4-bromo-3-[2-(2,4-dichlorophen...)
Show SMILES COc1cc(cc(OCCc2ccc(Cl)cc2Cl)c1Br)C(=O)NCC1CCN(CC1)c1ccncc1
Show InChI InChI=1S/C27H28BrCl2N3O3/c1-35-24-14-20(15-25(26(24)28)36-13-8-19-2-3-21(29)16-23(19)30)27(34)32-17-18-6-11-33(12-7-18)22-4-9-31-10-5-22/h2-5,9-10,14-16,18H,6-8,11-13,17H2,1H3,(H,32,34)
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20n/an/an/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibitory activity against human Coagulation factor X


Bioorg Med Chem Lett 14: 2801-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.059
BindingDB Entry DOI: 10.7270/Q2XS5WW7
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM13615
PNG
(3-Oxybenzamide 1 | 4-chloro-3-[2-(5-chloropyridin-...)
Show SMILES Clc1ccc(CCOc2cc(ccc2Cl)C(=O)NCC2CCN(CC2)c2ccncc2)nc1
Show InChI InChI=1S/C25H26Cl2N4O2/c26-20-2-3-21(29-17-20)9-14-33-24-15-19(1-4-23(24)27)25(32)30-16-18-7-12-31(13-8-18)22-5-10-28-11-6-22/h1-6,10-11,15,17-18H,7-9,12-14,16H2,(H,30,32)
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20n/an/an/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibitory activity against human Coagulation factor X


Bioorg Med Chem Lett 14: 2801-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.059
BindingDB Entry DOI: 10.7270/Q2XS5WW7
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM13652
PNG
(3-Oxybenzamide 38 | 3-[2-(2,4-dichlorophenyl)ethox...)
Show SMILES CSc1ccc(cc1OCCc1ccc(Cl)cc1Cl)C(=O)NCC1CCN(CC1)c1ccncc1
Show InChI InChI=1S/C27H29Cl2N3O2S/c1-35-26-5-3-21(16-25(26)34-15-10-20-2-4-22(28)17-24(20)29)27(33)31-18-19-8-13-32(14-9-19)23-6-11-30-12-7-23/h2-7,11-12,16-17,19H,8-10,13-15,18H2,1H3,(H,31,33)
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28n/an/an/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibitory activity against human Coagulation factor X


Bioorg Med Chem Lett 14: 2801-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.059
BindingDB Entry DOI: 10.7270/Q2XS5WW7
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM13645
PNG
(3-Oxybenzamide 31 | 4-amino-3-[2-(2,4-dichlorophen...)
Show SMILES Nc1ccc(cc1OCCc1ccc(Cl)cc1Cl)C(=O)NCC1CCN(CC1)c1ccncc1
Show InChI InChI=1S/C26H28Cl2N4O2/c27-21-3-1-19(23(28)16-21)9-14-34-25-15-20(2-4-24(25)29)26(33)31-17-18-7-12-32(13-8-18)22-5-10-30-11-6-22/h1-6,10-11,15-16,18H,7-9,12-14,17,29H2,(H,31,33)
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29n/an/an/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibitory activity against human Coagulation factor X


Bioorg Med Chem Lett 14: 2801-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.059
BindingDB Entry DOI: 10.7270/Q2XS5WW7
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM13619
PNG
(3-Oxybenzamide 5 | 3-[2-(4-bromophenyl)ethoxy]-4-c...)
Show SMILES Clc1ccc(cc1OCCc1ccc(Br)cc1)C(=O)NCC1CCN(CC1)c1ccncc1
Show InChI InChI=1S/C26H27BrClN3O2/c27-22-4-1-19(2-5-22)11-16-33-25-17-21(3-6-24(25)28)26(32)30-18-20-9-14-31(15-10-20)23-7-12-29-13-8-23/h1-8,12-13,17,20H,9-11,14-16,18H2,(H,30,32)
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36n/an/an/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibitory activity against human Coagulation factor X


Bioorg Med Chem Lett 14: 2801-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.059
BindingDB Entry DOI: 10.7270/Q2XS5WW7
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM13642
PNG
(3-Oxybenzamide 28 | 3-[2-(2,4-dichlorophenyl)ethox...)
Show SMILES Cc1ccc(cc1OCCc1ccc(Cl)cc1Cl)C(=O)NCC1CCN(CC1)c1ccncc1
Show InChI InChI=1S/C27H29Cl2N3O2/c1-19-2-3-22(16-26(19)34-15-10-21-4-5-23(28)17-25(21)29)27(33)31-18-20-8-13-32(14-9-20)24-6-11-30-12-7-24/h2-7,11-12,16-17,20H,8-10,13-15,18H2,1H3,(H,31,33)
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37n/an/an/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibitory activity against human Coagulation factor X


Bioorg Med Chem Lett 14: 2801-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.059
BindingDB Entry DOI: 10.7270/Q2XS5WW7
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM13618
PNG
(3-Oxybenzamide 4 | 3-[2-(5-chloropyridin-2-yl)etho...)
Show SMILES Fc1ccc(cc1OCCc1ccc(Cl)cn1)C(=O)NCC1CCN(CC1)c1ccncc1
Show InChI InChI=1S/C25H26ClFN4O2/c26-20-2-3-21(29-17-20)9-14-33-24-15-19(1-4-23(24)27)25(32)30-16-18-7-12-31(13-8-18)22-5-10-28-11-6-22/h1-6,10-11,15,17-18H,7-9,12-14,16H2,(H,30,32)
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37n/an/an/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibitory activity against human Coagulation factor X


