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Compile Data Set for Download or QSAR

Found 302 hits Enz. Inhib. hit(s) with all data for entry = 9177   
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
Plasma kallikrein


(Homo sapiens (Human))
BDBM416721
PNG
(Racemic 1-(3-(aminomethyl)phenyl)-N-(3-((cycloprop...)
Show SMILES NCc1cccc(c1)-n1nc(cc1C(=O)Nc1cccc(c1)C(OCC1CC1)c1ccccn1)C(F)(F)F
Show InChI InChI=1S/C28H26F3N5O2/c29-28(30,31)25-15-24(36(35-25)22-8-3-5-19(13-22)16-32)27(37)34-21-7-4-6-20(14-21)26(38-17-18-10-11-18)23-9-1-2-12-33-23/h1-9,12-15,18,26H,10-11,16-17,32H2,(H,34,37)
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25.1n/an/an/an/an/an/an/an/a



BioCryst Pharmaceuticals, Inc.

US Patent


Assay Description
The effect of compounds of the invention on human plasma kallikrein activity was determined using the chromogenic substrates. In these experiments, 2...


US Patent US10689346 (2020)


BindingDB Entry DOI: 10.7270/Q22J6FXH
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM439471
PNG
(US10633345, Compound 54e | US10633345, Compound 70...)
Show SMILES CN(C(c1cccc(c1)C#N)c1ccc(F)c(NC(=O)c2cc(nn2-c2cccc(CN)c2)C(F)(F)F)c1)C1CC1
Show InChI InChI=1S/C30H26F4N6O/c1-39(22-9-10-22)28(20-6-2-4-18(12-20)16-35)21-8-11-24(31)25(14-21)37-29(41)26-15-27(30(32,33)34)38-40(26)23-7-3-5-19(13-23)17-36/h2-8,11-15,22,28H,9-10,17,36H2,1H3,(H,37,41)
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25.1n/an/an/an/an/an/an/an/a



BioCryst Pharmaceuticals, Inc.

US Patent


Assay Description
The effect of compounds of the invention on human plasma kallikrein activity was determined using the chromogenic substrates. In these experiments, 2...


US Patent US10689346 (2020)


BindingDB Entry DOI: 10.7270/Q22J6FXH
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM416930
PNG
(1-(3-(Aminomethyl)phenyl)-N-(3-((3-bromo-4-hydroxy...)
Show SMILES NCc1cccc(c1)-n1nc(cc1C(=O)Nc1cccc(c1)C(NCC1CC1)c1ccc(O)c(Br)c1)C(F)(F)F
Show InChI InChI=1S/C29H27BrF3N5O2/c30-23-13-20(9-10-25(23)39)27(35-16-17-7-8-17)19-4-2-5-21(12-19)36-28(40)24-14-26(29(31,32)33)37-38(24)22-6-1-3-18(11-22)15-34/h1-6,9-14,17,27,35,39H,7-8,15-16,34H2,(H,36,40)
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25.1n/an/an/an/an/an/an/an/a



BioCryst Pharmaceuticals, Inc.

US Patent


Assay Description
The effect of compounds of the invention on human plasma kallikrein activity was determined using the chromogenic substrates. In these experiments, 2...


US Patent US10689346 (2020)


BindingDB Entry DOI: 10.7270/Q22J6FXH
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM416725
PNG
(Racemic 1-(3-(aminomethyl)phenyl)-N-(3-((cycloprop...)
Show SMILES NCc1cccc(c1)-n1nc(cc1C(=O)Nc1cccc(c1)C(OCC1CC1)c1cccnc1)C(F)(F)F
Show InChI InChI=1S/C28H26F3N5O2/c29-28(30,31)25-14-24(36(35-25)23-8-1-4-19(12-23)15-32)27(37)34-22-7-2-5-20(13-22)26(38-17-18-9-10-18)21-6-3-11-33-16-21/h1-8,11-14,16,18,26H,9-10,15,17,32H2,(H,34,37)
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25.1n/an/an/an/an/an/an/an/a



BioCryst Pharmaceuticals, Inc.

US Patent


Assay Description
The effect of compounds of the invention on human plasma kallikrein activity was determined using the chromogenic substrates. In these experiments, 2...


US Patent US10689346 (2020)


BindingDB Entry DOI: 10.7270/Q22J6FXH
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM416909
PNG
(1-(3-(aminomethyl)phenyl)-N-(5-(3-cyclopropyl-1-hy...)
Show SMILES NCc1cccc(c1)-n1nc(cc1C(=O)Nc1cc(ccc1F)C(O)(CCC1CC1)c1ccccn1)C(F)(F)F
Show InChI InChI=1S/C29H27F4N5O2/c30-22-10-9-20(28(40,12-11-18-7-8-18)25-6-1-2-13-35-25)15-23(22)36-27(39)24-16-26(29(31,32)33)37-38(24)21-5-3-4-19(14-21)17-34/h1-6,9-10,13-16,18,40H,7-8,11-12,17,34H2,(H,36,39)
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25.1n/an/an/an/an/an/an/an/a



BioCryst Pharmaceuticals, Inc.

US Patent


Assay Description
The effect of compounds of the invention on human plasma kallikrein activity was determined using the chromogenic substrates. In these experiments, 2...


US Patent US10689346 (2020)


BindingDB Entry DOI: 10.7270/Q22J6FXH
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM416933
PNG
(1-(3-(aminomethyl)phenyl)-N-(3-(3-cyclopropyl-1-(2...)
Show SMILES NCc1cccc(c1)-n1nc(cc1C(=O)Nc1cccc(c1)C(CCC1CC1)n1ccccc1=O)C(F)(F)F
Show InChI InChI=1S/C29H28F3N5O2/c30-29(31,32)26-17-25(37(35-26)23-8-3-5-20(15-23)18-33)28(39)34-22-7-4-6-21(16-22)24(13-12-19-10-11-19)36-14-2-1-9-27(36)38/h1-9,14-17,19,24H,10-13,18,33H2,(H,34,39)
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25.1n/an/an/an/an/an/an/an/a



BioCryst Pharmaceuticals, Inc.

