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PubMed code 15664864

Compile data set for download or QSAR
Found 44 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: 817-22 (2005)


Article DOI: 10.1016/j.bmcl.2004.10.092
BindingDB Entry DOI: 10.7270/Q2SF2TFR
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: 817-22 (2005)


Article DOI: 10.1016/j.bmcl.2004.10.092
BindingDB Entry DOI: 10.7270/Q2SF2TFR
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: 817-22 (2005)


Article DOI: 10.1016/j.bmcl.2004.10.092
BindingDB Entry DOI: 10.7270/Q2SF2TFR
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: 817-22 (2005)


Article DOI: 10.1016/j.bmcl.2004.10.092
BindingDB Entry DOI: 10.7270/Q2SF2TFR
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (human))
BDBM13576
PNG
(N-benzyl-2-[(4-carbamimidoylphenyl)amino]-2-(3,4-d...)
Show SMILES CCOc1ccc(cc1OCC)C(Nc1ccc(cc1)C(N)=N)C(=O)NCc1ccccc1
Show InChI InChI=1S/C26H30N4O3/c1-3-32-22-15-12-20(16-23(22)33-4-2)24(26(31)29-17-18-8-6-5-7-9-18)30-21-13-10-19(11-14-21)25(27)28/h5-16,24,30H,3-4,17H2,1-2H3,(H3,27,28)(H,29,31)
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40 -41.8n/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: 817-22 (2005)


Article DOI: 10.1016/j.bmcl.2004.10.092
BindingDB Entry DOI: 10.7270/Q2SF2TFR
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: 817-22 (2005)


Article DOI: 10.1016/j.bmcl.2004.10.092
BindingDB Entry DOI: 10.7270/Q2SF2TFR
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM13577
PNG
(N-benzyl-2-[4-(benzyloxy)-3-methoxyphenyl]-2-[(4-c...)
Show SMILES COc1cc(ccc1OCc1ccccc1)C(Nc1ccc(cc1)C(N)=N)C(=O)NCc1ccccc1
Show InChI InChI=1S/C30H30N4O3/c1-36-27-18-24(14-17-26(27)37-20-22-10-6-3-7-11-22)28(30(35)33-19-21-8-4-2-5-9-21)34-25-15-12-23(13-16-25)29(31)32/h2-18,28,34H,19-20H2,1H3,(H3,31,32)(H,33,35)
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43 -41.6n/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: 817-22 (2005)


Article DOI: 10.1016/j.bmcl.2004.10.092
BindingDB Entry DOI: 10.7270/Q2SF2TFR
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM13578
PNG
(N-benzyl-2-[4-(benzyloxy)-3-ethoxyphenyl]-2-[(4-ca...)
Show SMILES CCOc1cc(ccc1OCc1ccccc1)C(Nc1ccc(cc1)C(N)=N)C(=O)NCc1ccccc1
Show InChI InChI=1S/C31H32N4O3/c1-2-37-28-19-25(15-18-27(28)38-21-23-11-7-4-8-12-23)29(31(36)34-20-22-9-5-3-6-10-22)35-26-16-13-24(14-17-26)30(32)33/h3-19,29,35H,2,20-21H2,1H3,(H3,32,33)(H,34,36)
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48 -41.4n/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: 817-22 (2005)


Article DOI: 10.1016/j.bmcl.2004.10.092
BindingDB Entry DOI: 10.7270/Q2SF2TFR
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: 817-22 (2005)


Article DOI: 10.1016/j.bmcl.2004.10.092
BindingDB Entry DOI: 10.7270/Q2SF2TFR
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: 817-22 (2005)