Bioorg Med Chem Lett 14: 2801-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.059
BindingDB Entry DOI: 10.7270/Q2XS5WW7
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM13658
PNG
(3-Oxybenzamide 44 | 7-[2-(2,4-dichlorophenyl)ethox...)
Show SMILES Clc1ccc(CCOc2cc(cc3OCOc23)C(=O)NCC2CCN(CC2)c2ccncc2)c(Cl)c1
Show InChI InChI=1S/C27H27Cl2N3O4/c28-21-2-1-19(23(29)15-21)7-12-34-24-13-20(14-25-26(24)36-17-35-25)27(33)31-16-18-5-10-32(11-6-18)22-3-8-30-9-4-22/h1-4,8-9,13-15,18H,5-7,10-12,16-17H2,(H,31,33)
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39n/an/an/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibitory activity against human Coagulation factor X


Bioorg Med Chem Lett 14: 2801-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.059
BindingDB Entry DOI: 10.7270/Q2XS5WW7
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM13617
PNG
(3-Oxybenzamide 3 | 3-[2-(4-chlorophenyl)ethoxy]-4-...)
Show SMILES Fc1ccc(cc1OCCc1ccc(Cl)cc1)C(=O)NCC1CCN(CC1)c1ccncc1
Show InChI InChI=1S/C26H27ClFN3O2/c27-22-4-1-19(2-5-22)11-16-33-25-17-21(3-6-24(25)28)26(32)30-18-20-9-14-31(15-10-20)23-7-12-29-13-8-23/h1-8,12-13,17,20H,9-11,14-16,18H2,(H,30,32)
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40n/an/an/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibitory activity against human Coagulation factor X


Bioorg Med Chem Lett 14: 2801-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.059
BindingDB Entry DOI: 10.7270/Q2XS5WW7
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM13667
PNG
(3-Oxybenzamide 53 | 4-chloro-3-[2-(2,4-dichlorophe...)
Show SMILES Clc1ccc(CCOc2cc(ccc2Cl)C(=O)NCC2CCN(CC2)c2ccncc2)c(Cl)c1
Show InChI InChI=1S/C26H26Cl3N3O2/c27-21-3-1-19(24(29)16-21)9-14-34-25-15-20(2-4-23(25)28)26(33)31-17-18-7-12-32(13-8-18)22-5-10-30-11-6-22/h1-6,10-11,15-16,18H,7-9,12-14,17H2,(H,31,33)
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41n/an/an/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibitory activity against human Coagulation factor X


Bioorg Med Chem Lett 14: 2801-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.059
BindingDB Entry DOI: 10.7270/Q2XS5WW7
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM13665
PNG
(3-Oxybenzamide 51 | 3-[2-(4-chlorophenyl)ethoxy]-4...)
Show SMILES COc1ccc(cc1OCCc1ccc(Cl)cc1)C(=O)NCC1CCN(CC1)c1ccncc1
Show InChI InChI=1S/C27H30ClN3O3/c1-33-25-7-4-22(18-26(25)34-17-12-20-2-5-23(28)6-3-20)27(32)30-19-21-10-15-31(16-11-21)24-8-13-29-14-9-24/h2-9,13-14,18,21H,10-12,15-17,19H2,1H3,(H,30,32)
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41n/an/an/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibitory activity against human Coagulation factor X


Bioorg Med Chem Lett 14: 2801-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.059
BindingDB Entry DOI: 10.7270/Q2XS5WW7
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM13644
PNG
(3-Oxybenzamide 30 | 4-cyano-3-[2-(2,4-dichlorophen...)
Show SMILES Clc1ccc(CCOc2cc(ccc2C#N)C(=O)NCC2CCN(CC2)c2ccncc2)c(Cl)c1
Show InChI InChI=1S/C27H26Cl2N4O2/c28-23-4-3-20(25(29)16-23)9-14-35-26-15-21(1-2-22(26)17-30)27(34)32-18-19-7-12-33(13-8-19)24-5-10-31-11-6-24/h1-6,10-11,15-16,19H,7-9,12-14,18H2,(H,32,34)
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44n/an/an/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibitory activity against human Coagulation factor X


Bioorg Med Chem Lett 14: 2801-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.059
BindingDB Entry DOI: 10.7270/Q2XS5WW7
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM13646
PNG
(3-Oxybenzamide 32 | 3-[2-(2,4-dichlorophenyl)ethox...)
Show SMILES CNc1ccc(cc1OCCc1ccc(Cl)cc1Cl)C(=O)NCC1CCN(CC1)c1ccncc1
Show InChI InChI=1S/C27H30Cl2N4O2/c1-30-25-5-3-21(16-26(25)35-15-10-20-2-4-22(28)17-24(20)29)27(34)32-18-19-8-13-33(14-9-19)23-6-11-31-12-7-23/h2-7,11-12,16-17,19,30H,8-10,13-15,18H2,1H3,(H,32,34)
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48n/an/an/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibitory activity against human Coagulation factor X


Bioorg Med Chem Lett 14: 2801-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.059
BindingDB Entry DOI: 10.7270/Q2XS5WW7
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM13656
PNG
(3-Oxybenzamide 42 | 3-[2-(2,4-dichlorophenyl)ethox...)
Show SMILES COc1cc(cc(OCCc2ccc(Cl)cc2Cl)c1OC)C(=O)NCC1CCN(CC1)c1ccncc1
Show InChI InChI=1S/C28H31Cl2N3O4/c1-35-25-15-21(16-26(27(25)36-2)37-14-9-20-3-4-22(29)17-24(20)30)28(34)32-18-19-7-12-33(13-8-19)23-5-10-31-11-6-23/h3-6,10-11,15-17,19H,7-9,12-14,18H2,1-2H3,(H,32,34)
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50n/an/an/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibitory activity against human Coagulation factor X


Bioorg Med Chem Lett 14: 2801-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.059
BindingDB Entry DOI: 10.7270/Q2XS5WW7
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM13616
PNG
(3-Oxybenzamide 2 | 3-[2-(2,4-dichlorophenyl)ethoxy...)
Show SMILES Fc1ccc(cc1OCCc1ccc(Cl)cc1Cl)C(=O)NCC1CCN(CC1)c1ccncc1
Show InChI InChI=1S/C26H26Cl2FN3O2/c27-21-3-1-19(23(28)16-21)9-14-34-25-15-20(2-4-24(25)29)26(33)31-17-18-7-12-32(13-8-18)22-5-10-30-11-6-22/h1-6,10-11,15-16,18H,7-9,12-14,17H2,(H,31,33)
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50n/an/an/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibitory activity against human Coagulation factor X