US Patent


Assay Description
The effect of compounds of the invention on human plasma kallikrein activity was determined using the chromogenic substrates. In these experiments, 2...


US Patent US10689346 (2020)


BindingDB Entry DOI: 10.7270/Q22J6FXH
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM416725
PNG
(Racemic 1-(3-(aminomethyl)phenyl)-N-(3-((cycloprop...)
Show SMILES NCc1cccc(c1)-n1nc(cc1C(=O)Nc1cccc(c1)C(OCC1CC1)c1cccnc1)C(F)(F)F
Show InChI InChI=1S/C28H26F3N5O2/c29-28(30,31)25-14-24(36(35-25)23-8-1-4-19(12-23)15-32)27(37)34-22-7-2-5-20(13-22)26(38-17-18-9-10-18)21-6-3-11-33-16-21/h1-8,11-14,16,18,26H,9-10,15,17,32H2,(H,34,37)
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25.1n/an/an/an/an/an/an/an/a



BioCryst Pharmaceuticals, Inc.

US Patent


Assay Description
The effect of compounds of the invention on human plasma kallikrein activity was determined using the chromogenic substrates. In these experiments, 2...


US Patent US10689346 (2020)


BindingDB Entry DOI: 10.7270/Q22J6FXH
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM416909
PNG
(1-(3-(aminomethyl)phenyl)-N-(5-(3-cyclopropyl-1-hy...)
Show SMILES NCc1cccc(c1)-n1nc(cc1C(=O)Nc1cc(ccc1F)C(O)(CCC1CC1)c1ccccn1)C(F)(F)F
Show InChI InChI=1S/C29H27F4N5O2/c30-22-10-9-20(28(40,12-11-18-7-8-18)25-6-1-2-13-35-25)15-23(22)36-27(39)24-16-26(29(31,32)33)37-38(24)21-5-3-4-19(14-21)17-34/h1-6,9-10,13-16,18,40H,7-8,11-12,17,34H2,(H,36,39)
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25.1n/an/an/an/an/an/an/an/a



BioCryst Pharmaceuticals, Inc.

US Patent


Assay Description
The effect of compounds of the invention on human plasma kallikrein activity was determined using the chromogenic substrates. In these experiments, 2...


US Patent US10689346 (2020)


BindingDB Entry DOI: 10.7270/Q22J6FXH
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM416936
PNG
(1-(3-(aminomethyl)phenyl)-N-(3-(3-cyclopropyl-1-(2...)
Show SMILES NCc1cccc(c1)-n1nc(cc1C(=O)Nc1cccc(c1)C(CCC1CC1)N1CCCC1=O)C(F)(F)F
Show InChI InChI=1S/C28H30F3N5O2/c29-28(30,31)25-16-24(36(34-25)22-7-1-4-19(14-22)17-32)27(38)33-21-6-2-5-20(15-21)23(12-11-18-9-10-18)35-13-3-8-26(35)37/h1-2,4-7,14-16,18,23H,3,8-13,17,32H2,(H,33,38)
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25.1n/an/an/an/an/an/an/an/a



BioCryst Pharmaceuticals, Inc.

US Patent


Assay Description
The effect of compounds of the invention on human plasma kallikrein activity was determined using the chromogenic substrates. In these experiments, 2...


US Patent US10689346 (2020)


BindingDB Entry DOI: 10.7270/Q22J6FXH
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM416770
PNG
(Racemic 1-(3-(aminomethyl)phenyl)-N-(3-(3-cyclopro...)
Show SMILES NCc1cccc(c1)-n1nc(cc1C(=O)Nc1cccc(c1)C(O)(CCC1CC1)c1cccnc1)C(F)(F)F
Show InChI InChI=1S/C29H28F3N5O2/c30-29(31,32)26-16-25(37(36-26)24-8-1-4-20(14-24)17-33)27(38)35-23-7-2-5-21(15-23)28(39,12-11-19-9-10-19)22-6-3-13-34-18-22/h1-8,13-16,18-19,39H,9-12,17,33H2,(H,35,38)
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25.1n/an/an/an/an/an/an/an/a



BioCryst Pharmaceuticals, Inc.

US Patent


Assay Description
The effect of compounds of the invention on human plasma kallikrein activity was determined using the chromogenic substrates. In these experiments, 2...


US Patent US10689346 (2020)


BindingDB Entry DOI: 10.7270/Q22J6FXH
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM416903
PNG
(Racemic 1-(3-(aminomethyl)phenyl)-N-(5-(3-cyclopro...)
Show SMILES NCc1cccc(c1)-n1nc(cc1C(=O)Nc1cc(ccc1F)C(O)(CCC1CC1)c1ccccc1)C(F)(F)F
Show InChI InChI=1S/C30H28F4N4O2/c31-24-12-11-22(29(40,14-13-19-9-10-19)21-6-2-1-3-7-21)16-25(24)36-28(39)26-17-27(30(32,33)34)37-38(26)23-8-4-5-20(15-23)18-35/h1-8,11-12,15-17,19,40H,9-10,13-14,18,35H2,(H,36,39)
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25.1n/an/an/an/an/an/an/an/a



BioCryst Pharmaceuticals, Inc.

US Patent


Assay Description
The effect of compounds of the invention on human plasma kallikrein activity was determined using the chromogenic substrates. In these experiments, 2...


US Patent US10689346 (2020)


BindingDB Entry DOI: 10.7270/Q22J6FXH
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM416939
PNG
(1-(3-(aminomethyl)phenyl)-N-(5-(3-cyclopropyl-1-(2...)
Show SMILES NCc1cccc(c1)-n1nc(cc1C(=O)Nc1cc(ccc1F)C(CCC1CC1)n1ccccc1=O)C(F)(F)F
Show InChI InChI=1S/C29H27F4N5O2/c30-22-11-10-20(24(12-9-18-7-8-18)37-13-2-1-6-27(37)39)15-23(22)35-28(40)25-16-26(29(31,32)33)36-38(25)21-5-3-4-19(14-21)17-34/h1-6,10-11,13-16,18,24H,7-9,12,17,34H2,(H,35,40)
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25.1n/an/an/an/an/an/an/an/a



BioCryst Pharmaceuticals, Inc.

