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Compile Data Set for Download or QSAR

Found 39 hits of Enz. Inhib. data with enzyme = 'Coagulation factor X' and Substrate = 'BDBM31507'   
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 X


(Homo sapiens (human))
BDBM31500
PNG
(substituted biphenyl derivative, 36an)
Show SMILES CC(C)CNC(=O)c1ccc(c(c1)C(O)=O)-c1ccc(cc1C(=O)Nc1ccc(cc1)C(N)=N)-c1cscc1CN
Show InChI InChI=1S/C31H31N5O4S/c1-17(2)14-35-29(37)20-6-10-24(26(12-20)31(39)40)23-9-5-19(27-16-41-15-21(27)13-32)11-25(23)30(38)36-22-7-3-18(4-8-22)28(33)34/h3-12,15-17H,13-14,32H2,1-2H3,(H3,33,34)(H,35,37)(H,36,38)(H,39,40)
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BioCryst Pharmaceuticals



Assay Description
FXa assay reactions were performed in a reaction mixture containing FXa, and test compounds were added at varied concentrations and reactions were in...


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 X


(Homo sapiens (human))
BDBM31501
PNG
(substituted biphenyl derivative, 36ao)
Show SMILES CC(C)CNC(=O)c1ccc(c(c1)C(O)=O)-c1ccc(cc1C(=O)Nc1ccc(cc1)C(N)=N)-c1ccoc1CO
Show InChI InChI=1S/C31H30N4O6/c1-17(2)15-34-29(37)20-6-10-24(26(14-20)31(39)40)23-9-5-19(22-11-12-41-27(22)16-36)13-25(23)30(38)35-21-7-3-18(4-8-21)28(32)33/h3-14,17,36H,15-16H2,1-2H3,(H3,32,33)(H,34,37)(H,35,38)(H,39,40)
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BioCryst Pharmaceuticals



Assay Description
FXa assay reactions were performed in a reaction mixture containing FXa, and test compounds were added at varied concentrations and reactions were in...


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 X


(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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BioCryst Pharmaceuticals



Assay Description
FXa assay reactions were performed in a reaction mixture containing FXa, and test compounds were added at varied concentrations and reactions were in...


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 X


(Homo sapiens (human))
BDBM31499
PNG
(substituted biphenyl derivative, 36am)
Show SMILES CC(C)CNC(=O)c1ccc(c(c1)C(O)=O)-c1ccc(cc1C(=O)Nc1ccc(cc1)C(N)=N)-c1cscc1CN=[N+]=[N-]
Show InChI InChI=1S/C31H29N7O4S/c1-17(2)13-35-29(39)20-6-10-24(26(12-20)31(41)42)23-9-5-19(27-16-43-15-21(27)14-36-38-34)11-25(23)30(40)37-22-7-3-18(4-8-22)28(32)33/h3-12,15-17H,13-14H2,1-2H3,(H3,32,33)(H,35,39)(H,37,40)(H,41,42)
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BioCryst Pharmaceuticals



Assay Description
FXa assay reactions were performed in a reaction mixture containing FXa, and test compounds were added at varied concentrations and reactions were in...


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 X


(Homo sapiens (human))
BDBM31490
PNG
(substituted biphenyl derivative, 36ad)
Show SMILES CC(C)CNC(=O)c1ccc(c(c1)C(O)=O)-c1ccc(cc1C(=O)Nc1ccc(cc1)C(N)=N)-c1ccc[nH]1
Show InChI InChI=1S/C30H29N5O4/c1-17(2)16-34-28(36)20-8-12-23(25(15-20)30(38)39)22-11-7-19(26-4-3-13-33-26)14-24(22)29(37)35-21-9-5-18(6-10-21)27(31)32/h3-15,17,33H,16H2,1-2H3,(H3,31,32)(H,34,36)(H,35,37)(H,38,39)
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BioCryst Pharmaceuticals



Assay Description
FXa assay reactions were performed in a reaction mixture containing FXa, and test compounds were added at varied concentrations and reactions were in...