Bioorg Med Chem Lett 14: 2801-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.059
BindingDB Entry DOI: 10.7270/Q2XS5WW7
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM13651
PNG
(3-Oxybenzamide 37 | 5-[2-(2,4-dichlorophenyl)ethox...)
Show SMILES NC(=O)c1cc(OCCc2ccc(Cl)cc2Cl)cc(c1)C(=O)NCC1CCN(CC1)c1ccncc1
Show InChI InChI=1S/C27H28Cl2N4O3/c28-22-2-1-19(25(29)16-22)7-12-36-24-14-20(26(30)34)13-21(15-24)27(35)32-17-18-5-10-33(11-6-18)23-3-8-31-9-4-23/h1-4,8-9,13-16,18H,5-7,10-12,17H2,(H2,30,34)(H,32,35)
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51n/an/an/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibitory activity against human Coagulation factor X


Bioorg Med Chem Lett 14: 2801-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.059
BindingDB Entry DOI: 10.7270/Q2XS5WW7
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM13666
PNG
(3-Oxybenzamide 52 | 3-[2-(5-chloropyridin-2-yl)eth...)
Show SMILES COc1ccc(cc1OCCc1ccc(Cl)cn1)C(=O)NCC1CCN(CC1)c1ccncc1
Show InChI InChI=1S/C26H29ClN4O3/c1-33-24-5-2-20(16-25(24)34-15-10-22-4-3-21(27)18-29-22)26(32)30-17-19-8-13-31(14-9-19)23-6-11-28-12-7-23/h2-7,11-12,16,18-19H,8-10,13-15,17H2,1H3,(H,30,32)
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54n/an/an/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibitory activity against human Coagulation factor X


Bioorg Med Chem Lett 14: 2801-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.059
BindingDB Entry DOI: 10.7270/Q2XS5WW7
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM13673
PNG
(3-Oxybenzamide 59 | 3-[2-(2,4-dichlorophenyl)ethox...)
Show SMILES COc1ccc(cc1OCCc1ccc(Cl)cc1Cl)C(=O)NCC1CCN(CC1)c1ccnc(C)c1
Show InChI InChI=1S/C28H31Cl2N3O3/c1-19-15-24(7-11-31-19)33-12-8-20(9-13-33)18-32-28(34)22-4-6-26(35-2)27(16-22)36-14-10-21-3-5-23(29)17-25(21)30/h3-7,11,15-17,20H,8-10,12-14,18H2,1-2H3,(H,32,34)
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57n/an/an/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibitory activity against human Coagulation factor X


Bioorg Med Chem Lett 14: 2801-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.059
BindingDB Entry DOI: 10.7270/Q2XS5WW7
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM13653
PNG
(3-Oxybenzamide 39 | 3-[2-(2,4-dichlorophenyl)ethox...)
Show SMILES CCOc1ccc(cc1OCCc1ccc(Cl)cc1Cl)C(=O)NCC1CCN(CC1)c1ccncc1
Show InChI InChI=1S/C28H31Cl2N3O3/c1-2-35-26-6-4-22(17-27(26)36-16-11-21-3-5-23(29)18-25(21)30)28(34)32-19-20-9-14-33(15-10-20)24-7-12-31-13-8-24/h3-8,12-13,17-18,20H,2,9-11,14-16,19H2,1H3,(H,32,34)
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61n/an/an/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibitory activity against human Coagulation factor X


Bioorg Med Chem Lett 14: 2801-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.059
BindingDB Entry DOI: 10.7270/Q2XS5WW7
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM13629
PNG
(3-Oxybenzamide 15 | 3-[2-(4-bromophenyl)ethoxy]-4-...)
Show SMILES Fc1ccc(cc1OCCc1ccc(Br)cc1)C(=O)NCC1CCN(CC1)c1ccncc1
Show InChI InChI=1S/C26H27BrFN3O2/c27-22-4-1-19(2-5-22)11-16-33-25-17-21(3-6-24(25)28)26(32)30-18-20-9-14-31(15-10-20)23-7-12-29-13-8-23/h1-8,12-13,17,20H,9-11,14-16,18H2,(H,30,32)
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71n/an/an/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibitory activity against human Coagulation factor X


Bioorg Med Chem Lett 14: 2801-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.059
BindingDB Entry DOI: 10.7270/Q2XS5WW7
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM13647
PNG
(3-Oxybenzamide 33 | 3-[2-(2,4-dichlorophenyl)ethox...)
Show SMILES Clc1ccc(CCOc2cc(ccc2NC=O)C(=O)NCC2CCN(CC2)c2ccncc2)c(Cl)c1
Show InChI InChI=1S/C27H28Cl2N4O3/c28-22-3-1-20(24(29)16-22)9-14-36-26-15-21(2-4-25(26)32-18-34)27(35)31-17-19-7-12-33(13-8-19)23-5-10-30-11-6-23/h1-6,10-11,15-16,18-19H,7-9,12-14,17H2,(H,31,35)(H,32,34)
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75n/an/an/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibitory activity against human Coagulation factor X


Bioorg Med Chem Lett 14: 2801-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.059
BindingDB Entry DOI: 10.7270/Q2XS5WW7
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM13640
PNG
(3-Oxybenzamide 26 | 4-bromo-3-[2-(2,4-dichlorophen...)
Show SMILES Clc1ccc(CCOc2cc(ccc2Br)C(=O)NCC2CCN(CC2)c2ccncc2)c(Cl)c1
Show InChI InChI=1S/C26H26BrCl2N3O2/c27-23-4-2-20(15-25(23)34-14-9-19-1-3-21(28)16-24(19)29)26(33)31-17-18-7-12-32(13-8-18)22-5-10-30-11-6-22/h1-6,10-11,15-16,18H,7-9,12-14,17H2,(H,31,33)
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76n/an/an/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibitory activity against human Coagulation factor X