US Patent


Assay Description
The effect of compounds of the invention on human plasma kallikrein activity was determined using the chromogenic substrates. In these experiments, 2...


US Patent US10689346 (2020)


BindingDB Entry DOI: 10.7270/Q22J6FXH
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM416770
PNG
(Racemic 1-(3-(aminomethyl)phenyl)-N-(3-(3-cyclopro...)
Show SMILES NCc1cccc(c1)-n1nc(cc1C(=O)Nc1cccc(c1)C(O)(CCC1CC1)c1cccnc1)C(F)(F)F
Show InChI InChI=1S/C29H28F3N5O2/c30-29(31,32)26-16-25(37(36-26)24-8-1-4-20(14-24)17-33)27(38)35-23-7-2-5-21(15-23)28(39,12-11-19-9-10-19)22-6-3-13-34-18-22/h1-8,13-16,18-19,39H,9-12,17,33H2,(H,35,38)
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25.1n/an/an/an/an/an/an/an/a



BioCryst Pharmaceuticals, Inc.

US Patent


Assay Description
The effect of compounds of the invention on human plasma kallikrein activity was determined using the chromogenic substrates. In these experiments, 2...


US Patent US10689346 (2020)


BindingDB Entry DOI: 10.7270/Q22J6FXH
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM416903
PNG
(Racemic 1-(3-(aminomethyl)phenyl)-N-(5-(3-cyclopro...)
Show SMILES NCc1cccc(c1)-n1nc(cc1C(=O)Nc1cc(ccc1F)C(O)(CCC1CC1)c1ccccc1)C(F)(F)F
Show InChI InChI=1S/C30H28F4N4O2/c31-24-12-11-22(29(40,14-13-19-9-10-19)21-6-2-1-3-7-21)16-25(24)36-28(39)26-17-27(30(32,33)34)37-38(26)23-8-4-5-20(15-23)18-35/h1-8,11-12,15-17,19,40H,9-10,13-14,18,35H2,(H,36,39)
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25.1n/an/an/an/an/an/an/an/a



BioCryst Pharmaceuticals, Inc.

US Patent


Assay Description
The effect of compounds of the invention on human plasma kallikrein activity was determined using the chromogenic substrates. In these experiments, 2...


US Patent US10689346 (2020)


BindingDB Entry DOI: 10.7270/Q22J6FXH
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM416942
PNG
(1-(3-(aminomethyl)phenyl)-N-(5-(3-cyclopropyl-1-(2...)
Show SMILES NCc1cccc(c1)-n1nc(cc1C(=O)Nc1cc(ccc1F)C(CCC1CC1)n1ccncc1=O)C(F)(F)F
Show InChI InChI=1S/C28H26F4N6O2/c29-21-8-7-19(23(9-6-17-4-5-17)37-11-10-34-16-26(37)39)13-22(21)35-27(40)24-14-25(28(30,31)32)36-38(24)20-3-1-2-18(12-20)15-33/h1-3,7-8,10-14,16-17,23H,4-6,9,15,33H2,(H,35,40)
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25.1n/an/an/an/an/an/an/an/a



BioCryst Pharmaceuticals, Inc.

US Patent


Assay Description
The effect of compounds of the invention on human plasma kallikrein activity was determined using the chromogenic substrates. In these experiments, 2...


US Patent US10689346 (2020)


BindingDB Entry DOI: 10.7270/Q22J6FXH
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM416751
PNG
(Racemic 1-(3-(aminomethyl)phenyl)-N-(3-(3-cyclopro...)
Show SMILES NCc1cccc(c1)-n1nc(cc1C(=O)Nc1cccc(c1)C(O)(CCC1CC1)c1ccccc1)C(F)(F)F
Show InChI InChI=1S/C30H29F3N4O2/c31-30(32,33)27-18-26(37(36-27)25-11-4-6-21(16-25)19-34)28(38)35-24-10-5-9-23(17-24)29(39,15-14-20-12-13-20)22-7-2-1-3-8-22/h1-11,16-18,20,39H,12-15,19,34H2,(H,35,38)
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25.1n/an/an/an/an/an/an/an/a



BioCryst Pharmaceuticals, Inc.

US Patent


Assay Description
The effect of compounds of the invention on human plasma kallikrein activity was determined using the chromogenic substrates. In these experiments, 2...


US Patent US10689346 (2020)


BindingDB Entry DOI: 10.7270/Q22J6FXH
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM416906
PNG
(1-(3-(aminomethyl)phenyl)-N-(5-((cyclopropylmethyl...)
Show SMILES COc1ccc2ccccc2c1C(NCC1CC1)c1ccc(F)c(NC(=O)c2cc(nn2-c2cccc(CN)c2)C(F)(F)F)c1
Show InChI InChI=1S/C34H31F4N5O2/c1-45-29-14-12-22-6-2-3-8-25(22)31(29)32(40-19-20-9-10-20)23-11-13-26(35)27(16-23)41-33(44)28-17-30(34(36,37)38)42-43(28)24-7-4-5-21(15-24)18-39/h2-8,11-17,20,32,40H,9-10,18-19,39H2,1H3,(H,41,44)
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25.1n/an/an/an/an/an/an/an/a



BioCryst Pharmaceuticals, Inc.

US Patent


Assay Description
The effect of compounds of the invention on human plasma kallikrein activity was determined using the chromogenic substrates. In these experiments, 2...


US Patent US10689346 (2020)


BindingDB Entry DOI: 10.7270/Q22J6FXH
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM447737
PNG
(US10689346, Compound 250c | US11203574, Compound 2...)
Show SMILES Fc1ccc(cc1NC(=O)c1cc(nn1-c1cccc(c1)C#N)C(F)(F)F)C(CCC1CC1)Oc1ccccn1
Show InChI InChI=1S/C29H23F4N5O2/c30-22-11-10-20(25(12-9-18-7-8-18)40-27-6-1-2-13-35-27)15-23(22)36-28(39)24-16-26(29(31,32)33)37-38(24)21-5-3-4-19(14-21)17-34/h1-6,10-11,13-16,18,25H,7-9,12H2,(H,36,39)
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25.1n/an/an/an/an/an/an/an/a



BioCryst Pharmaceuticals, Inc.

