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PubMed code 16213138

Compile data set for download or QSAR
Found 80 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 VII


(Homo sapiens (human))
BDBM13554
PNG
((2S)-2-{2-[2-(benzenesulfonyl)-4-(benzyloxy)-5-met...)
Show SMILES COc1cc(C(Nc2ccc(cc2)C(N)=N)C(=O)N[C@H](C(O)=O)c2ccccc2)c(cc1OCc1ccccc1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C37H34N4O7S/c1-47-30-21-29(32(49(45,46)28-15-9-4-10-16-28)22-31(30)48-23-24-11-5-2-6-12-24)34(40-27-19-17-26(18-20-27)35(38)39)36(42)41-33(37(43)44)25-13-7-3-8-14-25/h2-22,33-34,40H,23H2,1H3,(H3,38,39)(H,41,42)(H,43,44)/t33-,34?/m0/s1
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2 -49.2n/an/an/an/an/a7.822



F. Hoffmann-La Roche Ltd.



Assay Description
The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...


Bioorg Med Chem Lett 15: 5344-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.079
BindingDB Entry DOI: 10.7270/Q2X63K6X
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (human))
BDBM13552
PNG
((2S)-2-[(2R)-2-[4-(benzyloxy)-3-methoxyphenyl]-2-[...)
Show SMILES COc1cc(ccc1OCc1ccccc1)[C@@H](Nc1ccc(cc1)C(N)=N)C(=O)N[C@H](C(O)=O)c1ccccc1
Show InChI InChI=1S/C31H30N4O5/c1-39-26-18-23(14-17-25(26)40-19-20-8-4-2-5-9-20)27(34-24-15-12-22(13-16-24)29(32)33)30(36)35-28(31(37)38)21-10-6-3-7-11-21/h2-18,27-28,34H,19H2,1H3,(H3,32,33)(H,35,36)(H,37,38)/t27-,28+/m1/s1
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4 -47.5n/an/an/an/an/a7.822



F. Hoffmann-La Roche Ltd.



Assay Description
The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...


Bioorg Med Chem Lett 15: 5344-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.079
BindingDB Entry DOI: 10.7270/Q2X63K6X
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Coagulation factor VII


(Homo sapiens (human))
BDBM13555
PNG
((2S)-2-{2-[4-(benzyloxy)-5-methoxy-2-(2-phenylacet...)
Show SMILES COc1cc(C(Nc2ccc(cc2)C(N)=N)C(=O)N[C@H](C(O)=O)c2ccccc2)c(cc1OCc1ccccc1)C(=O)Cc1ccccc1
Show InChI InChI=1S/C39H36N4O6/c1-48-33-23-31(30(32(44)21-25-11-5-2-6-12-25)22-34(33)49-24-26-13-7-3-8-14-26)36(42-29-19-17-28(18-20-29)37(40)41)38(45)43-35(39(46)47)27-15-9-4-10-16-27/h2-20,22-23,35-36,42H,21,24H2,1H3,(H3,40,41)(H,43,45)(H,46,47)/t35-,36?/m0/s1
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7 -46.1n/an/an/an/an/a7.822



F. Hoffmann-La Roche Ltd.



Assay Description
The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...


Bioorg Med Chem Lett 15: 5344-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.079
BindingDB Entry DOI: 10.7270/Q2X63K6X
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (human))
BDBM13557
PNG
(2-[4-(benzyloxy)-3-ethoxyphenyl]-2-[(4-carbamimido...)
Show SMILES CCOc1cc(ccc1OCc1ccccc1)C(Nc1ccc(cc1)C(N)=N)C(O)=O
Show InChI InChI=1S/C24H25N3O4/c1-2-30-21-14-18(10-13-20(21)31-15-16-6-4-3-5-7-16)22(24(28)29)27-19-11-8-17(9-12-19)23(25)26/h3-14,22,27H,2,15H2,1H3,(H3,25,26)(H,28,29)
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28 -42.7n/an/an/an/an/a7.822



F. Hoffmann-La Roche Ltd.



Assay Description
The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...


Bioorg Med Chem Lett 15: 5344-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.079
BindingDB Entry DOI: 10.7270/Q2X63K6X
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM13552
PNG
((2S)-2-[(2R)-2-[4-(benzyloxy)-3-methoxyphenyl]-2-[...)
Show SMILES COc1cc(ccc1OCc1ccccc1)[C@@H](Nc1ccc(cc1)C(N)=N)C(=O)N[C@H](C(O)=O)c1ccccc1
Show InChI InChI=1S/C31H30N4O5/c1-39-26-18-23(14-17-25(26)40-19-20-8-4-2-5-9-20)27(34-24-15-12-22(13-16-24)29(32)33)30(36)35-28(31(37)38)21-10-6-3-7-11-21/h2-18,27-28,34H,19H2,1H3,(H3,32,33)(H,35,36)(H,37,38)/t27-,28+/m1/s1
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35n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.



Assay Description
The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...


Bioorg Med Chem Lett 15: 5344-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.079
BindingDB Entry DOI: 10.7270/Q2X63K6X
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (human))
BDBM13562
PNG
(2-[(4-carbamimidoylphenyl)amino]-2-[3-ethynyl-5-(o...)
Show SMILES NC(=N)c1ccc(NC(C(O)=O)c2cc(OC3CCOCC3)cc(c2)C#C)cc1
Show InChI InChI=1S/C22H23N3O4/c1-2-14-11-16(13-19(12-14)29-18-7-9-28-10-8-18)20(22(26)27)25-17-5-3-15(4-6-17)21(23)24/h1,3-6,11-13,18,20,25H,7-10H2,(H3,23,24)(H,26,27)
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38 -41.9n/an/an/an/an/a7.822



F. Hoffmann-La Roche Ltd.



Assay Description
The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...


Bioorg Med Chem Lett 15: 5344-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.079
BindingDB Entry DOI: 10.7270/Q2X63K6X
More data for this
Ligand-Target Pair
Trypsin


(Bos taurus (bovine))
BDBM13552
PNG
((2S)-2-[(2R)-2-[4-(benzyloxy)-3-methoxyphenyl]-2-[...)
Show SMILES COc1cc(ccc1OCc1ccccc1)[C@@H](Nc1ccc(cc1)C(N)=N)C(=O)N[C@H](C(O)=O)c1ccccc1
Show InChI InChI=1S/C31H30N4O5/c1-39-26-18-23(14-17-25(26)40-19-20-8-4-2-5-9-20)27(34-24-15-12-22(13-16-24)29(32)33)30(36)35-28(31(37)38)21-10-6-3-7-11-21/h2-18,27-28,34H,19H2,1H3,(H3,32,33)(H,35,36)(H,37,38)/t27-,28+/m1/s1
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40n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.



Assay Description
The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...


Bioorg Med Chem Lett 15: 5344-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.079
BindingDB Entry DOI: 10.7270/Q2X63K6X
More data for this
Ligand-Target Pair
Trypsin


(Bos taurus (bovine))
BDBM13554
PNG
((2S)-2-{2-[2-(benzenesulfonyl)-4-(benzyloxy)-5-met...)
Show SMILES COc1cc(C(Nc2ccc(cc2)C(N)=N)C(=O)N[C@H](C(O)=O)c2ccccc2)c(cc1OCc1ccccc1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C37H34N4O7S/c1-47-30-21-29(32(49(45,46)28-15-9-4-10-16-28)22-31(30)48-23-24-11-5-2-6-12-24)34(40-27-19-17-26(18-20-27)35(38)39)36(42)41-33(37(43)44)25-13-7-3-8-14-25/h2-22,33-34,40H,23H2,1H3,(H3,38,39)(H,41,42)(H,43,44)/t33-,34?/m0/s1
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50n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.



Assay Description
The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...


Bioorg Med Chem Lett 15: 5344-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.079
BindingDB Entry DOI: 10.7270/Q2X63K6X
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (human))
BDBM13560
PNG
(2-[(4-carbamimidoylphenyl)amino]-2-[3-ethyl-5-(oxa...)
Show SMILES CCc1cc(OC2CCOCC2)cc(c1)C(Nc1ccc(cc1)C(N)=N)C(O)=O
Show InChI InChI=1S/C22H27N3O4/c1-2-14-11-16(13-19(12-14)29-18-7-9-28-10-8-18)20(22(26)27)25-17-5-3-15(4-6-17)21(23)24/h3-6,11-13,18,20,25H,2,7-10H2,1H3,(H3,23,24)(H,26,27)
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60 -40.8n/an/an/an/an/a7.822



F. Hoffmann-La Roche Ltd.



Assay Description
The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...


