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Compile Data Set for Download or QSAR

Found 66 hits of Enz. Inhib. data with enzyme = 'Coagulation factor VII' and Substrate = 'BDBM13553'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Coagulation factor VII


(Homo sapiens (human))
BDBM14714
PNG
((2R)-N-[(3-aminobenzene)sulfonyl]-2-[(4-carbamimid...)
Show SMILES CCOc1cc(OCC)c(F)c(c1)[C@@H](Nc1ccc(C(N)=N)c(O)c1)C(=O)NS(=O)(=O)c1cccc(N)c1
Show InChI InChI=1S/C25H28FN5O6S/c1-3-36-16-12-19(22(26)21(13-16)37-4-2)23(30-15-8-9-18(24(28)29)20(32)11-15)25(33)31-38(34,35)17-7-5-6-14(27)10-17/h5-13,23,30,32H,3-4,27H2,1-2H3,(H3,28,29)(H,31,33)/t23-/m1/s1
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0.350 -12.8n/an/an/an/an/a7.822



Genentech



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...


J Biol Chem 280: 9160-9 (2005)


Article DOI: 10.1074/jbc.M409068200
BindingDB Entry DOI: 10.7270/Q2JM27W3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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 -11.7n/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))
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 -11.7n/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: 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 -11.3n/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
3D
3D Structure (crystal)
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 -11.3n/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)
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 -11.0n/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))
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 -11.0n/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: 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))
BDBM13592
PNG
(2-{2-[(4-carbamimidoylphenyl)carbamoyl]-6-methoxyp...)
Show SMILES COc1ccc(-c2ccc(cc2C(O)=O)C(=O)N[C@H](CO)C(C)(C)C)c(n1)C(=O)Nc1ccc(cc1)C(N)=N
Show InChI InChI=1S/C28H31N5O6/c1-28(2,3)21(14-34)32-25(35)16-7-10-18(20(13-16)27(37)38)19-11-12-22(39-4)33-23(19)26(36)31-17-8-5-15(6-9-17)24(29)30/h5-13,21,34H,14H2,1-4H3,(H3,29,30)(H,31,36)(H,32,35)(H,37,38)/t21-/m1/s1
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10 -10.8n/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 14: 5357-69 (2006)


Article DOI: 10.1016/j.bmc.2006.03.042
BindingDB Entry DOI: 10.7270/Q2NP22PZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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 -10.2n/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))
BDBM13591
PNG
((2R)-2-[(4-carbamimidoylphenyl)amino]-2-{5-ethoxy-...)
Show SMILES CCOc1cc(O[C@H]2CCOC2)c(F)c(c1)[C@@H](Nc1ccc(cc1)C(N)=N)C(O)=O
Show InChI InChI=1S/C21H24FN3O5/c1-2-29-15-9-16(18(22)17(10-15)30-14-7-8-28-11-14)19(21(26)27)25-13-5-3-12(4-6-13)20(23)24/h3-6,9-10,14,19,25H,2,7-8,11H2,1H3,(H3,23,24)(H,26,27)/t14-,19+/m0/s1
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35 -10.1n/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 14: 5357-69 (2006)


Article DOI: 10.1016/j.bmc.2006.03.042
BindingDB Entry DOI: 10.7270/Q2NP22PZ
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 -10.0n/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))
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 -9.98n/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))
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 -9.75n/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 -9.74n/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 -9.70n/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 -9.66n/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))
BDBM13590
PNG
((2R)-2-[(4-carbamimidoylphenyl)amino]-2-{5-ethoxy-...)
Show SMILES CCOc1cc(O[C@@H]2CCOC2)c(F)c(c1)[C@@H](Nc1ccc(cc1)C(N)=N)C(O)=O
Show InChI InChI=1S/C21H24FN3O5/c1-2-29-15-9-16(18(22)17(10-15)30-14-7-8-28-11-14)19(21(26)27)25-13-5-3-12(4-6-13)20(23)24/h3-6,9-10,14,19,25H,2,7-8,11H2,1H3,(H3,23,24)(H,26,27)/t14-,19-/m1/s1
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81 -9.57n/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 14: 5357-69 (2006)