US Patent


Assay Description
The effect of compounds of the invention on human plasma kallikrein activity was determined using the chromogenic substrates. In these experiments, 2...


US Patent US10689346 (2020)


BindingDB Entry DOI: 10.7270/Q22J6FXH
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM416751
PNG
(Racemic 1-(3-(aminomethyl)phenyl)-N-(3-(3-cyclopro...)
Show SMILES NCc1cccc(c1)-n1nc(cc1C(=O)Nc1cccc(c1)C(O)(CCC1CC1)c1ccccc1)C(F)(F)F
Show InChI InChI=1S/C30H29F3N4O2/c31-30(32,33)27-18-26(37(36-27)25-11-4-6-21(16-25)19-34)28(38)35-24-10-5-9-23(17-24)29(39,15-14-20-12-13-20)22-7-2-1-3-8-22/h1-11,16-18,20,39H,12-15,19,34H2,(H,35,38)
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25.1n/an/an/an/an/an/an/an/a



BioCryst Pharmaceuticals, Inc.

US Patent


Assay Description
The effect of compounds of the invention on human plasma kallikrein activity was determined using the chromogenic substrates. In these experiments, 2...


US Patent US10689346 (2020)


BindingDB Entry DOI: 10.7270/Q22J6FXH
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM416906
PNG
(1-(3-(aminomethyl)phenyl)-N-(5-((cyclopropylmethyl...)
Show SMILES COc1ccc2ccccc2c1C(NCC1CC1)c1ccc(F)c(NC(=O)c2cc(nn2-c2cccc(CN)c2)C(F)(F)F)c1
Show InChI InChI=1S/C34H31F4N5O2/c1-45-29-14-12-22-6-2-3-8-25(22)31(29)32(40-19-20-9-10-20)23-11-13-26(35)27(16-23)41-33(44)28-17-30(34(36,37)38)42-43(28)24-7-4-5-21(15-24)18-39/h2-8,11-17,20,32,40H,9-10,18-19,39H2,1H3,(H,41,44)
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25.1n/an/an/an/an/an/an/an/a



BioCryst Pharmaceuticals, Inc.

US Patent


Assay Description
The effect of compounds of the invention on human plasma kallikrein activity was determined using the chromogenic substrates. In these experiments, 2...


US Patent US10689346 (2020)


BindingDB Entry DOI: 10.7270/Q22J6FXH
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM416948
PNG
(1-(3-(aminomethyl)phenyl)-N-(5-(3-cyclopropyl-1-ph...)
Show SMILES NCc1cccc(c1)-n1nc(cc1C(=O)Nc1cc(ccc1F)C(=CCC1CC1)c1ccccc1)C(F)(F)F
Show InChI InChI=1S/C30H26F4N4O/c31-25-14-12-22(24(13-11-19-9-10-19)21-6-2-1-3-7-21)16-26(25)36-29(39)27-17-28(30(32,33)34)37-38(27)23-8-4-5-20(15-23)18-35/h1-8,12-17,19H,9-11,18,35H2,(H,36,39)/b24-13-
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25.1n/an/an/an/an/an/an/an/a



BioCryst Pharmaceuticals, Inc.

US Patent


Assay Description
The effect of compounds of the invention on human plasma kallikrein activity was determined using the chromogenic substrates. In these experiments, 2...


US Patent US10689346 (2020)


BindingDB Entry DOI: 10.7270/Q22J6FXH
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM416794
PNG
(Racemic 1-(3-(aminomethyl)phenyl)-N-(5-((cycloprop...)
Show SMILES NCc1cccc(c1)-n1nc(cc1C(=O)Nc1cc(ccc1F)C(OCC1CC1)c1cccnc1)C(F)(F)F
Show InChI InChI=1S/C28H25F4N5O2/c29-22-9-8-19(26(39-16-17-6-7-17)20-4-2-10-34-15-20)12-23(22)35-27(38)24-13-25(28(30,31)32)36-37(24)21-5-1-3-18(11-21)14-33/h1-5,8-13,15,17,26H,6-7,14,16,33H2,(H,35,38)
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25.1n/an/an/an/an/an/an/an/a



BioCryst Pharmaceuticals, Inc.

US Patent


Assay Description
The effect of compounds of the invention on human plasma kallikrein activity was determined using the chromogenic substrates. In these experiments, 2...


US Patent US10689346 (2020)


BindingDB Entry DOI: 10.7270/Q22J6FXH
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM416894
PNG
(1-(3-(aminomethyl)phenyl)-N-(5-((4-cyanophenyl)(cy...)
Show SMILES NCc1cccc(c1)-n1nc(cc1C(=O)Nc1cc(ccc1F)C(OCC1CC1)c1ccc(cc1)C#N)C(F)(F)F
Show InChI InChI=1S/C30H25F4N5O2/c31-24-11-10-22(28(41-17-19-4-5-19)21-8-6-18(15-35)7-9-21)13-25(24)37-29(40)26-14-27(30(32,33)34)38-39(26)23-3-1-2-20(12-23)16-36/h1-3,6-14,19,28H,4-5,16-17,36H2,(H,37,40)
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25.1n/an/an/an/an/an/an/an/a



BioCryst Pharmaceuticals, Inc.

US Patent


Assay Description
The effect of compounds of the invention on human plasma kallikrein activity was determined using the chromogenic substrates. In these experiments, 2...


US Patent US10689346 (2020)


BindingDB Entry DOI: 10.7270/Q22J6FXH
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM416794
PNG
(Racemic 1-(3-(aminomethyl)phenyl)-N-(5-((cycloprop...)
Show SMILES NCc1cccc(c1)-n1nc(cc1C(=O)Nc1cc(ccc1F)C(OCC1CC1)c1cccnc1)C(F)(F)F
Show InChI InChI=1S/C28H25F4N5O2/c29-22-9-8-19(26(39-16-17-6-7-17)20-4-2-10-34-15-20)12-23(22)35-27(38)24-13-25(28(30,31)32)36-37(24)21-5-1-3-18(11-21)14-33/h1-5,8-13,15,17,26H,6-7,14,16,33H2,(H,35,38)
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25.1n/an/an/an/an/an/an/an/a



BioCryst Pharmaceuticals, Inc.