Bioorg Med Chem Lett 15: 5344-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.079
BindingDB Entry DOI: 10.7270/Q2X63K6X
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (human))
BDBM13556
PNG
(2-[4-(benzyloxy)-3-methoxyphenyl]-2-[(4-carbamimid...)
Show SMILES COc1cc(ccc1OCc1ccccc1)C(Nc1ccc(cc1)C(N)=N)C(O)=O
Show InChI InChI=1S/C23H23N3O4/c1-29-20-13-17(9-12-19(20)30-14-15-5-3-2-4-6-15)21(23(27)28)26-18-10-7-16(8-11-18)22(24)25/h2-13,21,26H,14H2,1H3,(H3,24,25)(H,27,28)
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61 -40.8n/an/an/an/an/a7.822



F. Hoffmann-La Roche Ltd.



Assay Description
The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...


Bioorg Med Chem Lett 15: 5344-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.079
BindingDB Entry DOI: 10.7270/Q2X63K6X
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (human))
BDBM13567
PNG
(2-[(4-carbamimidoylphenyl)amino]-2-{3-ethynyl-5-[(...)
Show SMILES NC(=N)c1ccc(NC(C(O)=O)c2cc(O[C@H]3CCOC3)cc(c2)C#C)cc1
Show InChI InChI=1S/C21H21N3O4/c1-2-13-9-15(11-18(10-13)28-17-7-8-27-12-17)19(21(25)26)24-16-5-3-14(4-6-16)20(22)23/h1,3-6,9-11,17,19,24H,7-8,12H2,(H3,22,23)(H,25,26)/t17-,19?/m0/s1
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65 -40.6n/an/an/an/an/a7.822



F. Hoffmann-La Roche Ltd.



Assay Description
The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...


Bioorg Med Chem Lett 15: 5344-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.079
BindingDB Entry DOI: 10.7270/Q2X63K6X
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (human))
BDBM13561
PNG
(2-[(4-carbamimidoylphenyl)amino]-2-[3-ethenyl-5-(o...)
Show SMILES NC(=N)c1ccc(NC(C(O)=O)c2cc(OC3CCOCC3)cc(C=C)c2)cc1
Show InChI InChI=1S/C22H25N3O4/c1-2-14-11-16(13-19(12-14)29-18-7-9-28-10-8-18)20(22(26)27)25-17-5-3-15(4-6-17)21(23)24/h2-6,11-13,18,20,25H,1,7-10H2,(H3,23,24)(H,26,27)
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69 -40.5n/an/an/an/an/a7.822



F. Hoffmann-La Roche Ltd.



Assay Description
The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...


Bioorg Med Chem Lett 15: 5344-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.079
BindingDB Entry DOI: 10.7270/Q2X63K6X
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM13556
PNG
(2-[4-(benzyloxy)-3-methoxyphenyl]-2-[(4-carbamimid...)
Show SMILES COc1cc(ccc1OCc1ccccc1)C(Nc1ccc(cc1)C(N)=N)C(O)=O
Show InChI InChI=1S/C23H23N3O4/c1-29-20-13-17(9-12-19(20)30-14-15-5-3-2-4-6-15)21(23(27)28)26-18-10-7-16(8-11-18)22(24)25/h2-13,21,26H,14H2,1H3,(H3,24,25)(H,27,28)
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74n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.



Assay Description
The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...


Bioorg Med Chem Lett 15: 5344-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.079
BindingDB Entry DOI: 10.7270/Q2X63K6X
More data for this
Ligand-Target Pair
Trypsin


(Bos taurus (bovine))
BDBM13555
PNG
((2S)-2-{2-[4-(benzyloxy)-5-methoxy-2-(2-phenylacet...)
Show SMILES COc1cc(C(Nc2ccc(cc2)C(N)=N)C(=O)N[C@H](C(O)=O)c2ccccc2)c(cc1OCc1ccccc1)C(=O)Cc1ccccc1
Show InChI InChI=1S/C39H36N4O6/c1-48-33-23-31(30(32(44)21-25-11-5-2-6-12-25)22-34(33)49-24-26-13-7-3-8-14-26)36(42-29-19-17-28(18-20-29)37(40)41)38(45)43-35(39(46)47)27-15-9-4-10-16-27/h2-20,22-23,35-36,42H,21,24H2,1H3,(H3,40,41)(H,43,45)(H,46,47)/t35-,36?/m0/s1
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80n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.



Assay Description
The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...


Bioorg Med Chem Lett 15: 5344-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.079
BindingDB Entry DOI: 10.7270/Q2X63K6X
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM13557
PNG
(2-[4-(benzyloxy)-3-ethoxyphenyl]-2-[(4-carbamimido...)
Show SMILES CCOc1cc(ccc1OCc1ccccc1)C(Nc1ccc(cc1)C(N)=N)C(O)=O
Show InChI InChI=1S/C24H25N3O4/c1-2-30-21-14-18(10-13-20(21)31-15-16-6-4-3-5-7-16)22(24(28)29)27-19-11-8-17(9-12-19)23(25)26/h3-14,22,27H,2,15H2,1H3,(H3,25,26)(H,28,29)
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85n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.



Assay Description
The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...


Bioorg Med Chem Lett 15: 5344-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.079
BindingDB Entry DOI: 10.7270/Q2X63K6X
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (human))
BDBM13563
PNG
(2-[(4-carbamimidoylphenyl)amino]-2-{3-ethoxy-5-[(4...)
Show SMILES CCOc1cc(O[C@H]2CC[C@H](O)CC2)cc(c1)C(Nc1ccc(cc1)C(N)=N)C(O)=O
Show InChI InChI=1S/C23H29N3O5/c1-2-30-19-11-15(12-20(13-19)31-18-9-7-17(27)8-10-18)21(23(28)29)26-16-5-3-14(4-6-16)22(24)25/h3-6,11-13,17-18,21,26-27H,2,7-10H2,1H3,(H3,24,25)(H,28,29)/t17-,18-,21?
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110 -39.3n/an/an/an/an/a7.822



F. Hoffmann-La Roche Ltd.



Assay Description
The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...


Bioorg Med Chem Lett 15: 5344-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.079
BindingDB Entry DOI: 10.7270/Q2X63K6X
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (human))
BDBM13570
PNG
((2R)-2-[(4-carbamimidoylphenyl)amino]-2-{3-ethoxy-...)
Show SMILES CCOc1cc(O[C@H]2CCOC2)cc(c1)[C@@H](Nc1ccc(cc1)C(N)=N)C(O)=O
Show InChI InChI=1S/C21H25N3O5/c1-2-28-17-9-14(10-18(11-17)29-16-7-8-27-12-16)19(21(25)26)24-15-5-3-13(4-6-15)20(22)23/h3-6,9-11,16,19,24H,2,7-8,12H2,1H3,(H3,22,23)(H,25,26)/t16-,19+/m0/s1
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120 -39.1n/an/an/an/an/a7.822



F. Hoffmann-La Roche Ltd.



Assay Description
The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...


Bioorg Med Chem Lett 15: 5344-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.079
BindingDB Entry DOI: 10.7270/Q2X63K6X
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (human))
BDBM13569
PNG
(2-[(4-carbamimidoylphenyl)amino]-2-{3-ethynyl-5-[(...)
Show SMILES NC(=N)c1ccc(NC(C(O)=O)c2cc(O[C@@H]3CCOC3)cc(c2)C#C)cc1
Show InChI InChI=1S/C21H21N3O4/c1-2-13-9-15(11-18(10-13)28-17-7-8-27-12-17)19(21(25)26)24-16-5-3-14(4-6-16)20(22)23/h1,3-6,9-11,17,19,24H,7-8,12H2,(H3,22,23)(H,25,26)/t17-,19?/m1/s1
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129 -38.9n/an/an/an/an/a7.822



F. Hoffmann-La Roche Ltd.



Assay Description
The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...


Bioorg Med Chem Lett 15: 5344-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.079
BindingDB Entry DOI: 10.7270/Q2X63K6X
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (human))
BDBM13571
PNG
(2-[(4-carbamimidoylphenyl)amino]-2-(3-ethoxy-5-phe...)
Show SMILES CCOc1cc(cc(c1)-c1ccccc1)C(Nc1ccc(cc1)C(N)=N)C(O)=O
Show InChI InChI=1S/C23H23N3O3/c1-2-29-20-13-17(15-6-4-3-5-7-15)12-18(14-20)21(23(27)28)26-19-10-8-16(9-11-19)22(24)25/h3-14,21,26H,2H2,1H3,(H3,24,25)(H,27,28)
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130 -38.9n/an/an/an/an/a7.822



F. Hoffmann-La Roche Ltd.



Assay Description
The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...