Article DOI: 10.1016/j.bmcl.2004.10.092
BindingDB Entry DOI: 10.7270/Q2SF2TFR
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (human))
BDBM13578
PNG
(N-benzyl-2-[4-(benzyloxy)-3-ethoxyphenyl]-2-[(4-ca...)
Show SMILES CCOc1cc(ccc1OCc1ccccc1)C(Nc1ccc(cc1)C(N)=N)C(=O)NCc1ccccc1
Show InChI InChI=1S/C31H32N4O3/c1-2-37-28-19-25(15-18-27(28)38-21-23-11-7-4-8-12-23)29(31(36)34-20-22-9-5-3-6-10-22)35-26-16-13-24(14-17-26)30(32)33/h3-19,29,35H,2,20-21H2,1H3,(H3,32,33)(H,34,36)
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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: 817-22 (2005)


Article DOI: 10.1016/j.bmcl.2004.10.092
BindingDB Entry DOI: 10.7270/Q2SF2TFR
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (human))
BDBM13582
PNG
(2-[2-(benzenesulfonyl)-4-(benzyloxy)-5-methoxyphen...)
Show SMILES COc1cc(C(Nc2ccc(cc2)C(N)=N)C(=O)NCc2ccccc2)c(cc1OCc1ccccc1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C36H34N4O5S/c1-44-31-21-30(33(46(42,43)29-15-9-4-10-16-29)22-32(31)45-24-26-13-7-3-8-14-26)34(36(41)39-23-25-11-5-2-6-12-25)40-28-19-17-27(18-20-28)35(37)38/h2-22,34,40H,23-24H2,1H3,(H3,37,38)(H,39,41)
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160 -38.4n/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: 817-22 (2005)


Article DOI: 10.1016/j.bmcl.2004.10.092
BindingDB Entry DOI: 10.7270/Q2SF2TFR
More data for this
Ligand-Target Pair
Trypsin


(Bos taurus (bovine))
BDBM13577
PNG
(N-benzyl-2-[4-(benzyloxy)-3-methoxyphenyl]-2-[(4-c...)
Show SMILES COc1cc(ccc1OCc1ccccc1)C(Nc1ccc(cc1)C(N)=N)C(=O)NCc1ccccc1
Show InChI InChI=1S/C30H30N4O3/c1-36-27-18-24(14-17-26(27)37-20-22-10-6-3-7-11-22)28(30(35)33-19-21-8-4-2-5-9-21)34-25-15-12-23(13-16-25)29(31)32/h2-18,28,34H,19-20H2,1H3,(H3,31,32)(H,33,35)
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210n/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: 817-22 (2005)


Article DOI: 10.1016/j.bmcl.2004.10.092
BindingDB Entry DOI: 10.7270/Q2SF2TFR
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (human))
BDBM13577
PNG
(N-benzyl-2-[4-(benzyloxy)-3-methoxyphenyl]-2-[(4-c...)
Show SMILES COc1cc(ccc1OCc1ccccc1)C(Nc1ccc(cc1)C(N)=N)C(=O)NCc1ccccc1
Show InChI InChI=1S/C30H30N4O3/c1-36-27-18-24(14-17-26(27)37-20-22-10-6-3-7-11-22)28(30(35)33-19-21-8-4-2-5-9-21)34-25-15-12-23(13-16-25)29(31)32/h2-18,28,34H,19-20H2,1H3,(H3,31,32)(H,33,35)
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220 -37.6n/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: 817-22 (2005)


Article DOI: 10.1016/j.bmcl.2004.10.092
BindingDB Entry DOI: 10.7270/Q2SF2TFR
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM13580
PNG
(4-({[4-(benzyloxy)-3-methoxyphenyl]methyl}amino)be...)
Show SMILES COc1cc(CNc2ccc(cc2)C(N)=N)ccc1OCc1ccccc1
Show InChI InChI=1S/C22H23N3O2/c1-26-21-13-17(14-25-19-10-8-18(9-11-19)22(23)24)7-12-20(21)27-15-16-5-3-2-4-6-16/h2-13,25H,14-15H2,1H3,(H3,23,24)
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270n/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: 817-22 (2005)


