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Compile Data Set for Download or QSAR

Found 148 hits of ph data with Target = 'Coagulation factor VII'   
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))
BDBM12676
PNG
(1-(3-Aminobenzisoxazol-5-yl)-3-trifluoromethyl-N-[...)
Show SMILES CN(C)Cc1nccn1-c1ccc(NC(=O)c2cc(nn2-c2ccc3onc(N)c3c2)C(F)(F)F)c(F)c1
Show InChI InChI=1S/C24H20F4N8O2/c1-34(2)12-21-30-7-8-35(21)13-3-5-17(16(25)10-13)31-23(37)18-11-20(24(26,27)28)32-36(18)14-4-6-19-15(9-14)22(29)33-38-19/h3-11H,12H2,1-2H3,(H2,29,33)(H,31,37)
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>1.50E+4>-27.3n/an/an/an/an/a7.022



Bristol-Myers Squibb Company



Assay Description
Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...


Bioorg Med Chem Lett 16: 3755-60 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.044
BindingDB Entry DOI: 10.7270/Q2319T41
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (human))
BDBM31459
PNG
(CHEMBL224485 | substituted biphenyl derivative, 21)
Show SMILES CC(C)CNC(=O)c1ccc(c(c1)C(O)=O)-c1ccccc1C(=O)Nc1ccc(cc1)C(N)=N
Show InChI InChI=1S/C26H26N4O4/c1-15(2)14-29-24(31)17-9-12-20(22(13-17)26(33)34)19-5-3-4-6-21(19)25(32)30-18-10-7-16(8-11-18)23(27)28/h3-13,15H,14H2,1-2H3,(H3,27,28)(H,29,31)(H,30,32)(H,33,34)
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n/an/a 120n/an/an/an/a7.223



BioCryst Pharmaceuticals



Assay Description
TF-FVIIa assay reactions were performed in a mixture containing FVIIa , lapidated tissue factor, in an assay buffer in the presence of test compounds...


Bioorg Med Chem 17: 3934-58 (2009)


Article DOI: 10.1016/j.bmc.2009.04.013
BindingDB Entry DOI: 10.7270/Q2SX6BJN
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (human))
BDBM31488
PNG
(substituted biphenyl derivative, 36ab)
Show SMILES CC(C)CNC(=O)c1ccc(c(c1)C(O)=O)-c1ccc(cc1C(=O)Nc1ccc(cc1)C(N)=N)-c1ccco1
Show InChI InChI=1S/C30H28N4O5/c1-17(2)16-33-28(35)20-8-12-23(25(15-20)30(37)38)22-11-7-19(26-4-3-13-39-26)14-24(22)29(36)34-21-9-5-18(6-10-21)27(31)32/h3-15,17H,16H2,1-2H3,(H3,31,32)(H,33,35)(H,34,36)(H,37,38)
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n/an/a 9n/an/an/an/a7.223



BioCryst Pharmaceuticals



Assay Description
TF-FVIIa assay reactions were performed in a mixture containing FVIIa , lapidated tissue factor, in an assay buffer in the presence of test compounds...


Bioorg Med Chem 17: 3934-58 (2009)


Article DOI: 10.1016/j.bmc.2009.04.013
BindingDB Entry DOI: 10.7270/Q2SX6BJN
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (human))
BDBM31461
PNG
(substituted biphenyl derivative, 24)
Show SMILES COc1ccc(c(c1)C(=O)Nc1ccc(cc1)C(N)=N)-c1ccc(cc1C(O)=O)C(=O)NCC(C)C
Show InChI InChI=1S/C27H28N4O5/c1-15(2)14-30-25(32)17-6-10-21(23(12-17)27(34)35)20-11-9-19(36-3)13-22(20)26(33)31-18-7-4-16(5-8-18)24(28)29/h4-13,15H,14H2,1-3H3,(H3,28,29)(H,30,32)(H,31,33)(H,34,35)
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n/an/a 30n/an/an/an/a7.223



BioCryst Pharmaceuticals



Assay Description
TF-FVIIa assay reactions were performed in a mixture containing FVIIa , lapidated tissue factor, in an assay buffer in the presence of test compounds...


Bioorg Med Chem 17: 3934-58 (2009)


Article DOI: 10.1016/j.bmc.2009.04.013
BindingDB Entry DOI: 10.7270/Q2SX6BJN
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (human))
BDBM31462
PNG
(substituted biphenyl derivative, 36b)
Show SMILES CC(C)CNC(=O)c1ccc(c(c1)C(O)=O)-c1ccc(C=C)cc1C(=O)Nc1ccc(cc1)C(N)=N
Show InChI InChI=1S/C28H28N4O4/c1-4-17-5-11-21(23(13-17)27(34)32-20-9-6-18(7-10-20)25(29)30)22-12-8-19(14-24(22)28(35)36)26(33)31-15-16(2)3/h4-14,16H,1,15H2,2-3H3,(H3,29,30)(H,31,33)(H,32,34)(H,35,36)
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n/an/a 9n/an/an/an/a7.223



BioCryst Pharmaceuticals



Assay Description
TF-FVIIa assay reactions were performed in a mixture containing FVIIa , lapidated tissue factor, in an assay buffer in the presence of test compounds...


Bioorg Med Chem 17: 3934-58 (2009)


Article DOI: 10.1016/j.bmc.2009.04.013
BindingDB Entry DOI: 10.7270/Q2SX6BJN
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (human))
BDBM31463
PNG
(substituted biphenyl derivative, 36c)
Show SMILES CCc1ccc(c(c1)C(=O)Nc1ccc(cc1)C(N)=N)-c1ccc(cc1C(O)=O)C(=O)NCC(C)C
Show InChI InChI=1S/C28H30N4O4/c1-4-17-5-11-21(23(13-17)27(34)32-20-9-6-18(7-10-20)25(29)30)22-12-8-19(14-24(22)28(35)36)26(33)31-15-16(2)3/h5-14,16H,4,15H2,1-3H3,(H3,29,30)(H,31,33)(H,32,34)(H,35,36)
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n/an/a 97n/an/an/an/a7.223



BioCryst Pharmaceuticals



Assay Description
TF-FVIIa assay reactions were performed in a mixture containing FVIIa , lapidated tissue factor, in an assay buffer in the presence of test compounds...