US Patent


Assay Description
The effect of compounds of the invention on human plasma kallikrein activity was determined using the chromogenic substrates. In these experiments, 2...


US Patent US10689346 (2020)


BindingDB Entry DOI: 10.7270/Q22J6FXH
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM416894
PNG
(1-(3-(aminomethyl)phenyl)-N-(5-((4-cyanophenyl)(cy...)
Show SMILES NCc1cccc(c1)-n1nc(cc1C(=O)Nc1cc(ccc1F)C(OCC1CC1)c1ccc(cc1)C#N)C(F)(F)F
Show InChI InChI=1S/C30H25F4N5O2/c31-24-11-10-22(28(41-17-19-4-5-19)21-8-6-18(15-35)7-9-21)13-25(24)37-29(40)26-14-27(30(32,33)34)38-39(26)23-3-1-2-20(12-23)16-36/h1-3,6-14,19,28H,4-5,16-17,36H2,(H,37,40)
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25.1n/an/an/an/an/an/an/an/a



BioCryst Pharmaceuticals, Inc.

US Patent


Assay Description
The effect of compounds of the invention on human plasma kallikrein activity was determined using the chromogenic substrates. In these experiments, 2...


US Patent US10689346 (2020)


BindingDB Entry DOI: 10.7270/Q22J6FXH
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM416954
PNG
(1-(3-(aminomethyl)phenyl)-N-(5-(3-cyclopropyl-1-(2...)
Show SMILES NCc1cccc(c1)-n1nc(cc1C(=O)Nc1cc(ccc1F)C(CCC1CC1)N1C(=O)CCC1=O)C(F)(F)F
Show InChI InChI=1S/C28H27F4N5O3/c29-20-8-7-18(22(9-6-16-4-5-16)36-25(38)10-11-26(36)39)13-21(20)34-27(40)23-14-24(28(30,31)32)35-37(23)19-3-1-2-17(12-19)15-33/h1-3,7-8,12-14,16,22H,4-6,9-11,15,33H2,(H,34,40)
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25.1n/an/an/an/an/an/an/an/a



BioCryst Pharmaceuticals, Inc.

US Patent


Assay Description
The effect of compounds of the invention on human plasma kallikrein activity was determined using the chromogenic substrates. In these experiments, 2...


US Patent US10689346 (2020)


BindingDB Entry DOI: 10.7270/Q22J6FXH
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM416841
PNG
(Racemic 1-(3-(aminomethyl)phenyl)-N-(3-(((cyclopro...)
Show SMILES COc1ccc2ccccc2c1C(NCC1CC1)c1cccc(NC(=O)c2cc(nn2-c2cccc(CN)c2)C(F)(F)F)c1
Show InChI InChI=1S/C34H32F3N5O2/c1-44-29-15-14-23-7-2-3-11-27(23)31(29)32(39-20-21-12-13-21)24-8-5-9-25(17-24)40-33(43)28-18-30(34(35,36)37)41-42(28)26-10-4-6-22(16-26)19-38/h2-11,14-18,21,32,39H,12-13,19-20,38H2,1H3,(H,40,43)
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25.1n/an/an/an/an/an/an/an/a



BioCryst Pharmaceuticals, Inc.

US Patent


Assay Description
The effect of compounds of the invention on human plasma kallikrein activity was determined using the chromogenic substrates. In these experiments, 2...


US Patent US10689346 (2020)


BindingDB Entry DOI: 10.7270/Q22J6FXH
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM416900
PNG
(1-(3-(aminomethyl)phenyl)-N-(5-((3-cyanophenyl)(cy...)
Show SMILES NCc1cccc(c1)-n1nc(cc1C(=O)Nc1cc(ccc1F)C(OCC1CC1)c1cccc(c1)C#N)C(F)(F)F
Show InChI InChI=1S/C30H25F4N5O2/c31-24-10-9-22(28(41-17-18-7-8-18)21-5-1-3-19(11-21)15-35)13-25(24)37-29(40)26-14-27(30(32,33)34)38-39(26)23-6-2-4-20(12-23)16-36/h1-6,9-14,18,28H,7-8,16-17,36H2,(H,37,40)
PDB

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25.1n/an/an/an/an/an/an/an/a



BioCryst Pharmaceuticals, Inc.

US Patent


Assay Description
The effect of compounds of the invention on human plasma kallikrein activity was determined using the chromogenic substrates. In these experiments, 2...


US Patent US10689346 (2020)


BindingDB Entry DOI: 10.7270/Q22J6FXH
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM416957
PNG
((+-)-1-(1-aminoisoquinolin-7-yl)-N-(5-(3-cycloprop...)
Show SMILES CS(=O)(=O)NC(CCC1CC1)(c1ccncc1)c1ccc(F)c(NC(=O)c2cc(nn2-c2ccc3ccnc(N)c3c2)C(F)(F)F)c1
Show InChI InChI=1S/C32H29F4N7O3S/c1-47(45,46)42-31(12-8-19-2-3-19,21-10-13-38-14-11-21)22-5-7-25(33)26(16-22)40-30(44)27-18-28(32(34,35)36)41-43(27)23-6-4-20-9-15-39-29(37)24(20)17-23/h4-7,9-11,13-19,42H,2-3,8,12H2,1H3,(H2,37,39)(H,40,44)
PDB

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25.1n/an/an/an/an/an/an/an/a



BioCryst Pharmaceuticals, Inc.

US Patent


Assay Description
The effect of compounds of the invention on human plasma kallikrein activity was determined using the chromogenic substrates. In these experiments, 2...