Article DOI: 10.1016/j.bmcl.2004.10.092
BindingDB Entry DOI: 10.7270/Q2SF2TFR
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (human))
BDBM13575
PNG
(N-benzyl-2-[(4-carbamimidoylphenyl)amino]-2-(3,4-d...)
Show SMILES COc1ccc(cc1OC)C(Nc1ccc(cc1)C(N)=N)C(=O)NCc1ccccc1
Show InChI InChI=1S/C24H26N4O3/c1-30-20-13-10-18(14-21(20)31-2)22(24(29)27-15-16-6-4-3-5-7-16)28-19-11-8-17(9-12-19)23(25)26/h3-14,22,28H,15H2,1-2H3,(H3,25,26)(H,27,29)
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350 -36.5n/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: 817-22 (2005)


Article DOI: 10.1016/j.bmcl.2004.10.092
BindingDB Entry DOI: 10.7270/Q2SF2TFR
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Coagulation factor VII


(Homo sapiens (human))
BDBM13581
PNG
(4-({[4-(benzyloxy)-2-methanesulfonamido-5-methoxyp...)
Show SMILES COc1cc(CNc2ccc(cc2)C(N)=N)c(NS(C)(=O)=O)cc1OCc1ccccc1
Show InChI InChI=1S/C23H26N4O4S/c1-30-21-12-18(14-26-19-10-8-17(9-11-19)23(24)25)20(27-32(2,28)29)13-22(21)31-15-16-6-4-3-5-7-16/h3-13,26-27H,14-15H2,1-2H3,(H3,24,25)
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380 -36.3n/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: 817-22 (2005)


Article DOI: 10.1016/j.bmcl.2004.10.092
BindingDB Entry DOI: 10.7270/Q2SF2TFR
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Trypsin


(Bos taurus (bovine))
BDBM13581
PNG
(4-({[4-(benzyloxy)-2-methanesulfonamido-5-methoxyp...)
Show SMILES COc1cc(CNc2ccc(cc2)C(N)=N)c(NS(C)(=O)=O)cc1OCc1ccccc1
Show InChI InChI=1S/C23H26N4O4S/c1-30-21-12-18(14-26-19-10-8-17(9-11-19)23(24)25)20(27-32(2,28)29)13-22(21)31-15-16-6-4-3-5-7-16/h3-13,26-27H,14-15H2,1-2H3,(H3,24,25)
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400n/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: 817-22 (2005)


Article DOI: 10.1016/j.bmcl.2004.10.092
BindingDB Entry DOI: 10.7270/Q2SF2TFR
More data for this
Ligand-Target Pair
Trypsin


(Bos taurus (bovine))
BDBM13582
PNG
(2-[2-(benzenesulfonyl)-4-(benzyloxy)-5-methoxyphen...)
Show SMILES COc1cc(C(Nc2ccc(cc2)C(N)=N)C(=O)NCc2ccccc2)c(cc1OCc1ccccc1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C36H34N4O5S/c1-44-31-21-30(33(46(42,43)29-15-9-4-10-16-29)22-32(31)45-24-26-13-7-3-8-14-26)34(36(41)39-23-25-11-5-2-6-12-25)40-28-19-17-27(18-20-28)35(37)38/h2-22,34,40H,23-24H2,1H3,(H3,37,38)(H,39,41)
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420n/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: 817-22 (2005)


Article DOI: 10.1016/j.bmcl.2004.10.092
BindingDB Entry DOI: 10.7270/Q2SF2TFR
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM13575
PNG
(N-benzyl-2-[(4-carbamimidoylphenyl)amino]-2-(3,4-d...)
Show SMILES COc1ccc(cc1OC)C(Nc1ccc(cc1)C(N)=N)C(=O)NCc1ccccc1
Show InChI InChI=1S/C24H26N4O3/c1-30-20-13-10-18(14-21(20)31-2)22(24(29)27-15-16-6-4-3-5-7-16)28-19-11-8-17(9-12-19)23(25)26/h3-14,22,28H,15H2,1-2H3,(H3,25,26)(H,27,29)
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460 -35.8n/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: 817-22 (2005)