Bioorg Med Chem 17: 3934-58 (2009)


Article DOI: 10.1016/j.bmc.2009.04.013
BindingDB Entry DOI: 10.7270/Q2SX6BJN
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (human))
BDBM31464
PNG
(substituted biphenyl derivative, 36d)
Show SMILES CC(C)CNC(=O)c1ccc(c(c1)C(O)=O)-c1ccc(CC=C)cc1C(=O)Nc1ccc(cc1)C(N)=N
Show InChI InChI=1S/C29H30N4O4/c1-4-5-18-6-12-22(24(14-18)28(35)33-21-10-7-19(8-11-21)26(30)31)23-13-9-20(15-25(23)29(36)37)27(34)32-16-17(2)3/h4,6-15,17H,1,5,16H2,2-3H3,(H3,30,31)(H,32,34)(H,33,35)(H,36,37)
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n/an/a 42n/an/an/an/a7.223



BioCryst Pharmaceuticals



Assay Description
TF-FVIIa assay reactions were performed in a mixture containing FVIIa , lapidated tissue factor, in an assay buffer in the presence of test compounds...


Bioorg Med Chem 17: 3934-58 (2009)


Article DOI: 10.1016/j.bmc.2009.04.013
BindingDB Entry DOI: 10.7270/Q2SX6BJN
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (human))
BDBM31465
PNG
(substituted biphenyl derivative, 36e)
Show SMILES CCCc1ccc(c(c1)C(=O)Nc1ccc(cc1)C(N)=N)-c1ccc(cc1C(O)=O)C(=O)NCC(C)C
Show InChI InChI=1S/C29H32N4O4/c1-4-5-18-6-12-22(24(14-18)28(35)33-21-10-7-19(8-11-21)26(30)31)23-13-9-20(15-25(23)29(36)37)27(34)32-16-17(2)3/h6-15,17H,4-5,16H2,1-3H3,(H3,30,31)(H,32,34)(H,33,35)(H,36,37)
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n/an/a 92n/an/an/an/a7.223



BioCryst Pharmaceuticals



Assay Description
TF-FVIIa assay reactions were performed in a mixture containing FVIIa , lapidated tissue factor, in an assay buffer in the presence of test compounds...


Bioorg Med Chem 17: 3934-58 (2009)


Article DOI: 10.1016/j.bmc.2009.04.013
BindingDB Entry DOI: 10.7270/Q2SX6BJN
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (human))
BDBM31466
PNG
(substituted biphenyl derivative, 36f)
Show SMILES CC(C)CNC(=O)c1ccc(c(c1)C(O)=O)-c1ccc(cc1C(=O)Nc1ccc(cc1)C(N)=N)C#C
Show InChI InChI=1S/C28H26N4O4/c1-4-17-5-11-21(23(13-17)27(34)32-20-9-6-18(7-10-20)25(29)30)22-12-8-19(14-24(22)28(35)36)26(33)31-15-16(2)3/h1,5-14,16H,15H2,2-3H3,(H3,29,30)(H,31,33)(H,32,34)(H,35,36)
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n/an/a 25n/an/an/an/a7.223



BioCryst Pharmaceuticals



Assay Description
TF-FVIIa assay reactions were performed in a mixture containing FVIIa , lapidated tissue factor, in an assay buffer in the presence of test compounds...


Bioorg Med Chem 17: 3934-58 (2009)


Article DOI: 10.1016/j.bmc.2009.04.013
BindingDB Entry DOI: 10.7270/Q2SX6BJN
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (human))
BDBM31467
PNG
(substituted biphenyl derivative, 36g)
Show SMILES CC(C)CNC(=O)c1ccc(c(c1)C(O)=O)-c1ccc(cc1C(=O)Nc1ccc(cc1)C(N)=N)C(C)=C
Show InChI InChI=1S/C29H30N4O4/c1-16(2)15-32-27(34)20-8-12-23(25(14-20)29(36)37)22-11-7-19(17(3)4)13-24(22)28(35)33-21-9-5-18(6-10-21)26(30)31/h5-14,16H,3,15H2,1-2,4H3,(H3,30,31)(H,32,34)(H,33,35)(H,36,37)
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n/an/a 13n/an/an/an/a7.223



BioCryst Pharmaceuticals



Assay Description
TF-FVIIa assay reactions were performed in a mixture containing FVIIa , lapidated tissue factor, in an assay buffer in the presence of test compounds...


Bioorg Med Chem 17: 3934-58 (2009)


Article DOI: 10.1016/j.bmc.2009.04.013
BindingDB Entry DOI: 10.7270/Q2SX6BJN
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (human))
BDBM31468
PNG
(substituted biphenyl derivative, 36h)
Show SMILES CC(C)CNC(=O)c1ccc(c(c1)C(O)=O)-c1ccc(C=C=C)cc1C(=O)Nc1ccc(cc1)C(N)=N
Show InChI InChI=1S/C29H28N4O4/c1-4-5-18-6-12-22(24(14-18)28(35)33-21-10-7-19(8-11-21)26(30)31)23-13-9-20(15-25(23)29(36)37)27(34)32-16-17(2)3/h5-15,17H,1,16H2,2-3H3,(H3,30,31)(H,32,34)(H,33,35)(H,36,37)
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n/an/a 9n/an/an/an/a7.223



BioCryst Pharmaceuticals



Assay Description
TF-FVIIa assay reactions were performed in a mixture containing FVIIa , lapidated tissue factor, in an assay buffer in the presence of test compounds...


Bioorg Med Chem 17: 3934-58 (2009)


Article DOI: 10.1016/j.bmc.2009.04.013
BindingDB Entry DOI: 10.7270/Q2SX6BJN
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (human))
BDBM31469
PNG
(substituted biphenyl derivative, 36i)
Show SMILES CC#Cc1ccc(c(c1)C(=O)Nc1ccc(cc1)C(N)=N)-c1ccc(cc1C(O)=O)C(=O)NCC(C)C
Show InChI InChI=1S/C29H28N4O4/c1-4-5-18-6-12-22(24(14-18)28(35)33-21-10-7-19(8-11-21)26(30)31)23-13-9-20(15-25(23)29(36)37)27(34)32-16-17(2)3/h6-15,17H,16H2,1-3H3,(H3,30,31)(H,32,34)(H,33,35)(H,36,37)
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n/an/a 34n/an/an/an/a7.223



BioCryst Pharmaceuticals



Assay Description
TF-FVIIa assay reactions were performed in a mixture containing FVIIa , lapidated tissue factor, in an assay buffer in the presence of test compounds...