US Patent US10689346 (2020)


BindingDB Entry DOI: 10.7270/Q22J6FXH
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM416841
PNG
(Racemic 1-(3-(aminomethyl)phenyl)-N-(3-(((cyclopro...)
Show SMILES COc1ccc2ccccc2c1C(NCC1CC1)c1cccc(NC(=O)c2cc(nn2-c2cccc(CN)c2)C(F)(F)F)c1
Show InChI InChI=1S/C34H32F3N5O2/c1-44-29-15-14-23-7-2-3-11-27(23)31(29)32(39-20-21-12-13-21)24-8-5-9-25(17-24)40-33(43)28-18-30(34(35,36)37)41-42(28)26-10-4-6-22(16-26)19-38/h2-11,14-18,21,32,39H,12-13,19-20,38H2,1H3,(H,40,43)
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25.1n/an/an/an/an/an/an/an/a



BioCryst Pharmaceuticals, Inc.

US Patent


Assay Description
The effect of compounds of the invention on human plasma kallikrein activity was determined using the chromogenic substrates. In these experiments, 2...


US Patent US10689346 (2020)


BindingDB Entry DOI: 10.7270/Q22J6FXH
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM416900
PNG
(1-(3-(aminomethyl)phenyl)-N-(5-((3-cyanophenyl)(cy...)
Show SMILES NCc1cccc(c1)-n1nc(cc1C(=O)Nc1cc(ccc1F)C(OCC1CC1)c1cccc(c1)C#N)C(F)(F)F
Show InChI InChI=1S/C30H25F4N5O2/c31-24-10-9-22(28(41-17-18-7-8-18)21-5-1-3-19(11-21)15-35)13-25(24)37-29(40)26-14-27(30(32,33)34)38-39(26)23-6-2-4-20(12-23)16-36/h1-6,9-14,18,28H,7-8,16-17,36H2,(H,37,40)
PDB

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25.1n/an/an/an/an/an/an/an/a



BioCryst Pharmaceuticals, Inc.

US Patent


Assay Description
The effect of compounds of the invention on human plasma kallikrein activity was determined using the chromogenic substrates. In these experiments, 2...


US Patent US10689346 (2020)


BindingDB Entry DOI: 10.7270/Q22J6FXH
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM416960
PNG
(1-(3-(aminomethyl)phenyl)-N-(5-(3-cyclopropyl-1-(2...)
Show SMILES NCc1cccc(c1)-n1nc(cc1C(=O)Nc1cc(ccc1F)C(CCC1CC1)n1ccc(=O)[nH]c1=O)C(F)(F)F
PDB

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25.1n/an/an/an/an/an/an/an/a



BioCryst Pharmaceuticals, Inc.

US Patent


Assay Description
The effect of compounds of the invention on human plasma kallikrein activity was determined using the chromogenic substrates. In these experiments, 2...


US Patent US10689346 (2020)


BindingDB Entry DOI: 10.7270/Q22J6FXH
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM416867
PNG
(1-(3-(aminomethyl)phenyl)-N-(3-((3-aminophenyl)(cy...)
Show SMILES NCc1cccc(c1)-n1nc(cc1C(=O)Nc1cccc(c1)C(OCC1CC1)c1cccc(N)c1)C(F)(F)F
Show InChI InChI=1S/C29H28F3N5O2/c30-29(31,32)26-15-25(37(36-26)24-9-1-4-19(12-24)16-33)28(38)35-23-8-3-6-21(14-23)27(39-17-18-10-11-18)20-5-2-7-22(34)13-20/h1-9,12-15,18,27H,10-11,16-17,33-34H2,(H,35,38)
PDB

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25.1n/an/an/an/an/an/an/an/a



BioCryst Pharmaceuticals, Inc.

US Patent


Assay Description
The effect of compounds of the invention on human plasma kallikrein activity was determined using the chromogenic substrates. In these experiments, 2...


US Patent US10689346 (2020)


BindingDB Entry DOI: 10.7270/Q22J6FXH
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM416856
PNG
(1-(3-(aminomethyl)phenyl)-N-(5-((cyclopropylmethyl...)
Show SMILES NCc1cccc(c1)-n1nc(cc1C(=O)Nc1cc(ccc1F)C(NCC1CC1)c1ccccc1O)C(F)(F)F
Show InChI InChI=1S/C29H27F4N5O2/c30-22-11-10-19(27(35-16-17-8-9-17)21-6-1-2-7-25(21)39)13-23(22)36-28(40)24-14-26(29(31,32)33)37-38(24)20-5-3-4-18(12-20)15-34/h1-7,10-14,17,27,35,39H,8-9,15-16,34H2,(H,36,40)
PDB

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25.1n/an/an/an/an/an/an/an/a



BioCryst Pharmaceuticals, Inc.

US Patent


Assay Description
The effect of compounds of the invention on human plasma kallikrein activity was determined using the chromogenic substrates. In these experiments, 2...


US Patent US10689346 (2020)


BindingDB Entry DOI: 10.7270/Q22J6FXH
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM416867
PNG
(1-(3-(aminomethyl)phenyl)-N-(3-((3-aminophenyl)(cy...)
Show SMILES NCc1cccc(c1)-n1nc(cc1C(=O)Nc1cccc(c1)C(OCC1CC1)c1cccc(N)c1)C(F)(F)F
Show InChI InChI=1S/C29H28F3N5O2/c30-29(31,32)26-15-25(37(36-26)24-9-1-4-19(12-24)16-33)28(38)35-23-8-3-6-21(14-23)27(39-17-18-10-11-18)20-5-2-7-22(34)13-20/h1-9,12-15,18,27H,10-11,16-17,33-34H2,(H,35,38)
PDB

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25.1n/an/an/an/an/an/an/an/a



BioCryst Pharmaceuticals, Inc.

US Patent


Assay Description
The effect of compounds of the invention on human plasma kallikrein activity was determined using the chromogenic substrates. In these experiments, 2...