Bioorg Med Chem Lett 14: 2801-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.059
BindingDB Entry DOI: 10.7270/Q2XS5WW7
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM13660
PNG
(3-Oxybenzamide 46 | 4-bromo-3-[2-(2,4-dichlorophen...)
Show SMILES CCOc1cc(cc(OCCc2ccc(Cl)cc2Cl)c1Br)C(=O)NCC1CCN(CC1)c1ccncc1
Show InChI InChI=1S/C28H30BrCl2N3O3/c1-2-36-25-15-21(16-26(27(25)29)37-14-9-20-3-4-22(30)17-24(20)31)28(35)33-18-19-7-12-34(13-8-19)23-5-10-32-11-6-23/h3-6,10-11,15-17,19H,2,7-9,12-14,18H2,1H3,(H,33,35)
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86n/an/an/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibitory activity against human Coagulation factor X


Bioorg Med Chem Lett 14: 2801-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.059
BindingDB Entry DOI: 10.7270/Q2XS5WW7
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM13620
PNG
(3-Oxybenzamide 6 | 4-chloro-3-[2-(4-fluorophenyl)e...)
Show SMILES Fc1ccc(CCOc2cc(ccc2Cl)C(=O)NCC2CCN(CC2)c2ccncc2)cc1
Show InChI InChI=1S/C26H27ClFN3O2/c27-24-6-3-21(17-25(24)33-16-11-19-1-4-22(28)5-2-19)26(32)30-18-20-9-14-31(15-10-20)23-7-12-29-13-8-23/h1-8,12-13,17,20H,9-11,14-16,18H2,(H,30,32)
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102n/an/an/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibitory activity against human Coagulation factor X


Bioorg Med Chem Lett 14: 2801-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.059
BindingDB Entry DOI: 10.7270/Q2XS5WW7
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM13639
PNG
(3-Oxybenzamide 25 | 3-[2-(2,4-dichlorophenyl)ethox...)
Show SMILES Clc1ccc(CCOc2cccc(c2)C(=O)NCC2CCN(CC2)c2ccncc2)c(Cl)c1
Show InChI InChI=1S/C26H27Cl2N3O2/c27-22-5-4-20(25(28)17-22)10-15-33-24-3-1-2-21(16-24)26(32)30-18-19-8-13-31(14-9-19)23-6-11-29-12-7-23/h1-7,11-12,16-17,19H,8-10,13-15,18H2,(H,30,32)
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106n/an/an/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibitory activity against human Coagulation factor X


Bioorg Med Chem Lett 14: 2801-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.059
BindingDB Entry DOI: 10.7270/Q2XS5WW7
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM13674
PNG
(3-Oxybenzamide 60 | 3-[2-(2,4-dichlorophenyl)ethox...)
Show SMILES COc1ccc(cc1OCCc1ccc(Cl)cc1Cl)C(=O)NCC1CCN(CC1)c1ccncn1
Show InChI InChI=1S/C26H28Cl2N4O3/c1-34-23-5-3-20(14-24(23)35-13-9-19-2-4-21(27)15-22(19)28)26(33)30-16-18-7-11-32(12-8-18)25-6-10-29-17-31-25/h2-6,10,14-15,17-18H,7-9,11-13,16H2,1H3,(H,30,33)
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110n/an/an/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibitory activity against human Coagulation factor X


Bioorg Med Chem Lett 14: 2801-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.059
BindingDB Entry DOI: 10.7270/Q2XS5WW7
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM13621
PNG
(3-Oxybenzamide 7 | 4-chloro-3-[2-(4-methylphenyl)e...)
Show SMILES Cc1ccc(CCOc2cc(ccc2Cl)C(=O)NCC2CCN(CC2)c2ccncc2)cc1
Show InChI InChI=1S/C27H30ClN3O2/c1-20-2-4-21(5-3-20)12-17-33-26-18-23(6-7-25(26)28)27(32)30-19-22-10-15-31(16-11-22)24-8-13-29-14-9-24/h2-9,13-14,18,22H,10-12,15-17,19H2,1H3,(H,30,32)
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124n/an/an/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibitory activity against human Coagulation factor X


Bioorg Med Chem Lett 14: 2801-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.059
BindingDB Entry DOI: 10.7270/Q2XS5WW7
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM13655
PNG
(3-Oxybenzamide 41 | 3-[2-(2,4-dichlorophenyl)ethox...)
Show SMILES COc1cc(OCCc2ccc(Cl)cc2Cl)cc(c1)C(=O)NCC1CCN(CC1)c1ccncc1
Show InChI InChI=1S/C27H29Cl2N3O3/c1-34-24-14-21(15-25(17-24)35-13-8-20-2-3-22(28)16-26(20)29)27(33)31-18-19-6-11-32(12-7-19)23-4-9-30-10-5-23/h2-5,9-10,14-17,19H,6-8,11-13,18H2,1H3,(H,31,33)
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125n/an/an/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibitory activity against human Coagulation factor X


Bioorg Med Chem Lett 14: 2801-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.059
BindingDB Entry DOI: 10.7270/Q2XS5WW7
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM13643
PNG
(3-Oxybenzamide 29 | 3-[2-(2,4-dichlorophenyl)ethox...)
Show SMILES FC(F)(F)c1ccc(cc1OCCc1ccc(Cl)cc1Cl)C(=O)NCC1CCN(CC1)c1ccncc1
Show InChI InChI=1S/C27H26Cl2F3N3O2/c28-21-3-1-19(24(29)16-21)9-14-37-25-15-20(2-4-23(25)27(30,31)32)26(36)34-17-18-7-12-35(13-8-18)22-5-10-33-11-6-22/h1-6,10-11,15-16,18H,7-9,12-14,17H2,(H,34,36)
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140n/an/an/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibitory activity against human Coagulation factor X