Bioorg Med Chem Lett 15: 5344-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.079
BindingDB Entry DOI: 10.7270/Q2X63K6X
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (human))
BDBM13559
PNG
(2-[(4-carbamimidoylphenyl)amino]-2-[3-ethoxy-5-(ox...)
Show SMILES CCOc1cc(OC2CCOCC2)cc(c1)C(Nc1ccc(cc1)C(N)=N)C(O)=O
Show InChI InChI=1S/C22H27N3O5/c1-2-29-18-11-15(12-19(13-18)30-17-7-9-28-10-8-17)20(22(26)27)25-16-5-3-14(4-6-16)21(23)24/h3-6,11-13,17,20,25H,2,7-10H2,1H3,(H3,23,24)(H,26,27)
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140 -38.7n/an/an/an/an/a7.822



F. Hoffmann-La Roche Ltd.



Assay Description
The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...


Bioorg Med Chem Lett 15: 5344-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.079
BindingDB Entry DOI: 10.7270/Q2X63K6X
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (human))
BDBM13564
PNG
(2-[(4-carbamimidoylphenyl)amino]-2-{3-ethoxy-5-[(1...)
Show SMILES CCOc1cc(OC2CCN(CC2)S(C)(=O)=O)cc(c1)C(Nc1ccc(cc1)C(N)=N)C(O)=O
Show InChI InChI=1S/C23H30N4O6S/c1-3-32-19-12-16(21(23(28)29)26-17-6-4-15(5-7-17)22(24)25)13-20(14-19)33-18-8-10-27(11-9-18)34(2,30)31/h4-7,12-14,18,21,26H,3,8-11H2,1-2H3,(H3,24,25)(H,28,29)
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180 -38.1n/an/an/an/an/a7.822



F. Hoffmann-La Roche Ltd.



Assay Description
The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...


Bioorg Med Chem Lett 15: 5344-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.079
BindingDB Entry DOI: 10.7270/Q2X63K6X
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (human))
BDBM13558
PNG
(2-[(4-carbamimidoylphenyl)amino]-2-(3,5-diethoxyph...)
Show SMILES CCOc1cc(OCC)cc(c1)C(Nc1ccc(cc1)C(N)=N)C(O)=O
Show InChI InChI=1S/C19H23N3O4/c1-3-25-15-9-13(10-16(11-15)26-4-2)17(19(23)24)22-14-7-5-12(6-8-14)18(20)21/h5-11,17,22H,3-4H2,1-2H3,(H3,20,21)(H,23,24)
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190 -38.0n/an/an/an/an/a7.822



F. Hoffmann-La Roche Ltd.



Assay Description
The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...


Bioorg Med Chem Lett 15: 5344-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.079
BindingDB Entry DOI: 10.7270/Q2X63K6X
More data for this
Ligand-Target Pair
Trypsin


(Bos taurus (bovine))
BDBM13556
PNG
(2-[4-(benzyloxy)-3-methoxyphenyl]-2-[(4-carbamimid...)
Show SMILES COc1cc(ccc1OCc1ccccc1)C(Nc1ccc(cc1)C(N)=N)C(O)=O
Show InChI InChI=1S/C23H23N3O4/c1-29-20-13-17(9-12-19(20)30-14-15-5-3-2-4-6-15)21(23(27)28)26-18-10-7-16(8-11-18)22(24)25/h2-13,21,26H,14H2,1H3,(H3,24,25)(H,27,28)
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310n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.



Assay Description
The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...


Bioorg Med Chem Lett 15: 5344-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.079
BindingDB Entry DOI: 10.7270/Q2X63K6X
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (human))
BDBM13566
PNG
(2-[(4-carbamimidoylphenyl)amino]-2-{3-ethoxy-5-[(3...)
Show SMILES CCOc1cc(O[C@H]2CCOC2)cc(c1)C(Nc1ccc(cc1)C(N)=N)C(O)=O
Show InChI InChI=1S/C21H25N3O5/c1-2-28-17-9-14(10-18(11-17)29-16-7-8-27-12-16)19(21(25)26)24-15-5-3-13(4-6-15)20(22)23/h3-6,9-11,16,19,24H,2,7-8,12H2,1H3,(H3,22,23)(H,25,26)/t16-,19?/m0/s1
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330 -36.6n/an/an/an/an/a7.822



F. Hoffmann-La Roche Ltd.



Assay Description
The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...


Bioorg Med Chem Lett 15: 5344-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.079
BindingDB Entry DOI: 10.7270/Q2X63K6X
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (human))
BDBM13568
PNG
(2-[(4-carbamimidoylphenyl)amino]-2-{3-ethoxy-5-[(3...)
Show SMILES CCOc1cc(O[C@@H]2CCOC2)cc(c1)C(Nc1ccc(cc1)C(N)=N)C(O)=O
Show InChI InChI=1S/C21H25N3O5/c1-2-28-17-9-14(10-18(11-17)29-16-7-8-27-12-16)19(21(25)26)24-15-5-3-13(4-6-15)20(22)23/h3-6,9-11,16,19,24H,2,7-8,12H2,1H3,(H3,22,23)(H,25,26)/t16-,19?/m1/s1
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430 -36.0n/an/an/an/an/a7.822



F. Hoffmann-La Roche Ltd.



Assay Description
The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...


Bioorg Med Chem Lett 15: 5344-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.079
BindingDB Entry DOI: 10.7270/Q2X63K6X
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (human))
BDBM13565
PNG
(2-[(4-carbamimidoylphenyl)amino]-2-{3-ethoxy-5-[(1...)
Show SMILES CCOc1cc(OC2CCN(C)CC2)cc(c1)C(Nc1ccc(cc1)C(N)=N)C(O)=O
Show InChI InChI=1S/C23H30N4O4/c1-3-30-19-12-16(13-20(14-19)31-18-8-10-27(2)11-9-18)21(23(28)29)26-17-6-4-15(5-7-17)22(24)25/h4-7,12-14,18,21,26H,3,8-11H2,1-2H3,(H3,24,25)(H,28,29)
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480 -35.7n/an/an/an/an/a7.822



F. Hoffmann-La Roche Ltd.



Assay Description
The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...


Bioorg Med Chem Lett 15: 5344-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.079
BindingDB Entry DOI: 10.7270/Q2X63K6X
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (human))
BDBM13572
PNG
(2-[(4-carbamimidoylphenyl)amino]-2-[3-ethoxy-5-(py...)
Show SMILES CCOc1cc(cc(c1)-c1cccnc1)C(Nc1ccc(cc1)C(N)=N)C(O)=O
Show InChI InChI=1S/C22H22N4O3/c1-2-29-19-11-16(15-4-3-9-25-13-15)10-17(12-19)20(22(27)28)26-18-7-5-14(6-8-18)21(23)24/h3-13,20,26H,2H2,1H3,(H3,23,24)(H,27,28)
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510 -35.6n/an/an/an/an/a7.822



F. Hoffmann-La Roche Ltd.



Assay Description
The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...


Bioorg Med Chem Lett 15: 5344-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.079
BindingDB Entry DOI: 10.7270/Q2X63K6X
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM13554
PNG
((2S)-2-{2-[2-(benzenesulfonyl)-4-(benzyloxy)-5-met...)
Show SMILES COc1cc(C(Nc2ccc(cc2)C(N)=N)C(=O)N[C@H](C(O)=O)c2ccccc2)c(cc1OCc1ccccc1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C37H34N4O7S/c1-47-30-21-29(32(49(45,46)28-15-9-4-10-16-28)22-31(30)48-23-24-11-5-2-6-12-24)34(40-27-19-17-26(18-20-27)35(38)39)36(42)41-33(37(43)44)25-13-7-3-8-14-25/h2-22,33-34,40H,23H2,1H3,(H3,38,39)(H,41,42)(H,43,44)/t33-,34?/m0/s1
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540n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.



Assay Description
The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...


Bioorg Med Chem Lett 15: 5344-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.079
BindingDB Entry DOI: 10.7270/Q2X63K6X
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM13556
PNG
(2-[4-(benzyloxy)-3-methoxyphenyl]-2-[(4-carbamimid...)
Show SMILES COc1cc(ccc1OCc1ccccc1)C(Nc1ccc(cc1)C(N)=N)C(O)=O
Show InChI InChI=1S/C23H23N3O4/c1-29-20-13-17(9-12-19(20)30-14-15-5-3-2-4-6-15)21(23(27)28)26-18-10-7-16(8-11-18)22(24)25/h2-13,21,26H,14H2,1H3,(H3,24,25)(H,27,28)
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730n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.