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 X


(Homo sapiens (human))
BDBM31491
PNG
(substituted biphenyl derivative, 36ae)
Show SMILES CC(C)CNC(=O)c1ccc(c(c1)C(O)=O)-c1ccc(cc1C(=O)Nc1ccc(cc1)C(N)=N)-c1cccn1C
Show InChI InChI=1S/C31H31N5O4/c1-18(2)17-34-29(37)21-9-13-24(26(16-21)31(39)40)23-12-8-20(27-5-4-14-36(27)3)15-25(23)30(38)35-22-10-6-19(7-11-22)28(32)33/h4-16,18H,17H2,1-3H3,(H3,32,33)(H,34,37)(H,35,38)(H,39,40)
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BioCryst Pharmaceuticals



Assay Description
FXa assay reactions were performed in a reaction mixture containing FXa, and test compounds were added at varied concentrations and reactions were in...


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 X


(Homo sapiens (human))
BDBM31489
PNG
(substituted biphenyl derivative, 36ac)
Show SMILES CC(C)CNC(=O)c1ccc(c(c1)C(O)=O)-c1ccc(cc1C(=O)Nc1ccc(cc1)C(N)=N)-c1ccoc1
Show InChI InChI=1S/C30H28N4O5/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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BioCryst Pharmaceuticals



Assay Description
FXa assay reactions were performed in a reaction mixture containing FXa, and test compounds were added at varied concentrations and reactions were in...


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 X


(Homo sapiens (human))
BDBM31497
PNG
(substituted biphenyl derivative, 36ak)
Show SMILES CC(C)CNC(=O)c1ccc(c(c1)C(O)=O)-c1ccc(cc1C(=O)Nc1ccc(cc1)C(N)=N)-c1cscc1CO
Show InChI InChI=1S/C31H30N4O5S/c1-17(2)13-34-29(37)20-6-10-24(26(12-20)31(39)40)23-9-5-19(27-16-41-15-21(27)14-36)11-25(23)30(38)35-22-7-3-18(4-8-22)28(32)33/h3-12,15-17,36H,13-14H2,1-2H3,(H3,32,33)(H,34,37)(H,35,38)(H,39,40)
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BioCryst Pharmaceuticals



Assay Description
FXa assay reactions were performed in a reaction mixture containing FXa, and test compounds were added at varied concentrations and reactions were in...


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 X


(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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BioCryst Pharmaceuticals



Assay Description
FXa assay reactions were performed in a reaction mixture containing FXa, and test compounds were added at varied concentrations and reactions were in...


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 X


(Homo sapiens (human))
BDBM31503
PNG
(substituted biphenyl derivative, 36aq)
Show SMILES CC(C)CNC(=O)c1ccc(c(c1)C(O)=O)-c1ccc(cc1C(=O)Nc1ccc(cc1)C(N)=N)-c1occc1CO
Show InChI InChI=1S/C31H30N4O6/c1-17(2)15-34-29(37)20-6-10-24(26(14-20)31(39)40)23-9-5-19(27-21(16-36)11-12-41-27)13-25(23)30(38)35-22-7-3-18(4-8-22)28(32)33/h3-14,17,36H,15-16H2,1-2H3,(H3,32,33)(H,34,37)(H,35,38)(H,39,40)
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BioCryst Pharmaceuticals



Assay Description
FXa assay reactions were performed in a reaction mixture containing FXa, and test compounds were added at varied concentrations and reactions were in...


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 X


(Homo sapiens (human))
BDBM31502
PNG
(substituted biphenyl derivative, 36ap)
Show SMILES CC(C)CNC(=O)c1ccc(c(c1)C(O)=O)-c1ccc(cc1C(=O)Nc1ccc(cc1)C(N)=N)-c1cocc1CO
Show InChI InChI=1S/C31H30N4O6/c1-17(2)13-34-29(37)20-6-10-24(26(12-20)31(39)40)23-9-5-19(27-16-41-15-21(27)14-36)11-25(23)30(38)35-22-7-3-18(4-8-22)28(32)33/h3-12,15-17,36H,13-14H2,1-2H3,(H3,32,33)(H,34,37)(H,35,38)(H,39,40)
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n/an/a 230n/an/an/an/an/a25



BioCryst Pharmaceuticals



Assay Description
FXa assay reactions were performed in a reaction mixture containing FXa, and test compounds were added at varied concentrations and reactions were in...


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 X


(Homo sapiens (human))
BDBM31492
PNG
(substituted biphenyl derivative, 36af)
Show SMILES CC(C)CNC(=O)c1ccc(c(c1)C(O)=O)-c1ccc(cc1C(=O)Nc1ccc(cc1)C(N)=N)-c1nccs1
Show InChI InChI=1S/C29H27N5O4S/c1-16(2)15-33-26(35)18-5-9-22(24(13-18)29(37)38)21-10-6-19(28-32-11-12-39-28)14-23(21)27(36)34-20-7-3-17(4-8-20)25(30)31/h3-14,16H,15H2,1-2H3,(H3,30,31)(H,33,35)(H,34,36)(H,37,38)
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BioCryst Pharmaceuticals



Assay Description
FXa assay reactions were performed in a reaction mixture containing FXa, and test compounds were added at varied concentrations and reactions were in...