Bioorg Med Chem Lett 14: 2801-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.059
BindingDB Entry DOI: 10.7270/Q2XS5WW7
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM13641
PNG
(3-Oxybenzamide 27 | 3-[2-(2,4-dichlorophenyl)ethox...)
Show SMILES Clc1ccc(CCOc2cc(ccc2I)C(=O)NCC2CCN(CC2)c2ccncc2)c(Cl)c1
Show InChI InChI=1S/C26H26Cl2IN3O2/c27-21-3-1-19(23(28)16-21)9-14-34-25-15-20(2-4-24(25)29)26(33)31-17-18-7-12-32(13-8-18)22-5-10-30-11-6-22/h1-6,10-11,15-16,18H,7-9,12-14,17H2,(H,31,33)
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156n/an/an/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibitory activity against human Coagulation factor X


Bioorg Med Chem Lett 14: 2801-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.059
BindingDB Entry DOI: 10.7270/Q2XS5WW7
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM13630
PNG
(3-Oxybenzamide 16 | 4-fluoro-3-[2-(4-fluorophenyl)...)
Show SMILES Fc1ccc(CCOc2cc(ccc2F)C(=O)NCC2CCN(CC2)c2ccncc2)cc1
Show InChI InChI=1S/C26H27F2N3O2/c27-22-4-1-19(2-5-22)11-16-33-25-17-21(3-6-24(25)28)26(32)30-18-20-9-14-31(15-10-20)23-7-12-29-13-8-23/h1-8,12-13,17,20H,9-11,14-16,18H2,(H,30,32)
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203n/an/an/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibitory activity against human Coagulation factor X


Bioorg Med Chem Lett 14: 2801-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.059
BindingDB Entry DOI: 10.7270/Q2XS5WW7
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM13631
PNG
(3-Oxybenzamide 17 | 4-fluoro-3-[2-(4-methylphenyl)...)
Show SMILES Cc1ccc(CCOc2cc(ccc2F)C(=O)NCC2CCN(CC2)c2ccncc2)cc1
Show InChI InChI=1S/C27H30FN3O2/c1-20-2-4-21(5-3-20)12-17-33-26-18-23(6-7-25(26)28)27(32)30-19-22-10-15-31(16-11-22)24-8-13-29-14-9-24/h2-9,13-14,18,22H,10-12,15-17,19H2,1H3,(H,30,32)
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206n/an/an/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibitory activity against human Coagulation factor X


Bioorg Med Chem Lett 14: 2801-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.059
BindingDB Entry DOI: 10.7270/Q2XS5WW7
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM13654
PNG
(3-Oxybenzamide 40 | 3-[2-(2,4-dichlorophenyl)ethox...)
Show SMILES CC(C)Oc1ccc(cc1OCCc1ccc(Cl)cc1Cl)C(=O)NCC1CCN(CC1)c1ccncc1
Show InChI InChI=1S/C29H33Cl2N3O3/c1-20(2)37-27-6-4-23(17-28(27)36-16-11-22-3-5-24(30)18-26(22)31)29(35)33-19-21-9-14-34(15-10-21)25-7-12-32-13-8-25/h3-8,12-13,17-18,20-21H,9-11,14-16,19H2,1-2H3,(H,33,35)
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233n/an/an/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibitory activity against human Coagulation factor X


Bioorg Med Chem Lett 14: 2801-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.059
BindingDB Entry DOI: 10.7270/Q2XS5WW7
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM13657
PNG
(3-Oxybenzamide 43 | 3-[2-(2,4-dichlorophenyl)ethox...)
Show SMILES CCOc1cc(cc(OCCc2ccc(Cl)cc2Cl)c1OCC)C(=O)NCC1CCN(CC1)c1ccncc1
Show InChI InChI=1S/C30H35Cl2N3O4/c1-3-37-27-17-23(30(36)34-20-21-9-14-35(15-10-21)25-7-12-33-13-8-25)18-28(29(27)38-4-2)39-16-11-22-5-6-24(31)19-26(22)32/h5-8,12-13,17-19,21H,3-4,9-11,14-16,20H2,1-2H3,(H,34,36)
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263n/an/an/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibitory activity against human Coagulation factor X


Bioorg Med Chem Lett 14: 2801-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.059
BindingDB Entry DOI: 10.7270/Q2XS5WW7
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM13675
PNG
(3-Oxybenzamide 61 | N-{[1-(2-chloropyrimidin-4-yl)...)
Show SMILES COc1ccc(cc1OCCc1ccc(Cl)cc1Cl)C(=O)NCC1CCN(CC1)c1ccnc(Cl)n1
Show InChI InChI=1S/C26H27Cl3N4O3/c1-35-22-5-3-19(14-23(22)36-13-9-18-2-4-20(27)15-21(18)28)25(34)31-16-17-7-11-33(12-8-17)24-6-10-30-26(29)32-24/h2-6,10,14-15,17H,7-9,11-13,16H2,1H3,(H,31,34)
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264n/an/an/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibitory activity against human Coagulation factor X


Bioorg Med Chem Lett 14: 2801-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.059
BindingDB Entry DOI: 10.7270/Q2XS5WW7
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM13632
PNG
(3-Oxybenzamide 18 | 4-fluoro-3-[2-(4-methoxyphenyl...)
Show SMILES COc1ccc(CCOc2cc(ccc2F)C(=O)NCC2CCN(CC2)c2ccncc2)cc1
Show InChI InChI=1S/C27H30FN3O3/c1-33-24-5-2-20(3-6-24)12-17-34-26-18-22(4-7-25(26)28)27(32)30-19-21-10-15-31(16-11-21)23-8-13-29-14-9-23/h2-9,13-14,18,21H,10-12,15-17,19H2,1H3,(H,30,32)
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307n/an/an/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibitory activity against human Coagulation factor X