Assay Description
The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...


Bioorg Med Chem Lett 15: 5344-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.079
BindingDB Entry DOI: 10.7270/Q2X63K6X
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM13557
PNG
(2-[4-(benzyloxy)-3-ethoxyphenyl]-2-[(4-carbamimido...)
Show SMILES CCOc1cc(ccc1OCc1ccccc1)C(Nc1ccc(cc1)C(N)=N)C(O)=O
Show InChI InChI=1S/C24H25N3O4/c1-2-30-21-14-18(10-13-20(21)31-15-16-6-4-3-5-7-16)22(24(28)29)27-19-11-8-17(9-12-19)23(25)26/h3-14,22,27H,2,15H2,1H3,(H3,25,26)(H,28,29)
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790n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.



Assay Description
The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...


Bioorg Med Chem Lett 15: 5344-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.079
BindingDB Entry DOI: 10.7270/Q2X63K6X
More data for this
Ligand-Target Pair
Trypsin


(Bos taurus (bovine))
BDBM13557
PNG
(2-[4-(benzyloxy)-3-ethoxyphenyl]-2-[(4-carbamimido...)
Show SMILES CCOc1cc(ccc1OCc1ccccc1)C(Nc1ccc(cc1)C(N)=N)C(O)=O
Show InChI InChI=1S/C24H25N3O4/c1-2-30-21-14-18(10-13-20(21)31-15-16-6-4-3-5-7-16)22(24(28)29)27-19-11-8-17(9-12-19)23(25)26/h3-14,22,27H,2,15H2,1H3,(H3,25,26)(H,28,29)
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1.00E+3n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.



Assay Description
The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...


Bioorg Med Chem Lett 15: 5344-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.079
BindingDB Entry DOI: 10.7270/Q2X63K6X
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM13571
PNG
(2-[(4-carbamimidoylphenyl)amino]-2-(3-ethoxy-5-phe...)
Show SMILES CCOc1cc(cc(c1)-c1ccccc1)C(Nc1ccc(cc1)C(N)=N)C(O)=O
Show InChI InChI=1S/C23H23N3O3/c1-2-29-20-13-17(15-6-4-3-5-7-15)12-18(14-20)21(23(27)28)26-19-10-8-16(9-11-19)22(24)25/h3-14,21,26H,2H2,1H3,(H3,24,25)(H,27,28)
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1.40E+3n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.



Assay Description
The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...


Bioorg Med Chem Lett 15: 5344-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.079
BindingDB Entry DOI: 10.7270/Q2X63K6X
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM13570
PNG
((2R)-2-[(4-carbamimidoylphenyl)amino]-2-{3-ethoxy-...)
Show SMILES CCOc1cc(O[C@H]2CCOC2)cc(c1)[C@@H](Nc1ccc(cc1)C(N)=N)C(O)=O
Show InChI InChI=1S/C21H25N3O5/c1-2-28-17-9-14(10-18(11-17)29-16-7-8-27-12-16)19(21(25)26)24-15-5-3-13(4-6-15)20(22)23/h3-6,9-11,16,19,24H,2,7-8,12H2,1H3,(H3,22,23)(H,25,26)/t16-,19+/m0/s1
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1.50E+3n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.



Assay Description
The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...


Bioorg Med Chem Lett 15: 5344-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.079
BindingDB Entry DOI: 10.7270/Q2X63K6X
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM13560
PNG
(2-[(4-carbamimidoylphenyl)amino]-2-[3-ethyl-5-(oxa...)
Show SMILES CCc1cc(OC2CCOCC2)cc(c1)C(Nc1ccc(cc1)C(N)=N)C(O)=O
Show InChI InChI=1S/C22H27N3O4/c1-2-14-11-16(13-19(12-14)29-18-7-9-28-10-8-18)20(22(26)27)25-17-5-3-15(4-6-17)21(23)24/h3-6,11-13,18,20,25H,2,7-10H2,1H3,(H3,23,24)(H,26,27)
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1.60E+3n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.



Assay Description
The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...


Bioorg Med Chem Lett 15: 5344-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.079
BindingDB Entry DOI: 10.7270/Q2X63K6X
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM13565
PNG
(2-[(4-carbamimidoylphenyl)amino]-2-{3-ethoxy-5-[(1...)
Show SMILES CCOc1cc(OC2CCN(C)CC2)cc(c1)C(Nc1ccc(cc1)C(N)=N)C(O)=O
Show InChI InChI=1S/C23H30N4O4/c1-3-30-19-12-16(13-20(14-19)31-18-8-10-27(2)11-9-18)21(23(28)29)26-17-6-4-15(5-7-17)22(24)25/h4-7,12-14,18,21,26H,3,8-11H2,1-2H3,(H3,24,25)(H,28,29)
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1.60E+3n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.



Assay Description
The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...


Bioorg Med Chem Lett 15: 5344-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.079
BindingDB Entry DOI: 10.7270/Q2X63K6X
More data for this
Ligand-Target Pair
Trypsin


(Bos taurus (bovine))
BDBM13562
PNG
(2-[(4-carbamimidoylphenyl)amino]-2-[3-ethynyl-5-(o...)
Show SMILES NC(=N)c1ccc(NC(C(O)=O)c2cc(OC3CCOCC3)cc(c2)C#C)cc1
Show InChI InChI=1S/C22H23N3O4/c1-2-14-11-16(13-19(12-14)29-18-7-9-28-10-8-18)20(22(26)27)25-17-5-3-15(4-6-17)21(23)24/h1,3-6,11-13,18,20,25H,7-10H2,(H3,23,24)(H,26,27)
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1.90E+3n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.



Assay Description
The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...


Bioorg Med Chem Lett 15: 5344-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.079
BindingDB Entry DOI: 10.7270/Q2X63K6X
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM13572
PNG
(2-[(4-carbamimidoylphenyl)amino]-2-[3-ethoxy-5-(py...)
Show SMILES CCOc1cc(cc(c1)-c1cccnc1)C(Nc1ccc(cc1)C(N)=N)C(O)=O
Show InChI InChI=1S/C22H22N4O3/c1-2-29-19-11-16(15-4-3-9-25-13-15)10-17(12-19)20(22(27)28)26-18-7-5-14(6-8-18)21(23)24/h3-13,20,26H,2H2,1H3,(H3,23,24)(H,27,28)
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2.20E+3n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.



Assay Description
The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...


Bioorg Med Chem Lett 15: 5344-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.079
BindingDB Entry DOI: 10.7270/Q2X63K6X
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM13566
PNG
(2-[(4-carbamimidoylphenyl)amino]-2-{3-ethoxy-5-[(3...)
Show SMILES CCOc1cc(O[C@H]2CCOC2)cc(c1)C(Nc1ccc(cc1)C(N)=N)C(O)=O
Show InChI InChI=1S/C21H25N3O5/c1-2-28-17-9-14(10-18(11-17)29-16-7-8-27-12-16)19(21(25)26)24-15-5-3-13(4-6-15)20(22)23/h3-6,9-11,16,19,24H,2,7-8,12H2,1H3,(H3,22,23)(H,25,26)/t16-,19?/m0/s1
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2.30E+3n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.



Assay Description
The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...


Bioorg Med Chem Lett 15: 5344-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.079
BindingDB Entry DOI: 10.7270/Q2X63K6X
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM13567
PNG
(2-[(4-carbamimidoylphenyl)amino]-2-{3-ethynyl-5-[(...)
Show SMILES NC(=N)c1ccc(NC(C(O)=O)c2cc(O[C@H]3CCOC3)cc(c2)C#C)cc1
Show InChI InChI=1S/C21H21N3O4/c1-2-13-9-15(11-18(10-13)28-17-7-8-27-12-17)19(21(25)26)24-16-5-3-14(4-6-16)20(22)23/h1,3-6,9-11,17,19,24H,7-8,12H2,(H3,22,23)(H,25,26)/t17-,19?/m0/s1
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2.60E+3n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.



Assay Description
The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...