Article DOI: 10.1016/j.bmcl.2004.10.092
BindingDB Entry DOI: 10.7270/Q2SF2TFR
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: 817-22 (2005)


Article DOI: 10.1016/j.bmcl.2004.10.092
BindingDB Entry DOI: 10.7270/Q2SF2TFR
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM13576
PNG
(N-benzyl-2-[(4-carbamimidoylphenyl)amino]-2-(3,4-d...)
Show SMILES CCOc1ccc(cc1OCC)C(Nc1ccc(cc1)C(N)=N)C(=O)NCc1ccccc1
Show InChI InChI=1S/C26H30N4O3/c1-3-32-22-15-12-20(16-23(22)33-4-2)24(26(31)29-17-18-8-6-5-7-9-18)30-21-13-10-19(11-14-21)25(27)28/h5-16,24,30H,3-4,17H2,1-2H3,(H3,27,28)(H,29,31)
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570 -35.3n/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: 817-22 (2005)


Article DOI: 10.1016/j.bmcl.2004.10.092
BindingDB Entry DOI: 10.7270/Q2SF2TFR
More data for this
Ligand-Target Pair
Trypsin


(Bos taurus (bovine))
BDBM13580
PNG
(4-({[4-(benzyloxy)-3-methoxyphenyl]methyl}amino)be...)
Show SMILES COc1cc(CNc2ccc(cc2)C(N)=N)ccc1OCc1ccccc1
Show InChI InChI=1S/C22H23N3O2/c1-26-21-13-17(14-25-19-10-8-18(9-11-19)22(23)24)7-12-20(21)27-15-16-5-3-2-4-6-16/h2-13,25H,14-15H2,1H3,(H3,23,24)
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580n/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: 817-22 (2005)


Article DOI: 10.1016/j.bmcl.2004.10.092
BindingDB Entry DOI: 10.7270/Q2SF2TFR
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (human))
BDBM13580
PNG
(4-({[4-(benzyloxy)-3-methoxyphenyl]methyl}amino)be...)
Show SMILES COc1cc(CNc2ccc(cc2)C(N)=N)ccc1OCc1ccccc1
Show InChI InChI=1S/C22H23N3O2/c1-26-21-13-17(14-25-19-10-8-18(9-11-19)22(23)24)7-12-20(21)27-15-16-5-3-2-4-6-16/h2-13,25H,14-15H2,1H3,(H3,23,24)
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1.00E+3 -33.9n/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: 817-22 (2005)


Article DOI: 10.1016/j.bmcl.2004.10.092
BindingDB Entry DOI: 10.7270/Q2SF2TFR
More data for this
Ligand-Target Pair
Trypsin


(Bos taurus (bovine))
BDBM13578
PNG
(N-benzyl-2-[4-(benzyloxy)-3-ethoxyphenyl]-2-[(4-ca...)
Show SMILES CCOc1cc(ccc1OCc1ccccc1)C(Nc1ccc(cc1)C(N)=N)C(=O)NCc1ccccc1
Show InChI InChI=1S/C31H32N4O3/c1-2-37-28-19-25(15-18-27(28)38-21-23-11-7-4-8-12-23)29(31(36)34-20-22-9-5-3-6-10-22)35-26-16-13-24(14-17-26)30(32)33/h3-19,29,35H,2,20-21H2,1H3,(H3,32,33)(H,34,36)
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1.10E+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: 817-22 (2005)


Article DOI: 10.1016/j.bmcl.2004.10.092
BindingDB Entry DOI: 10.7270/Q2SF2TFR
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM13580
PNG
(4-({[4-(benzyloxy)-3-methoxyphenyl]methyl}amino)be...)
Show SMILES COc1cc(CNc2ccc(cc2)C(N)=N)ccc1OCc1ccccc1
Show InChI InChI=1S/C22H23N3O2/c1-26-21-13-17(14-25-19-10-8-18(9-11-19)22(23)24)7-12-20(21)27-15-16-5-3-2-4-6-16/h2-13,25H,14-15H2,1H3,(H3,23,24)
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1.20E+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: 817-22 (2005)