Article DOI: 10.1016/j.bmc.2006.03.042
BindingDB Entry DOI: 10.7270/Q2NP22PZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Coagulation factor VII


(Homo sapiens (human))
BDBM13589
PNG
((4-carbamimidoyl-phenylamino)-[3-ethoxy-2-fluoro-5...)
Show SMILES CCOc1cc(OC2CCOC2)c(F)c(c1)C(Nc1ccc(cc1)C(N)=N)C(O)=O
Show InChI InChI=1S/C21H24FN3O5/c1-2-29-15-9-16(18(22)17(10-15)30-14-7-8-28-11-14)19(21(26)27)25-13-5-3-12(4-6-13)20(23)24/h3-6,9-10,14,19,25H,2,7-8,11H2,1H3,(H3,23,24)(H,26,27)
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88 -9.52n/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 14: 5357-69 (2006)


Article DOI: 10.1016/j.bmc.2006.03.042
BindingDB Entry DOI: 10.7270/Q2NP22PZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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 -9.39n/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 -9.34n/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 -9.30n/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 -9.29n/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))
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 -9.29n/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))
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 -9.25n/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))
BDBM13588
PNG
((4-Carbamimidoyl-phenylamino)-[3-ethoxy-5-(tetra-h...)
Show SMILES CCOc1cc(OC2CCOC2)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)
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140 -9.25n/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 14: 5357-69 (2006)


Article DOI: 10.1016/j.bmc.2006.03.042
BindingDB Entry DOI: 10.7270/Q2NP22PZ
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 -9.17n/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))
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 -9.10n/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 -9.07n/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 -9.07n/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 14: 5357-69 (2006)


Article DOI: 10.1016/j.bmc.2006.03.042
BindingDB Entry DOI: 10.7270/Q2NP22PZ
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (human))
BDBM13587
PNG
((RS)-(4-carbamimidoyl-phenylamino)-(3,5-diethoxy-2...)
Show SMILES CCOc1cc(OCC)c(F)c(c1)C(Nc1ccc(cc1)C(N)=N)C(O)=O
Show InChI InChI=1S/C19H22FN3O4/c1-3-26-13-9-14(16(20)15(10-13)27-4-2)17(19(24)25)23-12-7-5-11(6-8-12)18(21)22/h5-10,17,23H,3-4H2,1-2H3,(H3,21,22)(H,24,25)
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200 -9.04n/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 14: 5357-69 (2006)


Article DOI: 10.1016/j.bmc.2006.03.042
BindingDB Entry DOI: 10.7270/Q2NP22PZ
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 -8.98n/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))
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 -8.75n/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))
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 -8.71n/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 -8.66n/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))
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 -8.59n/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 -8.53n/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 -8.49n/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))
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 -8.10n/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))
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 -7.26n/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))
BDBM23569
PNG
((2S)-N-[(3S)-6-carbamimidamido-1-chloro-2-oxohexan...)
Show SMILES NC(N)=NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCN1)C(=O)CCl
Show InChI InChI=1S/C21H31ClN6O3/c22-13-18(29)15(8-4-11-26-21(23)24)27-20(31)17(12-14-6-2-1-3-7-14)28-19(30)16-9-5-10-25-16/h1-3,6-7,15-17,25H,4-5,8-13H2,(H,27,31)(H,28,30)(H4,23,24,26)/t15-,16+,17-/m0/s1
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n/an/a 1.50E+3n/an/an/an/an/an/a



University of Namur



Assay Description
After substrate hydrolysis reaction, the absorbance at 405 nm was measured in a microplate reader. Percentages of inhibition at each concentration we...