US Patent US10689346 (2020)


BindingDB Entry DOI: 10.7270/Q22J6FXH
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM416856
PNG
(1-(3-(aminomethyl)phenyl)-N-(5-((cyclopropylmethyl...)
Show SMILES NCc1cccc(c1)-n1nc(cc1C(=O)Nc1cc(ccc1F)C(NCC1CC1)c1ccccc1O)C(F)(F)F
Show InChI InChI=1S/C29H27F4N5O2/c30-22-11-10-19(27(35-16-17-8-9-17)21-6-1-2-7-25(21)39)13-23(22)36-28(40)24-14-26(29(31,32)33)37-38(24)20-5-3-4-18(12-20)15-34/h1-7,10-14,17,27,35,39H,8-9,15-16,34H2,(H,36,40)
PDB

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25.1n/an/an/an/an/an/an/an/a



BioCryst Pharmaceuticals, Inc.

US Patent


Assay Description
The effect of compounds of the invention on human plasma kallikrein activity was determined using the chromogenic substrates. In these experiments, 2...


US Patent US10689346 (2020)


BindingDB Entry DOI: 10.7270/Q22J6FXH
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM416837
PNG
(1-(3-(aminomethyl)phenyl)-N-(3-((cyclopropylmethyl...)
Show SMILES NCc1cccc(c1)-n1nc(cc1C(=O)Nc1cccc(c1)C(NCC1CC1)c1ccccc1O)C(F)(F)F
Show InChI InChI=1S/C29H28F3N5O2/c30-29(31,32)26-15-24(37(36-26)22-8-3-5-19(13-22)16-33)28(39)35-21-7-4-6-20(14-21)27(34-17-18-11-12-18)23-9-1-2-10-25(23)38/h1-10,13-15,18,27,34,38H,11-12,16-17,33H2,(H,35,39)
PDB

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25.1n/an/an/an/an/an/an/an/a



BioCryst Pharmaceuticals, Inc.

US Patent


Assay Description
The effect of compounds of the invention on human plasma kallikrein activity was determined using the chromogenic substrates. In these experiments, 2...


US Patent US10689346 (2020)


BindingDB Entry DOI: 10.7270/Q22J6FXH
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM416747
PNG
(1-(3-(Aminomethyl)phenyl)-N-(5-((cyclopropylmethox...)
Show SMILES NCc1cccc(c1)-n1nc(cc1C(=O)Nc1cc(ccc1F)C(OCC1CC1)c1ccccc1)C(F)(F)F
Show InChI InChI=1S/C29H26F4N4O2/c30-23-12-11-21(27(39-17-18-9-10-18)20-6-2-1-3-7-20)14-24(23)35-28(38)25-15-26(29(31,32)33)36-37(25)22-8-4-5-19(13-22)16-34/h1-8,11-15,18,27H,9-10,16-17,34H2,(H,35,38)
PDB

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25.1n/an/an/an/an/an/an/an/a



BioCryst Pharmaceuticals, Inc.

US Patent


Assay Description
The effect of compounds of the invention on human plasma kallikrein activity was determined using the chromogenic substrates. In these experiments, 2...


US Patent US10689346 (2020)


BindingDB Entry DOI: 10.7270/Q22J6FXH
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM416837
PNG
(1-(3-(aminomethyl)phenyl)-N-(3-((cyclopropylmethyl...)
Show SMILES NCc1cccc(c1)-n1nc(cc1C(=O)Nc1cccc(c1)C(NCC1CC1)c1ccccc1O)C(F)(F)F
Show InChI InChI=1S/C29H28F3N5O2/c30-29(31,32)26-15-24(37(36-26)22-8-3-5-19(13-22)16-33)28(39)35-21-7-4-6-20(14-21)27(34-17-18-11-12-18)23-9-1-2-10-25(23)38/h1-10,13-15,18,27,34,38H,11-12,16-17,33H2,(H,35,39)
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25.1n/an/an/an/an/an/an/an/a



BioCryst Pharmaceuticals, Inc.

US Patent


Assay Description
The effect of compounds of the invention on human plasma kallikrein activity was determined using the chromogenic substrates. In these experiments, 2...


US Patent US10689346 (2020)


BindingDB Entry DOI: 10.7270/Q22J6FXH
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM416747
PNG
(1-(3-(Aminomethyl)phenyl)-N-(5-((cyclopropylmethox...)
Show SMILES NCc1cccc(c1)-n1nc(cc1C(=O)Nc1cc(ccc1F)C(OCC1CC1)c1ccccc1)C(F)(F)F
Show InChI InChI=1S/C29H26F4N4O2/c30-23-12-11-21(27(39-17-18-9-10-18)20-6-2-1-3-7-20)14-24(23)35-28(38)25-15-26(29(31,32)33)36-37(25)22-8-4-5-19(13-22)16-34/h1-8,11-15,18,27H,9-10,16-17,34H2,(H,35,38)
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25.1n/an/an/an/an/an/an/an/a



BioCryst Pharmaceuticals, Inc.

US Patent


Assay Description
The effect of compounds of the invention on human plasma kallikrein activity was determined using the chromogenic substrates. In these experiments, 2...


US Patent US10689346 (2020)


BindingDB Entry DOI: 10.7270/Q22J6FXH
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM416972
PNG
((+-)-1-(3-(aminomethyl)phenyl)-N-(5-((bis(cyclopro...)
Show SMILES NCc1cccc(c1)-n1nc(cc1C(=O)Nc1cc(ccc1F)C(N(CC1CC1)CC1CC1)c1ccccc1)C(F)(F)F
Show InChI InChI=1S/C33H33F4N5O/c34-27-14-13-25(31(24-6-2-1-3-7-24)41(19-21-9-10-21)20-22-11-12-22)16-28(27)39-32(43)29-17-30(33(35,36)37)40-42(29)26-8-4-5-23(15-26)18-38/h1-8,13-17,21-22,31H,9-12,18-20,38H2,(H,39,43)
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25.1n/an/an/an/an/an/an/an/a



BioCryst Pharmaceuticals, Inc.

US Patent


Assay Description
The effect of compounds of the invention on human plasma kallikrein activity was determined using the chromogenic substrates. In these experiments, 2...