Bioorg Med Chem Lett 14: 2801-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.059
BindingDB Entry DOI: 10.7270/Q2XS5WW7
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM13622
PNG
(3-Oxybenzamide 8 | 4-chloro-3-[2-(4-methoxyphenyl)...)
Show SMILES COc1ccc(CCOc2cc(ccc2Cl)C(=O)NCC2CCN(CC2)c2ccncc2)cc1
Show InChI InChI=1S/C27H30ClN3O3/c1-33-24-5-2-20(3-6-24)12-17-34-26-18-22(4-7-25(26)28)27(32)30-19-21-10-15-31(16-11-21)23-8-13-29-14-9-23/h2-9,13-14,18,21H,10-12,15-17,19H2,1H3,(H,30,32)
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314n/an/an/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibitory activity against human Coagulation factor X


Bioorg Med Chem Lett 14: 2801-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.059
BindingDB Entry DOI: 10.7270/Q2XS5WW7
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM13648
PNG
(3-Oxybenzamide 34 | 3-[2-(2,4-dichlorophenyl)ethox...)
Show SMILES CC(=O)Nc1ccc(cc1OCCc1ccc(Cl)cc1Cl)C(=O)NCC1CCN(CC1)c1ccncc1
Show InChI InChI=1S/C28H30Cl2N4O3/c1-19(35)33-26-5-3-22(16-27(26)37-15-10-21-2-4-23(29)17-25(21)30)28(36)32-18-20-8-13-34(14-9-20)24-6-11-31-12-7-24/h2-7,11-12,16-17,20H,8-10,13-15,18H2,1H3,(H,32,36)(H,33,35)
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316n/an/an/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibitory activity against human Coagulation factor X


Bioorg Med Chem Lett 14: 2801-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.059
BindingDB Entry DOI: 10.7270/Q2XS5WW7
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM13626
PNG
(3-Oxybenzamide 12 | 3-[2-(4-aminophenyl)ethoxy]-4-...)
Show SMILES Nc1ccc(CCOc2cc(ccc2Cl)C(=O)NCC2CCN(CC2)c2ccncc2)cc1
Show InChI InChI=1S/C26H29ClN4O2/c27-24-6-3-21(17-25(24)33-16-11-19-1-4-22(28)5-2-19)26(32)30-18-20-9-14-31(15-10-20)23-7-12-29-13-8-23/h1-8,12-13,17,20H,9-11,14-16,18,28H2,(H,30,32)
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420n/an/an/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibitory activity against human Coagulation factor X


Bioorg Med Chem Lett 14: 2801-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.059
BindingDB Entry DOI: 10.7270/Q2XS5WW7
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM13650
PNG
(3-Oxybenzamide 36 | 3-[2-(2,4-dichlorophenyl)ethox...)
Show SMILES NC(=O)c1ccc(cc1OCCc1ccc(Cl)cc1Cl)C(=O)NCC1CCN(CC1)c1ccncc1
Show InChI InChI=1S/C27H28Cl2N4O3/c28-21-3-1-19(24(29)16-21)9-14-36-25-15-20(2-4-23(25)26(30)34)27(35)32-17-18-7-12-33(13-8-18)22-5-10-31-11-6-22/h1-6,10-11,15-16,18H,7-9,12-14,17H2,(H2,30,34)(H,32,35)
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588n/an/an/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibitory activity against human Coagulation factor X


Bioorg Med Chem Lett 14: 2801-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.059
BindingDB Entry DOI: 10.7270/Q2XS5WW7
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM13676
PNG
(1-({3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxyphen...)
Show SMILES COc1ccc(cc1OCCc1ccc(Cl)cc1Cl)C(=O)N1CCN(Cc2ccncc2)CC1
Show InChI InChI=1S/C26H27Cl2N3O3/c1-33-24-5-3-21(16-25(24)34-15-8-20-2-4-22(27)17-23(20)28)26(32)31-13-11-30(12-14-31)18-19-6-9-29-10-7-19/h2-7,9-10,16-17H,8,11-15,18H2,1H3
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600n/an/an/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibitory activity against human Coagulation factor X


Bioorg Med Chem Lett 14: 2801-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.059
BindingDB Entry DOI: 10.7270/Q2XS5WW7
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM13677
PNG
(3-Oxybenzamide 63 | 3-[2-(2,4-dichlorophenyl)ethox...)
Show SMILES COc1ccc(cc1OCCc1ccc(Cl)cc1Cl)C(=O)NCC1CCN(CC1)C(C)C
Show InChI InChI=1S/C25H32Cl2N2O3/c1-17(2)29-11-8-18(9-12-29)16-28-25(30)20-5-7-23(31-3)24(14-20)32-13-10-19-4-6-21(26)15-22(19)27/h4-7,14-15,17-18H,8-13,16H2,1-3H3,(H,28,30)
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650n/an/an/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibitory activity against human Coagulation factor X


Bioorg Med Chem Lett 14: 2801-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.059
BindingDB Entry DOI: 10.7270/Q2XS5WW7
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM13634
PNG
(3-Oxybenzamide 20 | 3-[2-(3-chlorophenyl)ethoxy]-4...)
Show SMILES Fc1ccc(cc1OCCc1cccc(Cl)c1)C(=O)NCC1CCN(CC1)c1ccncc1
Show InChI InChI=1S/C26H27ClFN3O2/c27-22-3-1-2-19(16-22)10-15-33-25-17-21(4-5-24(25)28)26(32)30-18-20-8-13-31(14-9-20)23-6-11-29-12-7-23/h1-7,11-12,16-17,20H,8-10,13-15,18H2,(H,30,32)
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712n/an/an/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibitory activity against human Coagulation factor X