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 X


(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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BioCryst Pharmaceuticals



Assay Description
FXa assay reactions were performed in a reaction mixture containing FXa, and test compounds were added at varied concentrations and reactions were in...


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 X


(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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BioCryst Pharmaceuticals



Assay Description
FXa assay reactions were performed in a reaction mixture containing FXa, and test compounds were added at varied concentrations and reactions were in...


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 X


(Homo sapiens (human))
BDBM31495
PNG
(substituted biphenyl derivative, 36ai)
Show SMILES CC(C)CNC(=O)c1ccc(c(c1)C(O)=O)-c1ccc(cc1C(=O)Nc1ccc(cc1)C(N)=N)-c1ccsc1CO
Show InChI InChI=1S/C31H30N4O5S/c1-17(2)15-34-29(37)20-6-10-24(26(14-20)31(39)40)23-9-5-19(22-11-12-41-27(22)16-36)13-25(23)30(38)35-21-7-3-18(4-8-21)28(32)33/h3-14,17,36H,15-16H2,1-2H3,(H3,32,33)(H,34,37)(H,35,38)(H,39,40)
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n/an/a 450n/an/an/an/an/a25



BioCryst Pharmaceuticals



Assay Description
FXa assay reactions were performed in a reaction mixture containing FXa, and test compounds were added at varied concentrations and reactions were in...


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 X


(Homo sapiens (human))
BDBM31496
PNG
(substituted biphenyl derivative, 36aj)
Show SMILES CC(C)CNC(=O)c1ccc(c(c1)C(O)=O)-c1ccc(cc1C(=O)Nc1ccc(cc1)C(N)=N)-c1sccc1CO
Show InChI InChI=1S/C31H30N4O5S/c1-17(2)15-34-29(37)20-6-10-24(26(14-20)31(39)40)23-9-5-19(27-21(16-36)11-12-41-27)13-25(23)30(38)35-22-7-3-18(4-8-22)28(32)33/h3-14,17,36H,15-16H2,1-2H3,(H3,32,33)(H,34,37)(H,35,38)(H,39,40)
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BioCryst Pharmaceuticals



Assay Description
FXa assay reactions were performed in a reaction mixture containing FXa, and test compounds were added at varied concentrations and reactions were in...


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 X


(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 1.17E+3n/an/an/an/an/a25



BioCryst Pharmaceuticals



Assay Description
FXa assay reactions were performed in a reaction mixture containing FXa, and test compounds were added at varied concentrations and reactions were in...


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 X


(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 1.30E+3n/an/an/an/an/a25



BioCryst Pharmaceuticals



Assay Description
FXa assay reactions were performed in a reaction mixture containing FXa, and test compounds were added at varied concentrations and reactions were in...


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 X


(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 1.50E+3n/an/an/an/an/a25



BioCryst Pharmaceuticals



Assay Description
FXa assay reactions were performed in a reaction mixture containing FXa, and test compounds were added at varied concentrations and reactions were in...


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 X


(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 1.65E+3n/an/an/an/an/a25



BioCryst Pharmaceuticals



Assay Description
FXa assay reactions were performed in a reaction mixture containing FXa, and test compounds were added at varied concentrations and reactions were in...


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 X


(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 1.75E+3n/an/an/an/an/a25



BioCryst Pharmaceuticals



Assay Description
FXa assay reactions were performed in a reaction mixture containing FXa, and test compounds were added at varied concentrations and reactions were in...


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 X


(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 1.90E+3n/an/an/an/an/a25



BioCryst Pharmaceuticals



Assay Description
FXa assay reactions were performed in a reaction mixture containing FXa, and test compounds were added at varied concentrations and reactions were in...


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 X


(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 5.22E+3n/an/an/an/an/a25



BioCryst Pharmaceuticals



Assay Description
FXa assay reactions were performed in a reaction mixture containing FXa, and test compounds were added at varied concentrations and reactions were in...


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 X


(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 6.62E+3n/an/an/an/an/a25



BioCryst Pharmaceuticals



Assay Description
FXa assay reactions were performed in a reaction mixture containing FXa, and test compounds were added at varied concentrations and reactions were in...