Article DOI: 10.1016/j.bmcl.2004.10.092
BindingDB Entry DOI: 10.7270/Q2SF2TFR
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM13581
PNG
(4-({[4-(benzyloxy)-2-methanesulfonamido-5-methoxyp...)
Show SMILES COc1cc(CNc2ccc(cc2)C(N)=N)c(NS(C)(=O)=O)cc1OCc1ccccc1
Show InChI InChI=1S/C23H26N4O4S/c1-30-21-12-18(14-26-19-10-8-17(9-11-19)23(24)25)20(27-32(2,28)29)13-22(21)31-15-16-6-4-3-5-7-16/h3-13,26-27H,14-15H2,1-2H3,(H3,24,25)
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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: 817-22 (2005)


Article DOI: 10.1016/j.bmcl.2004.10.092
BindingDB Entry DOI: 10.7270/Q2SF2TFR
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM13582
PNG
(2-[2-(benzenesulfonyl)-4-(benzyloxy)-5-methoxyphen...)
Show SMILES COc1cc(C(Nc2ccc(cc2)C(N)=N)C(=O)NCc2ccccc2)c(cc1OCc1ccccc1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C36H34N4O5S/c1-44-31-21-30(33(46(42,43)29-15-9-4-10-16-29)22-32(31)45-24-26-13-7-3-8-14-26)34(36(41)39-23-25-11-5-2-6-12-25)40-28-19-17-27(18-20-28)35(37)38/h2-22,34,40H,23-24H2,1H3,(H3,37,38)(H,39,41)
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1.70E+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: 817-22 (2005)


Article DOI: 10.1016/j.bmcl.2004.10.092
BindingDB Entry DOI: 10.7270/Q2SF2TFR
More data for this
Ligand-Target Pair
Trypsin


(Bos taurus (bovine))
BDBM13575
PNG
(N-benzyl-2-[(4-carbamimidoylphenyl)amino]-2-(3,4-d...)
Show SMILES COc1ccc(cc1OC)C(Nc1ccc(cc1)C(N)=N)C(=O)NCc1ccccc1
Show InChI InChI=1S/C24H26N4O3/c1-30-20-13-10-18(14-21(20)31-2)22(24(29)27-15-16-6-4-3-5-7-16)28-19-11-8-17(9-12-19)23(25)26/h3-14,22,28H,15H2,1-2H3,(H3,25,26)(H,27,29)
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1.70E+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: 817-22 (2005)


Article DOI: 10.1016/j.bmcl.2004.10.092
BindingDB Entry DOI: 10.7270/Q2SF2TFR
More data for this
Ligand-Target Pair
Trypsin


(Bos taurus (bovine))
BDBM13579
PNG
(4-{[(3,4-diethoxyphenyl)methyl]amino}benzene-1-car...)
Show SMILES CCOc1ccc(CNc2ccc(cc2)C(N)=N)cc1OCC
Show InChI InChI=1S/C18H23N3O2/c1-3-22-16-10-5-13(11-17(16)23-4-2)12-21-15-8-6-14(7-9-15)18(19)20/h5-11,21H,3-4,12H2,1-2H3,(H3,19,20)
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2.00E+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: 817-22 (2005)


Article DOI: 10.1016/j.bmcl.2004.10.092
BindingDB Entry DOI: 10.7270/Q2SF2TFR
More data for this
Ligand-Target Pair
Trypsin


(Bos taurus (bovine))
BDBM13576
PNG
(N-benzyl-2-[(4-carbamimidoylphenyl)amino]-2-(3,4-d...)
Show SMILES CCOc1ccc(cc1OCC)C(Nc1ccc(cc1)C(N)=N)C(=O)NCc1ccccc1
Show InChI InChI=1S/C26H30N4O3/c1-3-32-22-15-12-20(16-23(22)33-4-2)24(26(31)29-17-18-8-6-5-7-9-18)30-21-13-10-19(11-14-21)25(27)28/h5-16,24,30H,3-4,17H2,1-2H3,(H3,27,28)(H,29,31)
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2.00E+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: 817-22 (2005)