Bioorg Med Chem 17: 3934-58 (2009)


Article DOI: 10.1016/j.bmc.2009.04.013
BindingDB Entry DOI: 10.7270/Q2SX6BJN
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (human))
BDBM31470
PNG
(substituted biphenyl derivative, 36j)
Show SMILES C\C=C/Cc1ccc(c(c1)C(=O)Nc1ccc(cc1)C(N)=N)-c1ccc(cc1C(O)=O)C(=O)NCC(C)C
Show InChI InChI=1S/C30H32N4O4/c1-4-5-6-19-7-13-23(25(15-19)29(36)34-22-11-8-20(9-12-22)27(31)32)24-14-10-21(16-26(24)30(37)38)28(35)33-17-18(2)3/h4-5,7-16,18H,6,17H2,1-3H3,(H3,31,32)(H,33,35)(H,34,36)(H,37,38)/b5-4-
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n/an/a 11n/an/an/an/a7.223



BioCryst Pharmaceuticals



Assay Description
TF-FVIIa assay reactions were performed in a mixture containing FVIIa , lapidated tissue factor, in an assay buffer in the presence of test compounds...


Bioorg Med Chem 17: 3934-58 (2009)


Article DOI: 10.1016/j.bmc.2009.04.013
BindingDB Entry DOI: 10.7270/Q2SX6BJN
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (human))
BDBM31471
PNG
(substituted biphenyl derivative, 36k)
Show SMILES CC(C)CNC(=O)c1ccc(c(c1)C(O)=O)-c1ccc(CC=C(C)C)cc1C(=O)Nc1ccc(cc1)C(N)=N
Show InChI InChI=1S/C31H34N4O4/c1-18(2)5-6-20-7-13-24(26(15-20)30(37)35-23-11-8-21(9-12-23)28(32)33)25-14-10-22(16-27(25)31(38)39)29(36)34-17-19(3)4/h5,7-16,19H,6,17H2,1-4H3,(H3,32,33)(H,34,36)(H,35,37)(H,38,39)
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n/an/a 45n/an/an/an/a7.223



BioCryst Pharmaceuticals



Assay Description
TF-FVIIa assay reactions were performed in a mixture containing FVIIa , lapidated tissue factor, in an assay buffer in the presence of test compounds...


Bioorg Med Chem 17: 3934-58 (2009)


Article DOI: 10.1016/j.bmc.2009.04.013
BindingDB Entry DOI: 10.7270/Q2SX6BJN
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (human))
BDBM31472
PNG
(substituted biphenyl derivative, 36l)
Show SMILES CC(C)CNC(=O)c1ccc(c(c1)C(O)=O)-c1ccc(\C=C/C(C)=C)cc1C(=O)Nc1ccc(cc1)C(N)=N
Show InChI InChI=1S/C31H32N4O4/c1-18(2)5-6-20-7-13-24(26(15-20)30(37)35-23-11-8-21(9-12-23)28(32)33)25-14-10-22(16-27(25)31(38)39)29(36)34-17-19(3)4/h5-16,19H,1,17H2,2-4H3,(H3,32,33)(H,34,36)(H,35,37)(H,38,39)/b6-5-
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n/an/a 130n/an/an/an/a7.223



BioCryst Pharmaceuticals



Assay Description
TF-FVIIa assay reactions were performed in a mixture containing FVIIa , lapidated tissue factor, in an assay buffer in the presence of test compounds...


Bioorg Med Chem 17: 3934-58 (2009)


Article DOI: 10.1016/j.bmc.2009.04.013
BindingDB Entry DOI: 10.7270/Q2SX6BJN
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (human))
BDBM31473
PNG
(substituted biphenyl derivative, 36m)
Show SMILES CC(C)CNC(=O)c1ccc(c(c1)C(O)=O)-c1ccc(\C=C/CO)cc1C(=O)Nc1ccc(cc1)C(N)=N
Show InChI InChI=1S/C29H30N4O5/c1-17(2)16-32-27(35)20-8-12-23(25(15-20)29(37)38)22-11-5-18(4-3-13-34)14-24(22)28(36)33-21-9-6-19(7-10-21)26(30)31/h3-12,14-15,17,34H,13,16H2,1-2H3,(H3,30,31)(H,32,35)(H,33,36)(H,37,38)/b4-3-
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n/an/a 52n/an/an/an/a7.223



BioCryst Pharmaceuticals



Assay Description
TF-FVIIa assay reactions were performed in a mixture containing FVIIa , lapidated tissue factor, in an assay buffer in the presence of test compounds...


Bioorg Med Chem 17: 3934-58 (2009)


Article DOI: 10.1016/j.bmc.2009.04.013
BindingDB Entry DOI: 10.7270/Q2SX6BJN
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (human))
BDBM31474
PNG
(substituted biphenyl derivative, 36n)
Show SMILES CC(C)CNC(=O)c1ccc(c(c1)C(O)=O)-c1ccc(cc1C(=O)Nc1ccc(cc1)C(N)=N)C(=C)CO
Show InChI InChI=1S/C29H30N4O5/c1-16(2)14-32-27(35)20-7-11-23(25(13-20)29(37)38)22-10-6-19(17(3)15-34)12-24(22)28(36)33-21-8-4-18(5-9-21)26(30)31/h4-13,16,34H,3,14-15H2,1-2H3,(H3,30,31)(H,32,35)(H,33,36)(H,37,38)
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n/an/a 12n/an/an/an/a7.223



BioCryst Pharmaceuticals



Assay Description
TF-FVIIa assay reactions were performed in a mixture containing FVIIa , lapidated tissue factor, in an assay buffer in the presence of test compounds...


Bioorg Med Chem 17: 3934-58 (2009)


Article DOI: 10.1016/j.bmc.2009.04.013
BindingDB Entry DOI: 10.7270/Q2SX6BJN
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (human))
BDBM31475
PNG
(substituted biphenyl derivative, 36o)
Show SMILES CC(C)CNC(=O)c1ccc(c(c1)C(O)=O)-c1ccc(cc1C(=O)Nc1ccc(cc1)C(N)=N)C(=C)CCO
Show InChI InChI=1S/C30H32N4O5/c1-17(2)16-33-28(36)21-7-11-24(26(15-21)30(38)39)23-10-6-20(18(3)12-13-35)14-25(23)29(37)34-22-8-4-19(5-9-22)27(31)32/h4-11,14-15,17,35H,3,12-13,16H2,1-2H3,(H3,31,32)(H,33,36)(H,34,37)(H,38,39)
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n/an/a 29n/an/an/an/a7.223



BioCryst Pharmaceuticals



Assay Description
TF-FVIIa assay reactions were performed in a mixture containing FVIIa , lapidated tissue factor, in an assay buffer in the presence of test compounds...