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 X


(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 6.63E+3n/an/an/an/an/a25



BioCryst Pharmaceuticals



Assay Description
FXa assay reactions were performed in a reaction mixture containing FXa, and test compounds were added at varied concentrations and reactions were in...


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 X


(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 7.10E+3n/an/an/an/an/a25



BioCryst Pharmaceuticals



Assay Description
FXa assay reactions were performed in a reaction mixture containing FXa, and test compounds were added at varied concentrations and reactions were in...


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 X


(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 7.60E+3n/an/an/an/an/a25



BioCryst Pharmaceuticals



Assay Description
FXa assay reactions were performed in a reaction mixture containing FXa, and test compounds were added at varied concentrations and reactions were in...


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 X


(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 8.14E+3n/an/an/an/an/a25



BioCryst Pharmaceuticals



Assay Description
FXa assay reactions were performed in a reaction mixture containing FXa, and test compounds were added at varied concentrations and reactions were in...


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 X


(Homo sapiens (human))
BDBM31493
PNG
(substituted biphenyl derivative, 36ag)
Show SMILES CC(C)CNC(=O)c1ccc(c(c1)C(O)=O)-c1ccc(Cc2cccs2)cc1C(=O)Nc1ccc(cc1)C(N)=N
Show InChI InChI=1S/C31H30N4O4S/c1-18(2)17-34-29(36)21-8-12-25(27(16-21)31(38)39)24-11-5-19(14-23-4-3-13-40-23)15-26(24)30(37)35-22-9-6-20(7-10-22)28(32)33/h3-13,15-16,18H,14,17H2,1-2H3,(H3,32,33)(H,34,36)(H,35,37)(H,38,39)
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n/an/a 8.15E+3n/an/an/an/an/a25



BioCryst Pharmaceuticals



Assay Description
FXa assay reactions were performed in a reaction mixture containing FXa, and test compounds were added at varied concentrations and reactions were in...


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 X


(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 1.13E+4n/an/an/an/an/a25



BioCryst Pharmaceuticals



Assay Description
FXa assay reactions were performed in a reaction mixture containing FXa, and test compounds were added at varied concentrations and reactions were in...


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 X


(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 1.94E+4n/an/an/an/an/a25



BioCryst Pharmaceuticals



Assay Description
FXa assay reactions were performed in a reaction mixture containing FXa, and test compounds were added at varied concentrations and reactions were in...


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 X


(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 2.70E+4n/an/an/an/an/a25



BioCryst Pharmaceuticals



Assay Description
FXa assay reactions were performed in a reaction mixture containing FXa, and test compounds were added at varied concentrations and reactions were in...


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 X


(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 3.65E+4n/an/an/an/an/a25



BioCryst Pharmaceuticals



Assay Description
FXa assay reactions were performed in a reaction mixture containing FXa, and test compounds were added at varied concentrations and reactions were in...


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 X


(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 4.61E+4n/an/an/an/an/a25



BioCryst Pharmaceuticals



Assay Description
FXa assay reactions were performed in a reaction mixture containing FXa, and test compounds were added at varied concentrations and reactions were in...


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 X


(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 5.00E+4n/an/an/an/an/a25



BioCryst Pharmaceuticals



Assay Description
FXa assay reactions were performed in a reaction mixture containing FXa, and test compounds were added at varied concentrations and reactions were in...


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 X


(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 5.00E+4n/an/an/an/an/a25



BioCryst Pharmaceuticals



Assay Description
FXa assay reactions were performed in a reaction mixture containing FXa, and test compounds were added at varied concentrations and reactions were in...


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 X


(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 5.00E+4n/an/an/an/an/a25



BioCryst Pharmaceuticals



Assay Description
FXa assay reactions were performed in a reaction mixture containing FXa, and test compounds were added at varied concentrations and reactions were in...


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 X


(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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PubMed
n/an/a 5.90E+4n/an/an/an/an/a25



BioCryst Pharmaceuticals



Assay Description
FXa assay reactions were performed in a reaction mixture containing FXa, and test compounds were added at varied concentrations and reactions were in...


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 X


(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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PubMed
n/an/a 1.03E+5n/an/an/an/an/a25



BioCryst Pharmaceuticals



Assay Description
FXa assay reactions were performed in a reaction mixture containing FXa, and test compounds were added at varied concentrations and reactions were in...


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