J Med Chem 51: 3077-80 (2008)


Article DOI: 10.1021/jm8002697
BindingDB Entry DOI: 10.7270/Q2610XNH
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (human))
BDBM23568
PNG
(3-Carboxamide-coumarin deriv., 46 | 8-bromo-6-chlo...)
Show SMILES Cc1cc(C)cc(NC(=O)c2cc3cc(Cl)cc(Br)c3oc2=O)c1
Show InChI InChI=1S/C18H13BrClNO3/c1-9-3-10(2)5-13(4-9)21-17(22)14-7-11-6-12(20)8-15(19)16(11)24-18(14)23/h3-8H,1-2H3,(H,21,22)
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Namur



Assay Description
After substrate hydrolysis reaction, the absorbance at 405 nm was measured in a microplate reader. Percentages of inhibition at each concentration we...


J Med Chem 51: 3077-80 (2008)


Article DOI: 10.1021/jm8002697
BindingDB Entry DOI: 10.7270/Q2610XNH
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (human))
BDBM23560
PNG
(3-Carboxamide-coumarin deriv., 30 | 6-methyl-N-(4-...)
Show SMILES Cc1ccc(NC(=O)c2cc3cc(C)ccc3oc2=O)cc1
Show InChI InChI=1S/C18H15NO3/c1-11-3-6-14(7-4-11)19-17(20)15-10-13-9-12(2)5-8-16(13)22-18(15)21/h3-10H,1-2H3,(H,19,20)
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Namur



Assay Description
After substrate hydrolysis reaction, the absorbance at 405 nm was measured in a microplate reader. Percentages of inhibition at each concentration we...


J Med Chem 51: 3077-80 (2008)


Article DOI: 10.1021/jm8002697
BindingDB Entry DOI: 10.7270/Q2610XNH
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (human))
BDBM23549
PNG
(3-Carboxamide-coumarin deriv., 47 | 6-bromo-8-meth...)
Show SMILES COc1cc(Br)cc2cc(C(=O)Nc3ccccc3)c(=O)oc12
Show InChI InChI=1S/C17H12BrNO4/c1-22-14-9-11(18)7-10-8-13(17(21)23-15(10)14)16(20)19-12-5-3-2-4-6-12/h2-9H,1H3,(H,19,20)
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Namur



Assay Description
After substrate hydrolysis reaction, the absorbance at 405 nm was measured in a microplate reader. Percentages of inhibition at each concentration we...


J Med Chem 51: 3077-80 (2008)


Article DOI: 10.1021/jm8002697
BindingDB Entry DOI: 10.7270/Q2610XNH
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (human))
BDBM23567
PNG
(3-Carboxamide-coumarin deriv., 45 | 8-bromo-6-chlo...)
Show SMILES Cc1cccc(NC(=O)c2cc3cc(Cl)cc(Br)c3oc2=O)c1
Show InChI InChI=1S/C17H11BrClNO3/c1-9-3-2-4-12(5-9)20-16(21)13-7-10-6-11(19)8-14(18)15(10)23-17(13)22/h2-8H,1H3,(H,20,21)
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Namur



Assay Description
After substrate hydrolysis reaction, the absorbance at 405 nm was measured in a microplate reader. Percentages of inhibition at each concentration we...


J Med Chem 51: 3077-80 (2008)


Article DOI: 10.1021/jm8002697
BindingDB Entry DOI: 10.7270/Q2610XNH
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (human))
BDBM23566
PNG
(3-Carboxamide-coumarin deriv., 43 | 6,8-dichloro-N...)
Show SMILES Cc1cc(C)cc(NC(=O)c2cc3cc(Cl)cc(Cl)c3oc2=O)c1
Show InChI InChI=1S/C18H13Cl2NO3/c1-9-3-10(2)5-13(4-9)21-17(22)14-7-11-6-12(19)8-15(20)16(11)24-18(14)23/h3-8H,1-2H3,(H,21,22)
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Namur



Assay Description
After substrate hydrolysis reaction, the absorbance at 405 nm was measured in a microplate reader. Percentages of inhibition at each concentration we...