Bioorg Med Chem 17: 3934-58 (2009)


Article DOI: 10.1016/j.bmc.2009.04.013
BindingDB Entry DOI: 10.7270/Q2SX6BJN
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (human))
BDBM31476
PNG
(substituted biphenyl derivative, 36p)
Show SMILES CC(C)CNC(=O)c1ccc(c(c1)C(O)=O)-c1ccc(cc1C(=O)Nc1ccc(cc1)C(N)=N)C#CCO
Show InChI InChI=1S/C29H28N4O5/c1-17(2)16-32-27(35)20-8-12-23(25(15-20)29(37)38)22-11-5-18(4-3-13-34)14-24(22)28(36)33-21-9-6-19(7-10-21)26(30)31/h5-12,14-15,17,34H,13,16H2,1-2H3,(H3,30,31)(H,32,35)(H,33,36)(H,37,38)
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n/an/a 320n/an/an/an/a7.223



BioCryst Pharmaceuticals



Assay Description
TF-FVIIa assay reactions were performed in a mixture containing FVIIa , lapidated tissue factor, in an assay buffer in the presence of test compounds...


Bioorg Med Chem 17: 3934-58 (2009)


Article DOI: 10.1016/j.bmc.2009.04.013
BindingDB Entry DOI: 10.7270/Q2SX6BJN
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (human))
BDBM31477
PNG
(substituted biphenyl derivative, 36q)
Show SMILES CC(C)CNC(=O)c1ccc(c(c1)C(O)=O)-c1ccc(cc1C(=O)Nc1ccc(cc1)C(N)=N)C#CCCO
Show InChI InChI=1S/C30H30N4O5/c1-18(2)17-33-28(36)21-9-13-24(26(16-21)30(38)39)23-12-6-19(5-3-4-14-35)15-25(23)29(37)34-22-10-7-20(8-11-22)27(31)32/h6-13,15-16,18,35H,4,14,17H2,1-2H3,(H3,31,32)(H,33,36)(H,34,37)(H,38,39)
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n/an/a 500n/an/an/an/a7.223



BioCryst Pharmaceuticals



Assay Description
TF-FVIIa assay reactions were performed in a mixture containing FVIIa , lapidated tissue factor, in an assay buffer in the presence of test compounds...


Bioorg Med Chem 17: 3934-58 (2009)


Article DOI: 10.1016/j.bmc.2009.04.013
BindingDB Entry DOI: 10.7270/Q2SX6BJN
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (human))
BDBM31478
PNG
(substituted biphenyl derivative, 36r)
Show SMILES CC(C)CNC(=O)c1ccc(c(c1)C(O)=O)-c1ccc(cc1C(=O)Nc1ccc(cc1)C(N)=N)C#CC(C)(C)O
Show InChI InChI=1S/C31H32N4O5/c1-18(2)17-34-28(36)21-8-12-24(26(16-21)30(38)39)23-11-5-19(13-14-31(3,4)40)15-25(23)29(37)35-22-9-6-20(7-10-22)27(32)33/h5-12,15-16,18,40H,17H2,1-4H3,(H3,32,33)(H,34,36)(H,35,37)(H,38,39)
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n/an/a 926n/an/an/an/a7.223



BioCryst Pharmaceuticals



Assay Description
TF-FVIIa assay reactions were performed in a mixture containing FVIIa , lapidated tissue factor, in an assay buffer in the presence of test compounds...


Bioorg Med Chem 17: 3934-58 (2009)


Article DOI: 10.1016/j.bmc.2009.04.013
BindingDB Entry DOI: 10.7270/Q2SX6BJN
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (human))
BDBM31479
PNG
(substituted biphenyl derivative, 36s)
Show SMILES CC(C)CNC(=O)c1ccc(c(c1)C(O)=O)-c1ccc(cc1C(=O)Nc1ccc(cc1)C(N)=N)C(O)CO
Show InChI InChI=1S/C28H30N4O6/c1-15(2)13-31-26(35)18-6-10-21(23(12-18)28(37)38)20-9-5-17(24(34)14-33)11-22(20)27(36)32-19-7-3-16(4-8-19)25(29)30/h3-12,15,24,33-34H,13-14H2,1-2H3,(H3,29,30)(H,31,35)(H,32,36)(H,37,38)
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n/an/a 1.61E+3n/an/an/an/a7.223



BioCryst Pharmaceuticals



Assay Description
TF-FVIIa assay reactions were performed in a mixture containing FVIIa , lapidated tissue factor, in an assay buffer in the presence of test compounds...


Bioorg Med Chem 17: 3934-58 (2009)


Article DOI: 10.1016/j.bmc.2009.04.013
BindingDB Entry DOI: 10.7270/Q2SX6BJN
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (human))
BDBM31480
PNG
(substituted biphenyl derivative, 36t)
Show SMILES CC(C)CNC(=O)c1ccc(c(c1)C(O)=O)-c1ccc(CN=[N+]=[N-])cc1C(=O)Nc1ccc(cc1)C(N)=N
Show InChI InChI=1S/C27H27N7O4/c1-15(2)13-31-25(35)18-6-10-21(23(12-18)27(37)38)20-9-3-16(14-32-34-30)11-22(20)26(36)33-19-7-4-17(5-8-19)24(28)29/h3-12,15H,13-14H2,1-2H3,(H3,28,29)(H,31,35)(H,33,36)(H,37,38)
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n/an/a 60n/an/an/an/a7.223



BioCryst Pharmaceuticals



Assay Description
TF-FVIIa assay reactions were performed in a mixture containing FVIIa , lapidated tissue factor, in an assay buffer in the presence of test compounds...