Bioorg Med Chem Lett 15: 5344-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.079
BindingDB Entry DOI: 10.7270/Q2X63K6X
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM13559
PNG
(2-[(4-carbamimidoylphenyl)amino]-2-[3-ethoxy-5-(ox...)
Show SMILES CCOc1cc(OC2CCOCC2)cc(c1)C(Nc1ccc(cc1)C(N)=N)C(O)=O
Show InChI InChI=1S/C22H27N3O5/c1-2-29-18-11-15(12-19(13-18)30-17-7-9-28-10-8-17)20(22(26)27)25-16-5-3-14(4-6-16)21(23)24/h3-6,11-13,17,20,25H,2,7-10H2,1H3,(H3,23,24)(H,26,27)
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2.90E+3n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.



Assay Description
The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...


Bioorg Med Chem Lett 15: 5344-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.079
BindingDB Entry DOI: 10.7270/Q2X63K6X
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM13561
PNG
(2-[(4-carbamimidoylphenyl)amino]-2-[3-ethenyl-5-(o...)
Show SMILES NC(=N)c1ccc(NC(C(O)=O)c2cc(OC3CCOCC3)cc(C=C)c2)cc1
Show InChI InChI=1S/C22H25N3O4/c1-2-14-11-16(13-19(12-14)29-18-7-9-28-10-8-18)20(22(26)27)25-17-5-3-15(4-6-17)21(23)24/h2-6,11-13,18,20,25H,1,7-10H2,(H3,23,24)(H,26,27)
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2.90E+3n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.



Assay Description
The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...


Bioorg Med Chem Lett 15: 5344-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.079
BindingDB Entry DOI: 10.7270/Q2X63K6X
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM13562
PNG
(2-[(4-carbamimidoylphenyl)amino]-2-[3-ethynyl-5-(o...)
Show SMILES NC(=N)c1ccc(NC(C(O)=O)c2cc(OC3CCOCC3)cc(c2)C#C)cc1
Show InChI InChI=1S/C22H23N3O4/c1-2-14-11-16(13-19(12-14)29-18-7-9-28-10-8-18)20(22(26)27)25-17-5-3-15(4-6-17)21(23)24/h1,3-6,11-13,18,20,25H,7-10H2,(H3,23,24)(H,26,27)
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2.90E+3n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.



Assay Description
The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...


Bioorg Med Chem Lett 15: 5344-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.079
BindingDB Entry DOI: 10.7270/Q2X63K6X
More data for this
Ligand-Target Pair
Trypsin


(Bos taurus (bovine))
BDBM13564
PNG
(2-[(4-carbamimidoylphenyl)amino]-2-{3-ethoxy-5-[(1...)
Show SMILES CCOc1cc(OC2CCN(CC2)S(C)(=O)=O)cc(c1)C(Nc1ccc(cc1)C(N)=N)C(O)=O
Show InChI InChI=1S/C23H30N4O6S/c1-3-32-19-12-16(21(23(28)29)26-17-6-4-15(5-7-17)22(24)25)13-20(14-19)33-18-8-10-27(11-9-18)34(2,30)31/h4-7,12-14,18,21,26H,3,8-11H2,1-2H3,(H3,24,25)(H,28,29)
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3.50E+3n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.



Assay Description
The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...


Bioorg Med Chem Lett 15: 5344-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.079
BindingDB Entry DOI: 10.7270/Q2X63K6X
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM13564
PNG
(2-[(4-carbamimidoylphenyl)amino]-2-{3-ethoxy-5-[(1...)
Show SMILES CCOc1cc(OC2CCN(CC2)S(C)(=O)=O)cc(c1)C(Nc1ccc(cc1)C(N)=N)C(O)=O
Show InChI InChI=1S/C23H30N4O6S/c1-3-32-19-12-16(21(23(28)29)26-17-6-4-15(5-7-17)22(24)25)13-20(14-19)33-18-8-10-27(11-9-18)34(2,30)31/h4-7,12-14,18,21,26H,3,8-11H2,1-2H3,(H3,24,25)(H,28,29)
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>3.50E+3n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.



Assay Description
The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...


Bioorg Med Chem Lett 15: 5344-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.079
BindingDB Entry DOI: 10.7270/Q2X63K6X
More data for this
Ligand-Target Pair
Trypsin


(Bos taurus (bovine))
BDBM13563
PNG
(2-[(4-carbamimidoylphenyl)amino]-2-{3-ethoxy-5-[(4...)
Show SMILES CCOc1cc(O[C@H]2CC[C@H](O)CC2)cc(c1)C(Nc1ccc(cc1)C(N)=N)C(O)=O
Show InChI InChI=1S/C23H29N3O5/c1-2-30-19-11-15(12-20(13-19)31-18-9-7-17(27)8-10-18)21(23(28)29)26-16-5-3-14(4-6-16)22(24)25/h3-6,11-13,17-18,21,26-27H,2,7-10H2,1H3,(H3,24,25)(H,28,29)/t17-,18-,21?
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4.00E+3n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.



Assay Description
The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...


Bioorg Med Chem Lett 15: 5344-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.079
BindingDB Entry DOI: 10.7270/Q2X63K6X
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM13564
PNG
(2-[(4-carbamimidoylphenyl)amino]-2-{3-ethoxy-5-[(1...)
Show SMILES CCOc1cc(OC2CCN(CC2)S(C)(=O)=O)cc(c1)C(Nc1ccc(cc1)C(N)=N)C(O)=O
Show InChI InChI=1S/C23H30N4O6S/c1-3-32-19-12-16(21(23(28)29)26-17-6-4-15(5-7-17)22(24)25)13-20(14-19)33-18-8-10-27(11-9-18)34(2,30)31/h4-7,12-14,18,21,26H,3,8-11H2,1-2H3,(H3,24,25)(H,28,29)
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4.40E+3n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.



Assay Description
The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...


Bioorg Med Chem Lett 15: 5344-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.079
BindingDB Entry DOI: 10.7270/Q2X63K6X
More data for this
Ligand-Target Pair
Trypsin


(Bos taurus (bovine))
BDBM13570
PNG
((2R)-2-[(4-carbamimidoylphenyl)amino]-2-{3-ethoxy-...)
Show SMILES CCOc1cc(O[C@H]2CCOC2)cc(c1)[C@@H](Nc1ccc(cc1)C(N)=N)C(O)=O
Show InChI InChI=1S/C21H25N3O5/c1-2-28-17-9-14(10-18(11-17)29-16-7-8-27-12-16)19(21(25)26)24-15-5-3-13(4-6-15)20(22)23/h3-6,9-11,16,19,24H,2,7-8,12H2,1H3,(H3,22,23)(H,25,26)/t16-,19+/m0/s1
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4.50E+3n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.



Assay Description
The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...


Bioorg Med Chem Lett 15: 5344-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.079
BindingDB Entry DOI: 10.7270/Q2X63K6X
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM13570
PNG
((2R)-2-[(4-carbamimidoylphenyl)amino]-2-{3-ethoxy-...)
Show SMILES CCOc1cc(O[C@H]2CCOC2)cc(c1)[C@@H](Nc1ccc(cc1)C(N)=N)C(O)=O
Show InChI InChI=1S/C21H25N3O5/c1-2-28-17-9-14(10-18(11-17)29-16-7-8-27-12-16)19(21(25)26)24-15-5-3-13(4-6-15)20(22)23/h3-6,9-11,16,19,24H,2,7-8,12H2,1H3,(H3,22,23)(H,25,26)/t16-,19+/m0/s1
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4.60E+3n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.



Assay Description
The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...


Bioorg Med Chem Lett 15: 5344-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.079
BindingDB Entry DOI: 10.7270/Q2X63K6X
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM13562
PNG
(2-[(4-carbamimidoylphenyl)amino]-2-[3-ethynyl-5-(o...)
Show SMILES NC(=N)c1ccc(NC(C(O)=O)c2cc(OC3CCOCC3)cc(c2)C#C)cc1
Show InChI InChI=1S/C22H23N3O4/c1-2-14-11-16(13-19(12-14)29-18-7-9-28-10-8-18)20(22(26)27)25-17-5-3-15(4-6-17)21(23)24/h1,3-6,11-13,18,20,25H,7-10H2,(H3,23,24)(H,26,27)
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4.70E+3n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.



Assay Description
The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...


Bioorg Med Chem Lett 15: 5344-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.079
BindingDB Entry DOI: 10.7270/Q2X63K6X
More data for this
Ligand-Target Pair
Trypsin


(Bos taurus (bovine))
BDBM13560
PNG
(2-[(4-carbamimidoylphenyl)amino]-2-[3-ethyl-5-(oxa...)
Show SMILES CCc1cc(OC2CCOCC2)cc(c1)C(Nc1ccc(cc1)C(N)=N)C(O)=O
Show InChI InChI=1S/C22H27N3O4/c1-2-14-11-16(13-19(12-14)29-18-7-9-28-10-8-18)20(22(26)27)25-17-5-3-15(4-6-17)21(23)24/h3-6,11-13,18,20,25H,2,7-10H2,1H3,(H3,23,24)(H,26,27)
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4.80E+3n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.