J Med Chem 51: 3077-80 (2008)


Article DOI: 10.1021/jm8002697
BindingDB Entry DOI: 10.7270/Q2610XNH
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (human))
BDBM23536
PNG
(3-Carboxamide-coumarin deriv., 22 | N-cyclododecyl...)
Show SMILES Cc1ccc2oc(=O)c(cc2c1)C(=O)NC1CCCCCCCCCCC1
Show InChI InChI=1S/C23H31NO3/c1-17-13-14-21-18(15-17)16-20(23(26)27-21)22(25)24-19-11-9-7-5-3-2-4-6-8-10-12-19/h13-16,19H,2-12H2,1H3,(H,24,25)
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n/an/an/an/an/an/an/an/an/a



University of Namur



Assay Description
After substrate hydrolysis reaction, the absorbance at 405 nm was measured in a microplate reader. Percentages of inhibition at each concentration w...


J Med Chem 51: 3077-80 (2008)


Article DOI: 10.1021/jm8002697
BindingDB Entry DOI: 10.7270/Q2610XNH
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (human))
BDBM23547
PNG
(3-Carboxamide-coumarin deriv., 41 | 6,8-dichloro-2...)
Show SMILES Clc1cc(Cl)c2oc(=O)c(cc2c1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C16H9Cl2NO3/c17-10-6-9-7-12(16(21)22-14(9)13(18)8-10)15(20)19-11-4-2-1-3-5-11/h1-8H,(H,19,20)
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n/an/an/an/an/an/an/an/an/a



University of Namur



Assay Description
After substrate hydrolysis reaction, the absorbance at 405 nm was measured in a microplate reader. Percentages of inhibition at each concentration we...


J Med Chem 51: 3077-80 (2008)


Article DOI: 10.1021/jm8002697
BindingDB Entry DOI: 10.7270/Q2610XNH
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (human))
BDBM23538
PNG
(3-Carboxamide-coumarin deriv., 20 | 6-methyl-2-oxo...)
Show SMILES Cc1ccc2oc(=O)c(cc2c1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C17H13NO3/c1-11-7-8-15-12(9-11)10-14(17(20)21-15)16(19)18-13-5-3-2-4-6-13/h2-10H,1H3,(H,18,19)
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n/an/an/an/an/an/an/an/an/a



University of Namur



Assay Description
After substrate hydrolysis reaction, the absorbance at 405 nm was measured in a microplate reader. Percentages of inhibition at each concentration w...


J Med Chem 51: 3077-80 (2008)


Article DOI: 10.1021/jm8002697
BindingDB Entry DOI: 10.7270/Q2610XNH
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (human))
BDBM23539
PNG
(3-Carboxamide-coumarin deriv., 24 | N-benzyl-6-met...)
Show SMILES Cc1ccc2oc(=O)c(cc2c1)C(=O)NCc1ccccc1
Show InChI InChI=1S/C18H15NO3/c1-12-7-8-16-14(9-12)10-15(18(21)22-16)17(20)19-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,19,20)
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n/an/an/an/an/an/an/an/an/a



University of Namur



Assay Description
After substrate hydrolysis reaction, the absorbance at 405 nm was measured in a microplate reader. Percentages of inhibition at each concentration w...


J Med Chem 51: 3077-80 (2008)


Article DOI: 10.1021/jm8002697
BindingDB Entry DOI: 10.7270/Q2610XNH
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (human))
BDBM23540
PNG
(3-Carboxamide-coumarin deriv., 25 | 6-methyl-2-oxo...)
Show SMILES Cc1ccc2oc(=O)c(cc2c1)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C19H17NO3/c1-13-7-8-17-15(11-13)12-16(19(22)23-17)18(21)20-10-9-14-5-3-2-4-6-14/h2-8,11-12H,9-10H2,1H3,(H,20,21)
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n/an/an/an/an/an/an/an/an/a



University of Namur



Assay Description
After substrate hydrolysis reaction, the absorbance at 405 nm was measured in a microplate reader. Percentages of inhibition at each concentration w...


J Med Chem 51: 3077-80 (2008)


Article DOI: 10.1021/jm8002697
BindingDB Entry DOI: 10.7270/Q2610XNH
More data for this
Ligand-Target Pair
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