Bioorg Med Chem Lett 14: 2801-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.059
BindingDB Entry DOI: 10.7270/Q2XS5WW7
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50452118
PNG
(CHEMBL421560)
Show SMILES COc1ccc(cc1OCCc1ccc(Cl)cc1Cl)C(=O)NCC1CCN(Cc2ccnc(O)c2)CC1
Show InChI InChI=1S/C28H31Cl2N3O4/c1-36-25-5-3-22(15-26(25)37-13-9-21-2-4-23(29)16-24(21)30)28(35)32-17-19-7-11-33(12-8-19)18-20-6-10-31-27(34)14-20/h2-6,10,14-16,19H,7-9,11-13,17-18H2,1H3,(H,31,34)(H,32,35)
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950n/an/an/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibitory activity against human Coagulation factor X


Bioorg Med Chem Lett 14: 2801-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.059
BindingDB Entry DOI: 10.7270/Q2XS5WW7
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM13679
PNG
(3-Oxybenzamide 65 | 3-[2-(2,4-dichlorophenyl)ethox...)
Show SMILES COc1ccc(cc1OCCc1ccc(Cl)cc1Cl)C(=O)NCC1CCN(Cc2ccncc2)CC1
Show InChI InChI=1S/C28H31Cl2N3O3/c1-35-26-5-3-23(16-27(26)36-15-10-22-2-4-24(29)17-25(22)30)28(34)32-18-20-8-13-33(14-9-20)19-21-6-11-31-12-7-21/h2-7,11-12,16-17,20H,8-10,13-15,18-19H2,1H3,(H,32,34)
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970n/an/an/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibitory activity against human Coagulation factor X


Bioorg Med Chem Lett 14: 2801-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.059
BindingDB Entry DOI: 10.7270/Q2XS5WW7
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM13661
PNG
(3-Oxybenzamide 47 | 3-bromo-5-[2-(2,4-dichlorophen...)
Show SMILES COc1c(Br)cc(cc1OCCc1ccc(Cl)cc1Cl)C(=O)NCC1CCN(CC1)c1ccncc1
Show InChI InChI=1S/C27H28BrCl2N3O3/c1-35-26-23(28)14-20(15-25(26)36-13-8-19-2-3-21(29)16-24(19)30)27(34)32-17-18-6-11-33(12-7-18)22-4-9-31-10-5-22/h2-5,9-10,14-16,18H,6-8,11-13,17H2,1H3,(H,32,34)
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1.05E+3n/an/an/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibitory activity against human Coagulation factor X


Bioorg Med Chem Lett 14: 2801-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.059
BindingDB Entry DOI: 10.7270/Q2XS5WW7
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM13623
PNG
(3-Oxybenzamide 9 | 4-chloro-3-[2-(4-cyanophenyl)et...)
Show SMILES Clc1ccc(cc1OCCc1ccc(cc1)C#N)C(=O)NCC1CCN(CC1)c1ccncc1
Show InChI InChI=1S/C27H27ClN4O2/c28-25-6-5-23(17-26(25)34-16-11-20-1-3-21(18-29)4-2-20)27(33)31-19-22-9-14-32(15-10-22)24-7-12-30-13-8-24/h1-8,12-13,17,22H,9-11,14-16,19H2,(H,31,33)
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1.55E+3n/an/an/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibitory activity against human Coagulation factor X


Bioorg Med Chem Lett 14: 2801-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.059
BindingDB Entry DOI: 10.7270/Q2XS5WW7
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM13636
PNG
(3-Oxybenzamide 22 | 3-[2-(4-aminophenyl)ethoxy]-4-...)
Show SMILES Nc1ccc(CCOc2cc(ccc2F)C(=O)NCC2CCN(CC2)c2ccncc2)cc1
Show InChI InChI=1S/C26H29FN4O2/c27-24-6-3-21(17-25(24)33-16-11-19-1-4-22(28)5-2-19)26(32)30-18-20-9-14-31(15-10-20)23-7-12-29-13-8-23/h1-8,12-13,17,20H,9-11,14-16,18,28H2,(H,30,32)
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1.55E+3n/an/an/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibitory activity against human Coagulation factor X


Bioorg Med Chem Lett 14: 2801-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.059
BindingDB Entry DOI: 10.7270/Q2XS5WW7
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM13649
PNG
(3-Oxybenzamide 35 | 4-(carbamoylamino)-3-[2-(2,4-d...)
Show SMILES NC(=O)Nc1ccc(cc1OCCc1ccc(Cl)cc1Cl)C(=O)NCC1CCN(CC1)c1ccncc1
Show InChI InChI=1S/C27H29Cl2N5O3/c28-21-3-1-19(23(29)16-21)9-14-37-25-15-20(2-4-24(25)33-27(30)36)26(35)32-17-18-7-12-34(13-8-18)22-5-10-31-11-6-22/h1-6,10-11,15-16,18H,7-9,12-14,17H2,(H,32,35)(H3,30,33,36)
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1.76E+3n/an/an/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibitory activity against human Coagulation factor X


Bioorg Med Chem Lett 14: 2801-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.059
BindingDB Entry DOI: 10.7270/Q2XS5WW7
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM13624
PNG
(3-Oxybenzamide 10 | 4-chloro-3-[2-(3-chlorophenyl)...)
Show SMILES Clc1cccc(CCOc2cc(ccc2Cl)C(=O)NCC2CCN(CC2)c2ccncc2)c1
Show InChI InChI=1S/C26H27Cl2N3O2/c27-22-3-1-2-19(16-22)10-15-33-25-17-21(4-5-24(25)28)26(32)30-18-20-8-13-31(14-9-20)23-6-11-29-12-7-23/h1-7,11-12,16-17,20H,8-10,13-15,18H2,(H,30,32)
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1.93E+3n/an/an/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibitory activity against human Coagulation factor X