Bioorg Med Chem 17: 3934-58 (2009)


Article DOI: 10.1016/j.bmc.2009.04.013
BindingDB Entry DOI: 10.7270/Q2SX6BJN
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (human))
BDBM31481
PNG
(substituted biphenyl derivative, 36u)
Show SMILES CC(C)CNC(=O)c1ccc(c(c1)C(O)=O)-c1ccc(CN)cc1C(=O)Nc1ccc(cc1)C(N)=N
Show InChI InChI=1S/C27H29N5O4/c1-15(2)14-31-25(33)18-6-10-21(23(12-18)27(35)36)20-9-3-16(13-28)11-22(20)26(34)32-19-7-4-17(5-8-19)24(29)30/h3-12,15H,13-14,28H2,1-2H3,(H3,29,30)(H,31,33)(H,32,34)(H,35,36)
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n/an/a 1.22E+3n/an/an/an/a7.223



BioCryst Pharmaceuticals



Assay Description
TF-FVIIa assay reactions were performed in a mixture containing FVIIa , lapidated tissue factor, in an assay buffer in the presence of test compounds...


Bioorg Med Chem 17: 3934-58 (2009)


Article DOI: 10.1016/j.bmc.2009.04.013
BindingDB Entry DOI: 10.7270/Q2SX6BJN
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (human))
BDBM31482
PNG
(substituted biphenyl derivative, 36v)
Show SMILES CC(C)CNC(=O)c1ccc(c(c1)C(O)=O)-c1ccc(cc1C(=O)Nc1ccc(cc1)C(N)=N)-c1ccccc1
Show InChI InChI=1S/C32H30N4O4/c1-19(2)18-35-30(37)23-11-15-26(28(17-23)32(39)40)25-14-10-22(20-6-4-3-5-7-20)16-27(25)31(38)36-24-12-8-21(9-13-24)29(33)34/h3-17,19H,18H2,1-2H3,(H3,33,34)(H,35,37)(H,36,38)(H,39,40)
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n/an/a 98n/an/an/an/a7.223



BioCryst Pharmaceuticals



Assay Description
TF-FVIIa assay reactions were performed in a mixture containing FVIIa , lapidated tissue factor, in an assay buffer in the presence of test compounds...


Bioorg Med Chem 17: 3934-58 (2009)


Article DOI: 10.1016/j.bmc.2009.04.013
BindingDB Entry DOI: 10.7270/Q2SX6BJN
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (human))
BDBM31483
PNG
(substituted biphenyl derivative, 36w)
Show SMILES CC(C)CNC(=O)c1ccc(c(c1)C(O)=O)-c1ccc(Cc2ccccc2)cc1C(=O)Nc1ccc(cc1)C(N)=N
Show InChI InChI=1S/C33H32N4O4/c1-20(2)19-36-31(38)24-11-15-27(29(18-24)33(40)41)26-14-8-22(16-21-6-4-3-5-7-21)17-28(26)32(39)37-25-12-9-23(10-13-25)30(34)35/h3-15,17-18,20H,16,19H2,1-2H3,(H3,34,35)(H,36,38)(H,37,39)(H,40,41)
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n/an/a 21n/an/an/an/a7.223



BioCryst Pharmaceuticals



Assay Description
TF-FVIIa assay reactions were performed in a mixture containing FVIIa , lapidated tissue factor, in an assay buffer in the presence of test compounds...


Bioorg Med Chem 17: 3934-58 (2009)


Article DOI: 10.1016/j.bmc.2009.04.013
BindingDB Entry DOI: 10.7270/Q2SX6BJN
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (human))
BDBM31484
PNG
(substituted biphenyl derivative, 36x)
Show SMILES CC(C)CNC(=O)c1ccc(c(c1)C(O)=O)-c1ccc(cc1C(=O)Nc1ccc(cc1)C(N)=N)-c1ccncc1
Show InChI InChI=1S/C31H29N5O4/c1-18(2)17-35-29(37)22-6-10-25(27(16-22)31(39)40)24-9-5-21(19-11-13-34-14-12-19)15-26(24)30(38)36-23-7-3-20(4-8-23)28(32)33/h3-16,18H,17H2,1-2H3,(H3,32,33)(H,35,37)(H,36,38)(H,39,40)
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n/an/a 231n/an/an/an/a7.223



BioCryst Pharmaceuticals



Assay Description
TF-FVIIa assay reactions were performed in a mixture containing FVIIa , lapidated tissue factor, in an assay buffer in the presence of test compounds...


Bioorg Med Chem 17: 3934-58 (2009)


Article DOI: 10.1016/j.bmc.2009.04.013
BindingDB Entry DOI: 10.7270/Q2SX6BJN
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (human))
BDBM31485
PNG
(substituted biphenyl derivative, 36y)
Show SMILES CC(C)CNC(=O)c1ccc(c(c1)C(O)=O)-c1ccc(cc1C(=O)Nc1ccc(cc1)C(N)=N)-c1cccnc1
Show InChI InChI=1S/C31H29N5O4/c1-18(2)16-35-29(37)21-8-12-25(27(15-21)31(39)40)24-11-7-20(22-4-3-13-34-17-22)14-26(24)30(38)36-23-9-5-19(6-10-23)28(32)33/h3-15,17-18H,16H2,1-2H3,(H3,32,33)(H,35,37)(H,36,38)(H,39,40)
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n/an/a 546n/an/an/an/a7.223



BioCryst Pharmaceuticals



Assay Description
TF-FVIIa assay reactions were performed in a mixture containing FVIIa , lapidated tissue factor, in an assay buffer in the presence of test compounds...


Bioorg Med Chem 17: 3934-58 (2009)


Article DOI: 10.1016/j.bmc.2009.04.013
BindingDB Entry DOI: 10.7270/Q2SX6BJN
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (human))
BDBM31486
PNG
(substituted biphenyl derivative, 36z)
Show SMILES CC(C)CNC(=O)c1ccc(c(c1)C(O)=O)-c1ccc(cc1C(=O)Nc1ccc(cc1)C(N)=N)-c1cccs1
Show InChI InChI=1S/C30H28N4O4S/c1-17(2)16-33-28(35)20-8-12-23(25(15-20)30(37)38)22-11-7-19(26-4-3-13-39-26)14-24(22)29(36)34-21-9-5-18(6-10-21)27(31)32/h3-15,17H,16H2,1-2H3,(H3,31,32)(H,33,35)(H,34,36)(H,37,38)
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n/an/a 10n/an/an/an/a7.223



BioCryst Pharmaceuticals



Assay Description
TF-FVIIa assay reactions were performed in a mixture containing FVIIa , lapidated tissue factor, in an assay buffer in the presence of test compounds...