Assay Description
The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...


Bioorg Med Chem Lett 15: 5344-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.079
BindingDB Entry DOI: 10.7270/Q2X63K6X
More data for this
Ligand-Target Pair
Trypsin


(Bos taurus (bovine))
BDBM13567
PNG
(2-[(4-carbamimidoylphenyl)amino]-2-{3-ethynyl-5-[(...)
Show SMILES NC(=N)c1ccc(NC(C(O)=O)c2cc(O[C@H]3CCOC3)cc(c2)C#C)cc1
Show InChI InChI=1S/C21H21N3O4/c1-2-13-9-15(11-18(10-13)28-17-7-8-27-12-17)19(21(25)26)24-16-5-3-14(4-6-16)20(22)23/h1,3-6,9-11,17,19,24H,7-8,12H2,(H3,22,23)(H,25,26)/t17-,19?/m0/s1
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5.40E+3n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.



Assay Description
The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...


Bioorg Med Chem Lett 15: 5344-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.079
BindingDB Entry DOI: 10.7270/Q2X63K6X
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM13563
PNG
(2-[(4-carbamimidoylphenyl)amino]-2-{3-ethoxy-5-[(4...)
Show SMILES CCOc1cc(O[C@H]2CC[C@H](O)CC2)cc(c1)C(Nc1ccc(cc1)C(N)=N)C(O)=O
Show InChI InChI=1S/C23H29N3O5/c1-2-30-19-11-15(12-20(13-19)31-18-9-7-17(27)8-10-18)21(23(28)29)26-16-5-3-14(4-6-16)22(24)25/h3-6,11-13,17-18,21,26-27H,2,7-10H2,1H3,(H3,24,25)(H,28,29)/t17-,18-,21?
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5.50E+3n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.



Assay Description
The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...


Bioorg Med Chem Lett 15: 5344-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.079
BindingDB Entry DOI: 10.7270/Q2X63K6X
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM13558
PNG
(2-[(4-carbamimidoylphenyl)amino]-2-(3,5-diethoxyph...)
Show SMILES CCOc1cc(OCC)cc(c1)C(Nc1ccc(cc1)C(N)=N)C(O)=O
Show InChI InChI=1S/C19H23N3O4/c1-3-25-15-9-13(10-16(11-15)26-4-2)17(19(23)24)22-14-7-5-12(6-8-14)18(20)21/h5-11,17,22H,3-4H2,1-2H3,(H3,20,21)(H,23,24)
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5.60E+3n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.



Assay Description
The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...


Bioorg Med Chem Lett 15: 5344-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.079
BindingDB Entry DOI: 10.7270/Q2X63K6X
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM13555
PNG
((2S)-2-{2-[4-(benzyloxy)-5-methoxy-2-(2-phenylacet...)
Show SMILES COc1cc(C(Nc2ccc(cc2)C(N)=N)C(=O)N[C@H](C(O)=O)c2ccccc2)c(cc1OCc1ccccc1)C(=O)Cc1ccccc1
Show InChI InChI=1S/C39H36N4O6/c1-48-33-23-31(30(32(44)21-25-11-5-2-6-12-25)22-34(33)49-24-26-13-7-3-8-14-26)36(42-29-19-17-28(18-20-29)37(40)41)38(45)43-35(39(46)47)27-15-9-4-10-16-27/h2-20,22-23,35-36,42H,21,24H2,1H3,(H3,40,41)(H,43,45)(H,46,47)/t35-,36?/m0/s1
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6.40E+3n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.



Assay Description
The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...


Bioorg Med Chem Lett 15: 5344-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.079
BindingDB Entry DOI: 10.7270/Q2X63K6X
More data for this
Ligand-Target Pair
Trypsin


(Bos taurus (bovine))
BDBM13569
PNG
(2-[(4-carbamimidoylphenyl)amino]-2-{3-ethynyl-5-[(...)
Show SMILES NC(=N)c1ccc(NC(C(O)=O)c2cc(O[C@@H]3CCOC3)cc(c2)C#C)cc1
Show InChI InChI=1S/C21H21N3O4/c1-2-13-9-15(11-18(10-13)28-17-7-8-27-12-17)19(21(25)26)24-16-5-3-14(4-6-16)20(22)23/h1,3-6,9-11,17,19,24H,7-8,12H2,(H3,22,23)(H,25,26)/t17-,19?/m1/s1
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6.60E+3n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.



Assay Description
The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...


Bioorg Med Chem Lett 15: 5344-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.079
BindingDB Entry DOI: 10.7270/Q2X63K6X
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM13559
PNG
(2-[(4-carbamimidoylphenyl)amino]-2-[3-ethoxy-5-(ox...)
Show SMILES CCOc1cc(OC2CCOCC2)cc(c1)C(Nc1ccc(cc1)C(N)=N)C(O)=O
Show InChI InChI=1S/C22H27N3O5/c1-2-29-18-11-15(12-19(13-18)30-17-7-9-28-10-8-17)20(22(26)27)25-16-5-3-14(4-6-16)21(23)24/h3-6,11-13,17,20,25H,2,7-10H2,1H3,(H3,23,24)(H,26,27)
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>6.60E+3n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.



Assay Description
The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...


Bioorg Med Chem Lett 15: 5344-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.079
BindingDB Entry DOI: 10.7270/Q2X63K6X
More data for this
Ligand-Target Pair
Trypsin


(Bos taurus (bovine))
BDBM13559
PNG
(2-[(4-carbamimidoylphenyl)amino]-2-[3-ethoxy-5-(ox...)
Show SMILES CCOc1cc(OC2CCOCC2)cc(c1)C(Nc1ccc(cc1)C(N)=N)C(O)=O
Show InChI InChI=1S/C22H27N3O5/c1-2-29-18-11-15(12-19(13-18)30-17-7-9-28-10-8-17)20(22(26)27)25-16-5-3-14(4-6-16)21(23)24/h3-6,11-13,17,20,25H,2,7-10H2,1H3,(H3,23,24)(H,26,27)
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7.00E+3n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.



Assay Description
The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...


Bioorg Med Chem Lett 15: 5344-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.079
BindingDB Entry DOI: 10.7270/Q2X63K6X
More data for this
Ligand-Target Pair
Trypsin


(Bos taurus (bovine))
BDBM13566
PNG
(2-[(4-carbamimidoylphenyl)amino]-2-{3-ethoxy-5-[(3...)
Show SMILES CCOc1cc(O[C@H]2CCOC2)cc(c1)C(Nc1ccc(cc1)C(N)=N)C(O)=O
Show InChI InChI=1S/C21H25N3O5/c1-2-28-17-9-14(10-18(11-17)29-16-7-8-27-12-16)19(21(25)26)24-15-5-3-13(4-6-15)20(22)23/h3-6,9-11,16,19,24H,2,7-8,12H2,1H3,(H3,22,23)(H,25,26)/t16-,19?/m0/s1
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7.30E+3n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.



Assay Description
The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...


Bioorg Med Chem Lett 15: 5344-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.079
BindingDB Entry DOI: 10.7270/Q2X63K6X
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM13571
PNG
(2-[(4-carbamimidoylphenyl)amino]-2-(3-ethoxy-5-phe...)
Show SMILES CCOc1cc(cc(c1)-c1ccccc1)C(Nc1ccc(cc1)C(N)=N)C(O)=O
Show InChI InChI=1S/C23H23N3O3/c1-2-29-20-13-17(15-6-4-3-5-7-15)12-18(14-20)21(23(27)28)26-19-10-8-16(9-11-19)22(24)25/h3-14,21,26H,2H2,1H3,(H3,24,25)(H,27,28)
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7.30E+3n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.



Assay Description
The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...


Bioorg Med Chem Lett 15: 5344-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.079
BindingDB Entry DOI: 10.7270/Q2X63K6X
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM13560
PNG
(2-[(4-carbamimidoylphenyl)amino]-2-[3-ethyl-5-(oxa...)
Show SMILES CCc1cc(OC2CCOCC2)cc(c1)C(Nc1ccc(cc1)C(N)=N)C(O)=O
Show InChI InChI=1S/C22H27N3O4/c1-2-14-11-16(13-19(12-14)29-18-7-9-28-10-8-18)20(22(26)27)25-17-5-3-15(4-6-17)21(23)24/h3-6,11-13,18,20,25H,2,7-10H2,1H3,(H3,23,24)(H,26,27)
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>7.50E+3n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.