Article DOI: 10.1016/j.bmcl.2004.10.092
BindingDB Entry DOI: 10.7270/Q2SF2TFR
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (human))
BDBM13579
PNG
(4-{[(3,4-diethoxyphenyl)methyl]amino}benzene-1-car...)
Show SMILES CCOc1ccc(CNc2ccc(cc2)C(N)=N)cc1OCC
Show InChI InChI=1S/C18H23N3O2/c1-3-22-16-10-5-13(11-17(16)23-4-2)12-21-15-8-6-14(7-9-15)18(19)20/h5-11,21H,3-4,12H2,1-2H3,(H3,19,20)
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4.20E+3 -30.4n/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: 817-22 (2005)


Article DOI: 10.1016/j.bmcl.2004.10.092
BindingDB Entry DOI: 10.7270/Q2SF2TFR
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM13579
PNG
(4-{[(3,4-diethoxyphenyl)methyl]amino}benzene-1-car...)
Show SMILES CCOc1ccc(CNc2ccc(cc2)C(N)=N)cc1OCC
Show InChI InChI=1S/C18H23N3O2/c1-3-22-16-10-5-13(11-17(16)23-4-2)12-21-15-8-6-14(7-9-15)18(19)20/h5-11,21H,3-4,12H2,1-2H3,(H3,19,20)
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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: 817-22 (2005)


Article DOI: 10.1016/j.bmcl.2004.10.092
BindingDB Entry DOI: 10.7270/Q2SF2TFR
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM13578
PNG
(N-benzyl-2-[4-(benzyloxy)-3-ethoxyphenyl]-2-[(4-ca...)
Show SMILES CCOc1cc(ccc1OCc1ccccc1)C(Nc1ccc(cc1)C(N)=N)C(=O)NCc1ccccc1
Show InChI InChI=1S/C31H32N4O3/c1-2-37-28-19-25(15-18-27(28)38-21-23-11-7-4-8-12-23)29(31(36)34-20-22-9-5-3-6-10-22)35-26-16-13-24(14-17-26)30(32)33/h3-19,29,35H,2,20-21H2,1H3,(H3,32,33)(H,34,36)
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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: 817-22 (2005)


Article DOI: 10.1016/j.bmcl.2004.10.092
BindingDB Entry DOI: 10.7270/Q2SF2TFR
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM13577
PNG
(N-benzyl-2-[4-(benzyloxy)-3-methoxyphenyl]-2-[(4-c...)
Show SMILES COc1cc(ccc1OCc1ccccc1)C(Nc1ccc(cc1)C(N)=N)C(=O)NCc1ccccc1
Show InChI InChI=1S/C30H30N4O3/c1-36-27-18-24(14-17-26(27)37-20-22-10-6-3-7-11-22)28(30(35)33-19-21-8-4-2-5-9-21)34-25-15-12-23(13-16-25)29(31)32/h2-18,28,34H,19-20H2,1H3,(H3,31,32)(H,33,35)
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5.30E+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: 817-22 (2005)


Article DOI: 10.1016/j.bmcl.2004.10.092
BindingDB Entry DOI: 10.7270/Q2SF2TFR
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: 817-22 (2005)


Article DOI: 10.1016/j.bmcl.2004.10.092
BindingDB Entry DOI: 10.7270/Q2SF2TFR
More data for this
Ligand-Target Pair
Coagulation factor X


(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: 817-22 (2005)


Article DOI: 10.1016/j.bmcl.2004.10.092
BindingDB Entry DOI: 10.7270/Q2SF2TFR
More data for this
Ligand-Target Pair
Coagulation factor X


(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: 817-22 (2005)