Bioorg Med Chem 17: 3934-58 (2009)


Article DOI: 10.1016/j.bmc.2009.04.013
BindingDB Entry DOI: 10.7270/Q2SX6BJN
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (human))
BDBM31487
PNG
(substituted biphenyl derivative, 36aa)
Show SMILES CC(C)CNC(=O)c1ccc(c(c1)C(O)=O)-c1ccc(cc1C(=O)Nc1ccc(cc1)C(N)=N)-c1ccsc1
Show InChI InChI=1S/C30H28N4O4S/c1-17(2)15-33-28(35)20-6-10-24(26(14-20)30(37)38)23-9-5-19(21-11-12-39-16-21)13-25(23)29(36)34-22-7-3-18(4-8-22)27(31)32/h3-14,16-17H,15H2,1-2H3,(H3,31,32)(H,33,35)(H,34,36)(H,37,38)
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n/an/a 10n/an/an/an/a7.223



BioCryst Pharmaceuticals



Assay Description
TF-FVIIa assay reactions were performed in a mixture containing FVIIa , lapidated tissue factor, in an assay buffer in the presence of test compounds...


Bioorg Med Chem 17: 3934-58 (2009)


Article DOI: 10.1016/j.bmc.2009.04.013
BindingDB Entry DOI: 10.7270/Q2SX6BJN
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (human))
BDBM31460
PNG
(substituted biphenyl derivative, 36a)
Show SMILES CC(C)CNC(=O)c1ccc(c(c1)C(O)=O)-c1ccc(O)cc1C(=O)Nc1ccc(cc1)C(N)=N
Show InChI InChI=1S/C26H26N4O5/c1-14(2)13-29-24(32)16-5-9-20(22(11-16)26(34)35)19-10-8-18(31)12-21(19)25(33)30-17-6-3-15(4-7-17)23(27)28/h3-12,14,31H,13H2,1-2H3,(H3,27,28)(H,29,32)(H,30,33)(H,34,35)
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n/an/a 67n/an/an/an/a7.223



BioCryst Pharmaceuticals



Assay Description
TF-FVIIa assay reactions were performed in a mixture containing FVIIa , lapidated tissue factor, in an assay buffer in the presence of test compounds...


Bioorg Med Chem 17: 3934-58 (2009)


Article DOI: 10.1016/j.bmc.2009.04.013
BindingDB Entry DOI: 10.7270/Q2SX6BJN
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (human))
BDBM14898
PNG
(2-[3-(5-carbamimidoyl-1H-1,3-benzodiazol-2-yl)-5-(...)
Show SMILES NC(=N)c1ccc2nc([nH]c2c1)-c1cc(cc(c1O)-c1cc(F)ccc1O)C(CC(O)=O)C(O)=O
Show InChI InChI=1S/C24H19FN4O6/c25-12-2-4-19(30)14(8-12)15-5-11(13(24(34)35)9-20(31)32)6-16(21(15)33)23-28-17-3-1-10(22(26)27)7-18(17)29-23/h1-8,13,30,33H,9H2,(H3,26,27)(H,28,29)(H,31,32)(H,34,35)
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4 -47.5n/an/an/an/an/a7.422



Celera



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 16: 1596-600 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.040
BindingDB Entry DOI: 10.7270/Q2VX0DSZ
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (human))
BDBM13778
PNG
(2-[3-(5-carbamimidoyl-1H-indol-2-yl)-4-hydroxy-5-(...)
Show SMILES NC(=N)c1ccc2[nH]c(cc2c1)-c1cc(CC(O)=O)cc(c1O)-c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C23H18N4O5/c24-23(25)14-4-5-19-15(9-14)11-20(26-19)18-7-12(8-21(28)29)6-17(22(18)30)13-2-1-3-16(10-13)27(31)32/h1-7,9-11,26,30H,8H2,(H3,24,25)(H,28,29)
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4 -47.5n/an/an/an/an/a7.422



Celera



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 16: 2270-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.017
BindingDB Entry DOI: 10.7270/Q2RF5S8X
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (human))
BDBM14899
PNG
(2-[3-(5-carbamimidoyl-1H-1,3-benzodiazol-2-yl)-5-(...)
Show SMILES NC(=N)c1ccc2nc([nH]c2c1)-c1cc(cc(c1O)-c1cc(Cl)ccc1O)C(CC(O)=O)C(O)=O
Show InChI InChI=1S/C24H19ClN4O6/c25-12-2-4-19(30)14(8-12)15-5-11(13(24(34)35)9-20(31)32)6-16(21(15)33)23-28-17-3-1-10(22(26)27)7-18(17)29-23/h1-8,13,30,33H,9H2,(H3,26,27)(H,28,29)(H,31,32)(H,34,35)
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5.40 -46.7n/an/an/an/an/a7.422



Celera



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 16: 1596-600 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.040
BindingDB Entry DOI: 10.7270/Q2VX0DSZ
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (human))
BDBM14900
PNG
(2-[3-(5-carbamimidoyl-1H-1,3-benzodiazol-2-yl)-4-h...)
Show SMILES NC(=N)c1ccc2nc([nH]c2c1)-c1cc(cc(c1O)-c1cc(ccc1O)[N+]([O-])=O)C(CC(O)=O)C(O)=O
Show InChI InChI=1S/C24H19N5O8/c25-22(26)10-1-3-17-18(7-10)28-23(27-17)16-6-11(13(24(34)35)9-20(31)32)5-15(21(16)33)14-8-12(29(36)37)2-4-19(14)30/h1-8,13,30,33H,9H2,(H3,25,26)(H,27,28)(H,31,32)(H,34,35)
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6 -46.5n/an/an/an/an/a7.422



Celera



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 16: 1596-600 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.040
BindingDB Entry DOI: 10.7270/Q2VX0DSZ
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (human))
BDBM14904
PNG
(2-[3-(3-bromo-5-chloro-2-hydroxyphenyl)-5-(5-carba...)
Show SMILES NC(=N)c1ccc2nc([nH]c2c1)-c1cc(cc(c1O)-c1cc(Cl)cc(Br)c1O)C(CC(O)=O)C(O)=O
Show InChI InChI=1S/C24H18BrClN4O6/c25-16-7-11(26)6-14(21(16)34)13-3-10(12(24(35)36)8-19(31)32)4-15(20(13)33)23-29-17-2-1-9(22(27)28)5-18(17)30-23/h1-7,12,33-34H,8H2,(H3,27,28)(H,29,30)(H,31,32)(H,35,36)
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9 -45.5n/an/an/an/an/a7.422