Bioorg Med Chem Lett 14: 2801-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.059
BindingDB Entry DOI: 10.7270/Q2XS5WW7
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM13625
PNG
(3-Oxybenzamide 11 | 4-chloro-3-[2-(3-methoxyphenyl...)
Show SMILES COc1cccc(CCOc2cc(ccc2Cl)C(=O)NCC2CCN(CC2)c2ccncc2)c1
Show InChI InChI=1S/C27H30ClN3O3/c1-33-24-4-2-3-20(17-24)11-16-34-26-18-22(5-6-25(26)28)27(32)30-19-21-9-14-31(15-10-21)23-7-12-29-13-8-23/h2-8,12-13,17-18,21H,9-11,14-16,19H2,1H3,(H,30,32)
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2.49E+3n/an/an/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibitory activity against human Coagulation factor X


Bioorg Med Chem Lett 14: 2801-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.059
BindingDB Entry DOI: 10.7270/Q2XS5WW7
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM13635
PNG
(3-Oxybenzamide 21 | 4-fluoro-3-[2-(3-methoxyphenyl...)
Show SMILES COc1cccc(CCOc2cc(ccc2F)C(=O)NCC2CCN(CC2)c2ccncc2)c1
Show InChI InChI=1S/C27H30FN3O3/c1-33-24-4-2-3-20(17-24)11-16-34-26-18-22(5-6-25(26)28)27(32)30-19-21-9-14-31(15-10-21)23-7-12-29-13-8-23/h2-8,12-13,17-18,21H,9-11,14-16,19H2,1H3,(H,30,32)
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3.35E+3n/an/an/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibitory activity against human Coagulation factor X


Bioorg Med Chem Lett 14: 2801-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.059
BindingDB Entry DOI: 10.7270/Q2XS5WW7
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM13627
PNG
(3-Oxybenzamide 13 | tert-butyl N-(4-{2-[2-chloro-5...)
Show SMILES CC(C)(C)OC(=O)Nc1ccc(CCOc2cc(ccc2Cl)C(=O)NCC2CCN(CC2)c2ccncc2)cc1
Show InChI InChI=1S/C31H37ClN4O4/c1-31(2,3)40-30(38)35-25-7-4-22(5-8-25)14-19-39-28-20-24(6-9-27(28)32)29(37)34-21-23-12-17-36(18-13-23)26-10-15-33-16-11-26/h4-11,15-16,20,23H,12-14,17-19,21H2,1-3H3,(H,34,37)(H,35,38)
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4.53E+3n/an/an/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibitory activity against human Coagulation factor X


Bioorg Med Chem Lett 14: 2801-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.059
BindingDB Entry DOI: 10.7270/Q2XS5WW7
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM13633
PNG
(3-Oxybenzamide 19 | 3-[2-(4-cyanophenyl)ethoxy]-4-...)
Show SMILES Fc1ccc(cc1OCCc1ccc(cc1)C#N)C(=O)NCC1CCN(CC1)c1ccncc1
Show InChI InChI=1S/C27H27FN4O2/c28-25-6-5-23(17-26(25)34-16-11-20-1-3-21(18-29)4-2-20)27(33)31-19-22-9-14-32(15-10-22)24-7-12-30-13-8-24/h1-8,12-13,17,22H,9-11,14-16,19H2,(H,31,33)
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4.61E+3n/an/an/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibitory activity against human Coagulation factor X


Bioorg Med Chem Lett 14: 2801-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.059
BindingDB Entry DOI: 10.7270/Q2XS5WW7
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM13637
PNG
(3-Oxybenzamide 23 | tert-butyl N-(4-{2-[2-fluoro-5...)
Show SMILES CC(C)(C)OC(=O)Nc1ccc(CCOc2cc(ccc2F)C(=O)NCC2CCN(CC2)c2ccncc2)cc1
Show InChI InChI=1S/C31H37FN4O4/c1-31(2,3)40-30(38)35-25-7-4-22(5-8-25)14-19-39-28-20-24(6-9-27(28)32)29(37)34-21-23-12-17-36(18-13-23)26-10-15-33-16-11-26/h4-11,15-16,20,23H,12-14,17-19,21H2,1-3H3,(H,34,37)(H,35,38)
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>1.00E+4n/an/an/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibitory activity against human Coagulation factor X


Bioorg Med Chem Lett 14: 2801-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.059
BindingDB Entry DOI: 10.7270/Q2XS5WW7
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50452117
PNG
(CHEMBL97341)
Show SMILES CC(=O)Nc1ccc(COc2cc(ccc2Cl)C(=O)NCC2CCN(CC2)c2ccncc2)cc1
Show InChI InChI=1S/C27H29ClN4O3/c1-19(33)31-23-5-2-21(3-6-23)18-35-26-16-22(4-7-25(26)28)27(34)30-17-20-10-14-32(15-11-20)24-8-12-29-13-9-24/h2-9,12-13,16,20H,10-11,14-15,17-18H2,1H3,(H,30,34)(H,31,33)
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>1.00E+4n/an/an/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibitory activity against human Coagulation factor X


Bioorg Med Chem Lett 14: 2801-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.059
BindingDB Entry DOI: 10.7270/Q2XS5WW7
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50452116
PNG
(CHEMBL97678)
Show SMILES CC(=O)Nc1ccc(COc2cc(ccc2F)C(=O)NCC2CCN(CC2)c2ccncc2)cc1
Show InChI InChI=1S/C27H29FN4O3/c1-19(33)31-23-5-2-21(3-6-23)18-35-26-16-22(4-7-25(26)28)27(34)30-17-20-10-14-32(15-11-20)24-8-12-29-13-9-24/h2-9,12-13,16,20H,10-11,14-15,17-18H2,1H3,(H,30,34)(H,31,33)
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PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibitory activity against human Coagulation factor X


Bioorg Med Chem Lett 14: 2801-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.059
BindingDB Entry DOI: 10.7270/Q2XS5WW7
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%