Article DOI: 10.1016/j.bmcl.2004.10.092
BindingDB Entry DOI: 10.7270/Q2SF2TFR
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM13576
PNG
(N-benzyl-2-[(4-carbamimidoylphenyl)amino]-2-(3,4-d...)
Show SMILES CCOc1ccc(cc1OCC)C(Nc1ccc(cc1)C(N)=N)C(=O)NCc1ccccc1
Show InChI InChI=1S/C26H30N4O3/c1-3-32-22-15-12-20(16-23(22)33-4-2)24(26(31)29-17-18-8-6-5-7-9-18)30-21-13-10-19(11-14-21)25(27)28/h5-16,24,30H,3-4,17H2,1-2H3,(H3,27,28)(H,29,31)
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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: 817-22 (2005)


Article DOI: 10.1016/j.bmcl.2004.10.092
BindingDB Entry DOI: 10.7270/Q2SF2TFR
More data for this
Ligand-Target Pair
Coagulation factor X


(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: 817-22 (2005)


Article DOI: 10.1016/j.bmcl.2004.10.092
BindingDB Entry DOI: 10.7270/Q2SF2TFR
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM13581
PNG
(4-({[4-(benzyloxy)-2-methanesulfonamido-5-methoxyp...)
Show SMILES COc1cc(CNc2ccc(cc2)C(N)=N)c(NS(C)(=O)=O)cc1OCc1ccccc1
Show InChI InChI=1S/C23H26N4O4S/c1-30-21-12-18(14-26-19-10-8-17(9-11-19)23(24)25)20(27-32(2,28)29)13-22(21)31-15-16-6-4-3-5-7-16/h3-13,26-27H,14-15H2,1-2H3,(H3,24,25)
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2.60E+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: 817-22 (2005)


Article DOI: 10.1016/j.bmcl.2004.10.092
BindingDB Entry DOI: 10.7270/Q2SF2TFR
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM13575
PNG
(N-benzyl-2-[(4-carbamimidoylphenyl)amino]-2-(3,4-d...)
Show SMILES COc1ccc(cc1OC)C(Nc1ccc(cc1)C(N)=N)C(=O)NCc1ccccc1
Show InChI InChI=1S/C24H26N4O3/c1-30-20-13-10-18(14-21(20)31-2)22(24(29)27-15-16-6-4-3-5-7-16)28-19-11-8-17(9-12-19)23(25)26/h3-14,22,28H,15H2,1-2H3,(H3,25,26)(H,27,29)
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3.00E+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: 817-22 (2005)


Article DOI: 10.1016/j.bmcl.2004.10.092
BindingDB Entry DOI: 10.7270/Q2SF2TFR
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM13579
PNG
(4-{[(3,4-diethoxyphenyl)methyl]amino}benzene-1-car...)
Show SMILES CCOc1ccc(CNc2ccc(cc2)C(N)=N)cc1OCC
Show InChI InChI=1S/C18H23N3O2/c1-3-22-16-10-5-13(11-17(16)23-4-2)12-21-15-8-6-14(7-9-15)18(19)20/h5-11,21H,3-4,12H2,1-2H3,(H3,19,20)
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3.90E+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: 817-22 (2005)


Article DOI: 10.1016/j.bmcl.2004.10.092
BindingDB Entry DOI: 10.7270/Q2SF2TFR
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM13582
PNG
(2-[2-(benzenesulfonyl)-4-(benzyloxy)-5-methoxyphen...)
Show SMILES COc1cc(C(Nc2ccc(cc2)C(N)=N)C(=O)NCc2ccccc2)c(cc1OCc1ccccc1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C36H34N4O5S/c1-44-31-21-30(33(46(42,43)29-15-9-4-10-16-29)22-32(31)45-24-26-13-7-3-8-14-26)34(36(41)39-23-25-11-5-2-6-12-25)40-28-19-17-27(18-20-28)35(37)38/h2-22,34,40H,23-24H2,1H3,(H3,37,38)(H,39,41)
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>7.40E+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: 817-22 (2005)


Article DOI: 10.1016/j.bmcl.2004.10.092
BindingDB Entry DOI: 10.7270/Q2SF2TFR
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%