Celera



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 16: 1596-600 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.040
BindingDB Entry DOI: 10.7270/Q2VX0DSZ
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (human))
BDBM14901
PNG
(2-[3-(5-amino-2-hydroxyphenyl)-5-(5-carbamimidoyl-...)
Show SMILES NC(=N)c1ccc2nc([nH]c2c1)-c1cc(cc(c1O)-c1cc(N)ccc1O)C(CC(O)=O)C(O)=O
Show InChI InChI=1S/C24H21N5O6/c25-12-2-4-19(30)14(8-12)15-5-11(13(24(34)35)9-20(31)32)6-16(21(15)33)23-28-17-3-1-10(22(26)27)7-18(17)29-23/h1-8,13,30,33H,9,25H2,(H3,26,27)(H,28,29)(H,31,32)(H,34,35)
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10 -45.2n/an/an/an/an/a7.422



Celera



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 16: 1596-600 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.040
BindingDB Entry DOI: 10.7270/Q2VX0DSZ
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (human))
BDBM14902
PNG
(2-[3-(5-carbamimidoyl-1H-1,3-benzodiazol-2-yl)-5-(...)
Show SMILES NC(=N)c1ccc2nc([nH]c2c1)-c1cc(cc(c1O)-c1cc(ccc1O)C#N)C(CC(O)=O)C(O)=O
Show InChI InChI=1S/C25H19N5O6/c26-10-11-1-4-20(31)15(5-11)16-6-13(14(25(35)36)9-21(32)33)7-17(22(16)34)24-29-18-3-2-12(23(27)28)8-19(18)30-24/h1-8,14,31,34H,9H2,(H3,27,28)(H,29,30)(H,32,33)(H,35,36)
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12 -44.8n/an/an/an/an/a7.422



Celera



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 16: 1596-600 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.040
BindingDB Entry DOI: 10.7270/Q2VX0DSZ
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (human))
BDBM14863
PNG
(({3-[3-(5-carbamimidoyl-1H-1,3-benzodiazol-2-yl)-2...)
Show SMILES NC(=O)NCc1ccc(O)c(c1)-c1cccc(-c2nc3ccc(cc3[nH]2)C(N)=N)c1O
Show InChI InChI=1S/C22H20N6O3/c23-20(24)12-5-6-16-17(9-12)28-21(27-16)14-3-1-2-13(19(14)30)15-8-11(4-7-18(15)29)10-26-22(25)31/h1-9,29-30H,10H2,(H3,23,24)(H,27,28)(H3,25,26,31)
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13 -44.6n/an/an/an/an/a7.422



Celera



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 16: 3197-200 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.049
BindingDB Entry DOI: 10.7270/Q20P0X9Q
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (human))
BDBM14903
PNG
(2-[3-(5-carbamimidoyl-1H-1,3-benzodiazol-2-yl)-4-h...)
Show SMILES NC(=N)c1ccc2nc([nH]c2c1)-c1cc(cc(c1O)-c1ccccc1O)C(CC(O)=O)C(O)=O
Show InChI InChI=1S/C24H20N4O6/c25-22(26)11-5-6-17-18(9-11)28-23(27-17)16-8-12(14(24(33)34)10-20(30)31)7-15(21(16)32)13-3-1-2-4-19(13)29/h1-9,14,29,32H,10H2,(H3,25,26)(H,27,28)(H,30,31)(H,33,34)
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13 -44.6n/an/an/an/an/a7.422



Celera



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 16: 1596-600 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.040
BindingDB Entry DOI: 10.7270/Q2VX0DSZ
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (human))
BDBM14905
PNG
(2-[3-(5-carbamimidoyl-1H-1,3-benzodiazol-2-yl)-5-(...)
Show SMILES NC(=N)c1ccc2nc([nH]c2c1)-c1cc(cc(c1O)-c1cc(Cl)cc(Cl)c1O)C(CC(O)=O)C(O)=O
Show InChI InChI=1S/C24H18Cl2N4O6/c25-11-6-14(21(34)16(26)7-11)13-3-10(12(24(35)36)8-19(31)32)4-15(20(13)33)23-29-17-2-1-9(22(27)28)5-18(17)30-23/h1-7,12,33-34H,8H2,(H3,27,28)(H,29,30)(H,31,32)(H,35,36)
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14 -44.4n/an/an/an/an/a7.422



Celera



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 16: 1596-600 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.040
BindingDB Entry DOI: 10.7270/Q2VX0DSZ
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (human))
BDBM13776
PNG
(2-[3-(5-carbamimidoyl-1H-1,3-benzodiazol-2-yl)-4-h...)
Show SMILES NC(=N)c1ccc2nc([nH]c2c1)-c1cc(CC(O)=O)cc(c1O)-c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C22H17N5O5/c23-21(24)13-4-5-17-18(10-13)26-22(25-17)16-7-11(8-19(28)29)6-15(20(16)30)12-2-1-3-14(9-12)27(31)32/h1-7,9-10,30H,8H2,(H3,23,24)(H,25,26)(H,28,29)
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15 -44.2n/an/an/an/an/a7.422



Celera



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 16: 2270-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.017
BindingDB Entry DOI: 10.7270/Q2RF5S8X
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (human))
BDBM13786
PNG
(2-(3-{5-amino-1H-pyrrolo[3,2-b]pyridin-2-yl}-4-hyd...)
Show SMILES Nc1ccc2[nH]c(cc2n1)-c1cc(CC(O)=O)cc(c1O)-c1cccc(CNC(=O)Nc2ccccc2)c1
Show InChI InChI=1S/C29H25N5O4/c30-26-10-9-23-25(34-26)15-24(33-23)22-13-18(14-27(35)36)12-21(28(22)37)19-6-4-5-17(11-19)16-31-29(38)32-20-7-2-1-3-8-20/h1-13,15,33,37H,14,16H2,(H2,30,34)(H,35,36)(H2,31,32,38)
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20 -43.5n/an/an/an/an/a7.422