Assay Description
The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...


Bioorg Med Chem Lett 15: 5344-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.079
BindingDB Entry DOI: 10.7270/Q2X63K6X
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM13552
PNG
((2S)-2-[(2R)-2-[4-(benzyloxy)-3-methoxyphenyl]-2-[...)
Show SMILES COc1cc(ccc1OCc1ccccc1)[C@@H](Nc1ccc(cc1)C(N)=N)C(=O)N[C@H](C(O)=O)c1ccccc1
Show InChI InChI=1S/C31H30N4O5/c1-39-26-18-23(14-17-25(26)40-19-20-8-4-2-5-9-20)27(34-24-15-12-22(13-16-24)29(32)33)30(36)35-28(31(37)38)21-10-6-3-7-11-21/h2-18,27-28,34H,19H2,1H3,(H3,32,33)(H,35,36)(H,37,38)/t27-,28+/m1/s1
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8.00E+3n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.



Assay Description
The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...


Bioorg Med Chem Lett 15: 5344-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.079
BindingDB Entry DOI: 10.7270/Q2X63K6X
More data for this
Ligand-Target Pair
Trypsin


(Bos taurus (bovine))
BDBM13572
PNG
(2-[(4-carbamimidoylphenyl)amino]-2-[3-ethoxy-5-(py...)
Show SMILES CCOc1cc(cc(c1)-c1cccnc1)C(Nc1ccc(cc1)C(N)=N)C(O)=O
Show InChI InChI=1S/C22H22N4O3/c1-2-29-19-11-16(15-4-3-9-25-13-15)10-17(12-19)20(22(27)28)26-18-7-5-14(6-8-18)21(23)24/h3-13,20,26H,2H2,1H3,(H3,23,24)(H,27,28)
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8.00E+3n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.



Assay Description
The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...


Bioorg Med Chem Lett 15: 5344-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.079
BindingDB Entry DOI: 10.7270/Q2X63K6X
More data for this
Ligand-Target Pair
Trypsin


(Bos taurus (bovine))
BDBM13565
PNG
(2-[(4-carbamimidoylphenyl)amino]-2-{3-ethoxy-5-[(1...)
Show SMILES CCOc1cc(OC2CCN(C)CC2)cc(c1)C(Nc1ccc(cc1)C(N)=N)C(O)=O
Show InChI InChI=1S/C23H30N4O4/c1-3-30-19-12-16(13-20(14-19)31-18-8-10-27(2)11-9-18)21(23(28)29)26-17-6-4-15(5-7-17)22(24)25/h4-7,12-14,18,21,26H,3,8-11H2,1-2H3,(H3,24,25)(H,28,29)
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8.60E+3n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.



Assay Description
The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...


Bioorg Med Chem Lett 15: 5344-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.079
BindingDB Entry DOI: 10.7270/Q2X63K6X
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM13566
PNG
(2-[(4-carbamimidoylphenyl)amino]-2-{3-ethoxy-5-[(3...)
Show SMILES CCOc1cc(O[C@H]2CCOC2)cc(c1)C(Nc1ccc(cc1)C(N)=N)C(O)=O
Show InChI InChI=1S/C21H25N3O5/c1-2-28-17-9-14(10-18(11-17)29-16-7-8-27-12-16)19(21(25)26)24-15-5-3-13(4-6-15)20(22)23/h3-6,9-11,16,19,24H,2,7-8,12H2,1H3,(H3,22,23)(H,25,26)/t16-,19?/m0/s1
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8.60E+3n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.



Assay Description
The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...


Bioorg Med Chem Lett 15: 5344-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.079
BindingDB Entry DOI: 10.7270/Q2X63K6X
More data for this
Ligand-Target Pair
Trypsin


(Bos taurus (bovine))
BDBM13561
PNG
(2-[(4-carbamimidoylphenyl)amino]-2-[3-ethenyl-5-(o...)
Show SMILES NC(=N)c1ccc(NC(C(O)=O)c2cc(OC3CCOCC3)cc(C=C)c2)cc1
Show InChI InChI=1S/C22H25N3O4/c1-2-14-11-16(13-19(12-14)29-18-7-9-28-10-8-18)20(22(26)27)25-17-5-3-15(4-6-17)21(23)24/h2-6,11-13,18,20,25H,1,7-10H2,(H3,23,24)(H,26,27)
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8.70E+3n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.



Assay Description
The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...


Bioorg Med Chem Lett 15: 5344-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.079
BindingDB Entry DOI: 10.7270/Q2X63K6X
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM13569
PNG
(2-[(4-carbamimidoylphenyl)amino]-2-{3-ethynyl-5-[(...)
Show SMILES NC(=N)c1ccc(NC(C(O)=O)c2cc(O[C@@H]3CCOC3)cc(c2)C#C)cc1
Show InChI InChI=1S/C21H21N3O4/c1-2-13-9-15(11-18(10-13)28-17-7-8-27-12-17)19(21(25)26)24-16-5-3-14(4-6-16)20(22)23/h1,3-6,9-11,17,19,24H,7-8,12H2,(H3,22,23)(H,25,26)/t17-,19?/m1/s1
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8.80E+3n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.



Assay Description
The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...


Bioorg Med Chem Lett 15: 5344-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.079
BindingDB Entry DOI: 10.7270/Q2X63K6X
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM13568
PNG
(2-[(4-carbamimidoylphenyl)amino]-2-{3-ethoxy-5-[(3...)
Show SMILES CCOc1cc(O[C@@H]2CCOC2)cc(c1)C(Nc1ccc(cc1)C(N)=N)C(O)=O
Show InChI InChI=1S/C21H25N3O5/c1-2-28-17-9-14(10-18(11-17)29-16-7-8-27-12-16)19(21(25)26)24-15-5-3-13(4-6-15)20(22)23/h3-6,9-11,16,19,24H,2,7-8,12H2,1H3,(H3,22,23)(H,25,26)/t16-,19?/m1/s1
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9.10E+3n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.



Assay Description
The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...


Bioorg Med Chem Lett 15: 5344-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.079
BindingDB Entry DOI: 10.7270/Q2X63K6X
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM13567
PNG
(2-[(4-carbamimidoylphenyl)amino]-2-{3-ethynyl-5-[(...)
Show SMILES NC(=N)c1ccc(NC(C(O)=O)c2cc(O[C@H]3CCOC3)cc(c2)C#C)cc1
Show InChI InChI=1S/C21H21N3O4/c1-2-13-9-15(11-18(10-13)28-17-7-8-27-12-17)19(21(25)26)24-16-5-3-14(4-6-16)20(22)23/h1,3-6,9-11,17,19,24H,7-8,12H2,(H3,22,23)(H,25,26)/t17-,19?/m0/s1
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9.50E+3n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.



Assay Description
The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...


Bioorg Med Chem Lett 15: 5344-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.079
BindingDB Entry DOI: 10.7270/Q2X63K6X
More data for this
Ligand-Target Pair
Trypsin


(Bos taurus (bovine))
BDBM13568
PNG
(2-[(4-carbamimidoylphenyl)amino]-2-{3-ethoxy-5-[(3...)
Show SMILES CCOc1cc(O[C@@H]2CCOC2)cc(c1)C(Nc1ccc(cc1)C(N)=N)C(O)=O
Show InChI InChI=1S/C21H25N3O5/c1-2-28-17-9-14(10-18(11-17)29-16-7-8-27-12-16)19(21(25)26)24-15-5-3-13(4-6-15)20(22)23/h3-6,9-11,16,19,24H,2,7-8,12H2,1H3,(H3,22,23)(H,25,26)/t16-,19?/m1/s1
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9.90E+3n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.



Assay Description
The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...


Bioorg Med Chem Lett 15: 5344-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.079
BindingDB Entry DOI: 10.7270/Q2X63K6X
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM13565
PNG
(2-[(4-carbamimidoylphenyl)amino]-2-{3-ethoxy-5-[(1...)
Show SMILES CCOc1cc(OC2CCN(C)CC2)cc(c1)C(Nc1ccc(cc1)C(N)=N)C(O)=O
Show InChI InChI=1S/C23H30N4O4/c1-3-30-19-12-16(13-20(14-19)31-18-8-10-27(2)11-9-18)21(23(28)29)26-17-6-4-15(5-7-17)22(24)25/h4-7,12-14,18,21,26H,3,8-11H2,1-2H3,(H3,24,25)(H,28,29)
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9.90E+3n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.