Celera



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 16: 2270-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.017
BindingDB Entry DOI: 10.7270/Q2RF5S8X
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (human))
BDBM14907
PNG
(2-[3-(5-carbamimidoyl-1H-1,3-benzodiazol-2-yl)-4-h...)
Show SMILES NC(=N)c1ccc2nc([nH]c2c1)-c1cc(cc(-c2cccc(CO)c2)c1O)C(CC(O)=O)C(O)=O
Show InChI InChI=1S/C25H22N4O6/c26-23(27)14-4-5-19-20(9-14)29-24(28-19)18-8-15(17(25(34)35)10-21(31)32)7-16(22(18)33)13-3-1-2-12(6-13)11-30/h1-9,17,30,33H,10-11H2,(H3,26,27)(H,28,29)(H,31,32)(H,34,35)
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21 -43.4n/an/an/an/an/a7.422



Celera



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 16: 1596-600 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.040
BindingDB Entry DOI: 10.7270/Q2VX0DSZ
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (human))
BDBM14908
PNG
(2-[3-(5-carbamimidoyl-1H-1,3-benzodiazol-2-yl)-4-h...)
Show SMILES NC(=N)c1ccc2nc([nH]c2c1)-c1cc(cc(-c2cccc(c2)[N+]([O-])=O)c1O)C(CC(O)=O)C(O)=O
Show InChI InChI=1S/C24H19N5O7/c25-22(26)12-4-5-18-19(9-12)28-23(27-18)17-8-13(16(24(33)34)10-20(30)31)7-15(21(17)32)11-2-1-3-14(6-11)29(35)36/h1-9,16,32H,10H2,(H3,25,26)(H,27,28)(H,30,31)(H,33,34)
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22 -43.3n/an/an/an/an/a7.422



Celera



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 16: 1596-600 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.040
BindingDB Entry DOI: 10.7270/Q2VX0DSZ
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (human))
BDBM14909
PNG
(2-[3-(5-carbamimidoyl-1H-1,3-benzodiazol-2-yl)-4-h...)
Show SMILES NC(=N)c1ccc2nc([nH]c2c1)-c1cc(cc(c1O)-c1ccccc1[N+]([O-])=O)C(CC(O)=O)C(O)=O
Show InChI InChI=1S/C24H19N5O7/c25-22(26)11-5-6-17-18(9-11)28-23(27-17)16-8-12(14(24(33)34)10-20(30)31)7-15(21(16)32)13-3-1-2-4-19(13)29(35)36/h1-9,14,32H,10H2,(H3,25,26)(H,27,28)(H,30,31)(H,33,34)
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22 -43.3n/an/an/an/an/a7.422



Celera



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 16: 1596-600 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.040
BindingDB Entry DOI: 10.7270/Q2VX0DSZ
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (human))
BDBM14906
PNG
(2-[3-(5-carbamimidoyl-1H-1,3-benzodiazol-2-yl)-5-(...)
Show SMILES NC(=N)c1ccc2nc([nH]c2c1)-c1cc(cc(c1O)-c1c(O)cc(Cl)cc1Cl)C(CC(O)=O)C(O)=O
Show InChI InChI=1S/C24H18Cl2N4O6/c25-11-6-15(26)20(18(31)7-11)13-3-10(12(24(35)36)8-19(32)33)4-14(21(13)34)23-29-16-2-1-9(22(27)28)5-17(16)30-23/h1-7,12,31,34H,8H2,(H3,27,28)(H,29,30)(H,32,33)(H,35,36)
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25 -43.0n/an/an/an/an/a7.422



Celera



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 16: 1596-600 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.040
BindingDB Entry DOI: 10.7270/Q2VX0DSZ
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (human))
BDBM14910
PNG
(2-[3-(5-carbamimidoyl-1H-1,3-benzodiazol-2-yl)-5-(...)
Show SMILES NC(=N)c1ccc2nc([nH]c2c1)-c1cc(cc(-c2cc(Cl)cc(Cl)c2)c1O)C(CC(O)=O)C(O)=O
Show InChI InChI=1S/C24H18Cl2N4O5/c25-13-3-11(4-14(26)8-13)15-5-12(16(24(34)35)9-20(31)32)6-17(21(15)33)23-29-18-2-1-10(22(27)28)7-19(18)30-23/h1-8,16,33H,9H2,(H3,27,28)(H,29,30)(H,31,32)(H,34,35)
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27 -42.8n/an/an/an/an/a7.422



Celera



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 16: 1596-600 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.040
BindingDB Entry DOI: 10.7270/Q2VX0DSZ
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (human))
BDBM14911
PNG
(2-[3-(5-carbamimidoyl-1H-1,3-benzodiazol-2-yl)-5-(...)
Show SMILES Cc1cc(C)cc(c1)-c1cc(cc(-c2nc3ccc(cc3[nH]2)C(N)=N)c1O)C(CC(O)=O)C(O)=O
Show InChI InChI=1S/C26H24N4O5/c1-12-5-13(2)7-15(6-12)17-8-16(18(26(34)35)11-22(31)32)9-19(23(17)33)25-29-20-4-3-14(24(27)28)10-21(20)30-25/h3-10,18,33H,11H2,1-2H3,(H3,27,28)(H,29,30)(H,31,32)(H,34,35)
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29 -42.6n/an/an/an/an/a7.422



Celera



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 16: 1596-600 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.040
BindingDB Entry DOI: 10.7270/Q2VX0DSZ
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (human))
BDBM14912
PNG
(2-[3-(5-carbamimidoyl-1H-1,3-benzodiazol-2-yl)-5-(...)
Show SMILES CC(=O)c1cccc(c1)-c1cc(cc(-c2nc3ccc(cc3[nH]2)C(N)=N)c1O)C(CC(O)=O)C(O)=O
Show InChI InChI=1S/C26H22N4O6/c1-12(31)13-3-2-4-14(7-13)17-8-16(18(26(35)36)11-22(32)33)9-19(23(17)34)25-29-20-6-5-15(24(27)28)10-21(20)30-25/h2-10,18,34H,11H2,1H3,(H3,27,28)(H,29,30)(H,32,33)(H,35,36)
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33 -42.3n/an/an/an/an/a7.422



Celera



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 16: 1596-600 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.040
BindingDB Entry DOI: 10.7270/Q2VX0DSZ
More data for this
Ligand-Target Pair
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