Assay Description
The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...


Bioorg Med Chem Lett 15: 5344-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.079
BindingDB Entry DOI: 10.7270/Q2X63K6X
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM13572
PNG
(2-[(4-carbamimidoylphenyl)amino]-2-[3-ethoxy-5-(py...)
Show SMILES CCOc1cc(cc(c1)-c1cccnc1)C(Nc1ccc(cc1)C(N)=N)C(O)=O
Show InChI InChI=1S/C22H22N4O3/c1-2-29-19-11-16(15-4-3-9-25-13-15)10-17(12-19)20(22(27)28)26-18-7-5-14(6-8-18)21(23)24/h3-13,20,26H,2H2,1H3,(H3,23,24)(H,27,28)
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1.02E+4n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.



Assay Description
The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...


Bioorg Med Chem Lett 15: 5344-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.079
BindingDB Entry DOI: 10.7270/Q2X63K6X
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM13568
PNG
(2-[(4-carbamimidoylphenyl)amino]-2-{3-ethoxy-5-[(3...)
Show SMILES CCOc1cc(O[C@@H]2CCOC2)cc(c1)C(Nc1ccc(cc1)C(N)=N)C(O)=O
Show InChI InChI=1S/C21H25N3O5/c1-2-28-17-9-14(10-18(11-17)29-16-7-8-27-12-16)19(21(25)26)24-15-5-3-13(4-6-15)20(22)23/h3-6,9-11,16,19,24H,2,7-8,12H2,1H3,(H3,22,23)(H,25,26)/t16-,19?/m1/s1
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1.13E+4n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.



Assay Description
The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...


Bioorg Med Chem Lett 15: 5344-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.079
BindingDB Entry DOI: 10.7270/Q2X63K6X
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM13563
PNG
(2-[(4-carbamimidoylphenyl)amino]-2-{3-ethoxy-5-[(4...)
Show SMILES CCOc1cc(O[C@H]2CC[C@H](O)CC2)cc(c1)C(Nc1ccc(cc1)C(N)=N)C(O)=O
Show InChI InChI=1S/C23H29N3O5/c1-2-30-19-11-15(12-20(13-19)31-18-9-7-17(27)8-10-18)21(23(28)29)26-16-5-3-14(4-6-16)22(24)25/h3-6,11-13,17-18,21,26-27H,2,7-10H2,1H3,(H3,24,25)(H,28,29)/t17-,18-,21?
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1.22E+4n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.



Assay Description
The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...


Bioorg Med Chem Lett 15: 5344-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.079
BindingDB Entry DOI: 10.7270/Q2X63K6X
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM13554
PNG
((2S)-2-{2-[2-(benzenesulfonyl)-4-(benzyloxy)-5-met...)
Show SMILES COc1cc(C(Nc2ccc(cc2)C(N)=N)C(=O)N[C@H](C(O)=O)c2ccccc2)c(cc1OCc1ccccc1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C37H34N4O7S/c1-47-30-21-29(32(49(45,46)28-15-9-4-10-16-28)22-31(30)48-23-24-11-5-2-6-12-24)34(40-27-19-17-26(18-20-27)35(38)39)36(42)41-33(37(43)44)25-13-7-3-8-14-25/h2-22,33-34,40H,23H2,1H3,(H3,38,39)(H,41,42)(H,43,44)/t33-,34?/m0/s1
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1.24E+4n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.



Assay Description
The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...


Bioorg Med Chem Lett 15: 5344-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.079
BindingDB Entry DOI: 10.7270/Q2X63K6X
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM13561
PNG
(2-[(4-carbamimidoylphenyl)amino]-2-[3-ethenyl-5-(o...)
Show SMILES NC(=N)c1ccc(NC(C(O)=O)c2cc(OC3CCOCC3)cc(C=C)c2)cc1
Show InChI InChI=1S/C22H25N3O4/c1-2-14-11-16(13-19(12-14)29-18-7-9-28-10-8-18)20(22(26)27)25-17-5-3-15(4-6-17)21(23)24/h2-6,11-13,18,20,25H,1,7-10H2,(H3,23,24)(H,26,27)
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1.33E+4n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.



Assay Description
The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...


Bioorg Med Chem Lett 15: 5344-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.079
BindingDB Entry DOI: 10.7270/Q2X63K6X
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM13569
PNG
(2-[(4-carbamimidoylphenyl)amino]-2-{3-ethynyl-5-[(...)
Show SMILES NC(=N)c1ccc(NC(C(O)=O)c2cc(O[C@@H]3CCOC3)cc(c2)C#C)cc1
Show InChI InChI=1S/C21H21N3O4/c1-2-13-9-15(11-18(10-13)28-17-7-8-27-12-17)19(21(25)26)24-16-5-3-14(4-6-16)20(22)23/h1,3-6,9-11,17,19,24H,7-8,12H2,(H3,22,23)(H,25,26)/t17-,19?/m1/s1
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1.53E+4n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.



Assay Description
The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...


Bioorg Med Chem Lett 15: 5344-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.079
BindingDB Entry DOI: 10.7270/Q2X63K6X
More data for this
Ligand-Target Pair
Trypsin


(Bos taurus (bovine))
BDBM13558
PNG
(2-[(4-carbamimidoylphenyl)amino]-2-(3,5-diethoxyph...)
Show SMILES CCOc1cc(OCC)cc(c1)C(Nc1ccc(cc1)C(N)=N)C(O)=O
Show InChI InChI=1S/C19H23N3O4/c1-3-25-15-9-13(10-16(11-15)26-4-2)17(19(23)24)22-14-7-5-12(6-8-14)18(20)21/h5-11,17,22H,3-4H2,1-2H3,(H3,20,21)(H,23,24)
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1.69E+4n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.



Assay Description
The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...


Bioorg Med Chem Lett 15: 5344-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.079
BindingDB Entry DOI: 10.7270/Q2X63K6X
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM13555
PNG
((2S)-2-{2-[4-(benzyloxy)-5-methoxy-2-(2-phenylacet...)
Show SMILES COc1cc(C(Nc2ccc(cc2)C(N)=N)C(=O)N[C@H](C(O)=O)c2ccccc2)c(cc1OCc1ccccc1)C(=O)Cc1ccccc1
Show InChI InChI=1S/C39H36N4O6/c1-48-33-23-31(30(32(44)21-25-11-5-2-6-12-25)22-34(33)49-24-26-13-7-3-8-14-26)36(42-29-19-17-28(18-20-29)37(40)41)38(45)43-35(39(46)47)27-15-9-4-10-16-27/h2-20,22-23,35-36,42H,21,24H2,1H3,(H3,40,41)(H,43,45)(H,46,47)/t35-,36?/m0/s1
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1.90E+4n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.



Assay Description
The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...


Bioorg Med Chem Lett 15: 5344-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.079
BindingDB Entry DOI: 10.7270/Q2X63K6X
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM13558
PNG
(2-[(4-carbamimidoylphenyl)amino]-2-(3,5-diethoxyph...)
Show SMILES CCOc1cc(OCC)cc(c1)C(Nc1ccc(cc1)C(N)=N)C(O)=O
Show InChI InChI=1S/C19H23N3O4/c1-3-25-15-9-13(10-16(11-15)26-4-2)17(19(23)24)22-14-7-5-12(6-8-14)18(20)21/h5-11,17,22H,3-4H2,1-2H3,(H3,20,21)(H,23,24)
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>3.50E+4n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.



Assay Description
The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...


Bioorg Med Chem Lett 15: 5344-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.079
BindingDB Entry DOI: 10.7270/Q2X63K6X
More data for this
Ligand-Target Pair
Trypsin


(Bos taurus (bovine))
BDBM13571
PNG
(2-[(4-carbamimidoylphenyl)amino]-2-(3-ethoxy-5-phe...)
Show SMILES CCOc1cc(cc(c1)-c1ccccc1)C(Nc1ccc(cc1)C(N)=N)C(O)=O
Show InChI InChI=1S/C23H23N3O3/c1-2-29-20-13-17(15-6-4-3-5-7-15)12-18(14-20)21(23(27)28)26-19-10-8-16(9-11-19)22(24)25/h3-14,21,26H,2H2,1H3,(H3,24,25)(H,27,28)
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>6.80E+4n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.



Assay Description
The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...


Bioorg Med Chem Lett 15: 5344-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.079
BindingDB Entry DOI: 10.7270/Q2X63K6X
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%