US Patent US10689346 (2020)


BindingDB Entry DOI: 10.7270/Q22J6FXH
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM416973
PNG
((+)-N5-(5-(1-amino-1-(4-cyanophenyl)-3-cyclopropyl...)
Show SMILES NCc1cccc(c1)-n1nc(cc1C(=O)Nc1cc(ccc1F)C(N)(CCC1CC1)c1ccc(cc1)C#N)C(N)=O
Show InChI InChI=1S/C31H30FN7O2/c32-25-11-10-23(31(36,13-12-19-4-5-19)22-8-6-20(17-33)7-9-22)15-26(25)37-30(41)28-16-27(29(35)40)38-39(28)24-3-1-2-21(14-24)18-34/h1-3,6-11,14-16,19H,4-5,12-13,18,34,36H2,(H2,35,40)(H,37,41)
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25.1n/an/an/an/an/an/an/an/a



BioCryst Pharmaceuticals, Inc.

US Patent


Assay Description
The effect of compounds of the invention on human plasma kallikrein activity was determined using the chromogenic substrates. In these experiments, 2...


US Patent US10689346 (2020)


BindingDB Entry DOI: 10.7270/Q22J6FXH
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM416974
PNG
((+-)-1-(3-(aminomethyl)phenyl)-N-(5-(3-cyclopropyl...)
Show SMILES CC(C)(C)C(=O)NC(CCC1CC1)(c1cccnc1)c1ccc(F)c(NC(=O)c2cc(nn2-c2cccc(CN)c2)C(F)(F)F)c1
Show InChI InChI=1S/C34H36F4N6O2/c1-32(2,3)31(46)42-33(14-13-21-9-10-21,24-7-5-15-40-20-24)23-11-12-26(35)27(17-23)41-30(45)28-18-29(34(36,37)38)43-44(28)25-8-4-6-22(16-25)19-39/h4-8,11-12,15-18,20-21H,9-10,13-14,19,39H2,1-3H3,(H,41,45)(H,42,46)
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25.1n/an/an/an/an/an/an/an/a



BioCryst Pharmaceuticals, Inc.

US Patent


Assay Description
The effect of compounds of the invention on human plasma kallikrein activity was determined using the chromogenic substrates. In these experiments, 2...


US Patent US10689346 (2020)


BindingDB Entry DOI: 10.7270/Q22J6FXH
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM416975
PNG
((+-)-N-(5-(1-amino-3-cyclopropyl-1-(pyridin-2-yl)p...)
Show SMILES NCc1cccc(c1)-n1nc(cc1C(=O)Nc1cc(ccc1F)C(N)(CCC1CC1)c1ccccn1)C(F)(F)F
Show InChI InChI=1S/C29H28F4N6O/c30-22-10-9-20(28(35,12-11-18-7-8-18)25-6-1-2-13-36-25)15-23(22)37-27(40)24-16-26(29(31,32)33)38-39(24)21-5-3-4-19(14-21)17-34/h1-6,9-10,13-16,18H,7-8,11-12,17,34-35H2,(H,37,40)
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25.1n/an/an/an/an/an/an/an/a



BioCryst Pharmaceuticals, Inc.

US Patent


Assay Description
The effect of compounds of the invention on human plasma kallikrein activity was determined using the chromogenic substrates. In these experiments, 2...


US Patent US10689346 (2020)


BindingDB Entry DOI: 10.7270/Q22J6FXH
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM416977
PNG
((+-)-N-(5-(1-acetamido-3-cyclopropyl-1-(pyridin-3-...)
Show SMILES CC(=O)NC(CCC1CC1)(c1cccnc1)c1ccc(F)c(NC(=O)c2cc(nn2-c2cccc(CN)c2)C(F)(F)F)c1
Show InChI InChI=1S/C31H30F4N6O2/c1-19(42)39-30(12-11-20-7-8-20,23-5-3-13-37-18-23)22-9-10-25(32)26(15-22)38-29(43)27-16-28(31(33,34)35)40-41(27)24-6-2-4-21(14-24)17-36/h2-6,9-10,13-16,18,20H,7-8,11-12,17,36H2,1H3,(H,38,43)(H,39,42)
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25.1n/an/an/an/an/an/an/an/a



BioCryst Pharmaceuticals, Inc.

US Patent


Assay Description
The effect of compounds of the invention on human plasma kallikrein activity was determined using the chromogenic substrates. In these experiments, 2...


US Patent US10689346 (2020)


BindingDB Entry DOI: 10.7270/Q22J6FXH
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM416975
PNG
((+-)-N-(5-(1-amino-3-cyclopropyl-1-(pyridin-2-yl)p...)
Show SMILES NCc1cccc(c1)-n1nc(cc1C(=O)Nc1cc(ccc1F)C(N)(CCC1CC1)c1ccccn1)C(F)(F)F
Show InChI InChI=1S/C29H28F4N6O/c30-22-10-9-20(28(35,12-11-18-7-8-18)25-6-1-2-13-36-25)15-23(22)37-27(40)24-16-26(29(31,32)33)38-39(24)21-5-3-4-19(14-21)17-34/h1-6,9-10,13-16,18H,7-8,11-12,17,34-35H2,(H,37,40)
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25.1n/an/an/an/an/an/an/an/a



BioCryst Pharmaceuticals, Inc.

US Patent


Assay Description
The effect of compounds of the invention on human plasma kallikrein activity was determined using the chromogenic substrates. In these experiments, 2...


US Patent US10689346 (2020)


BindingDB Entry DOI: 10.7270/Q22J6FXH
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM416979
PNG
((+)-1-(3-(aminomethyl)phenyl)-5-(5-((cyclopropylme...)
Show SMILES NCc1cccc(c1)-n1nc(cc1C(=O)Nc1cc(ccc1F)C(NCC1CC1)c1ccccc1)C(O)=O
Show InChI InChI=1S/C29H28FN5O3/c30-23-12-11-21(27(32-17-18-9-10-18)20-6-2-1-3-7-20)14-24(23)33-28(36)26-15-25(29(37)38)34-35(26)22-8-4-5-19(13-22)16-31/h1-8,11-15,18,27,32H,9-10,16-17,31H2,(H,33,36)(H,37,38)
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25.1n/an/an/an/an/an/an/an/a



BioCryst Pharmaceuticals, Inc.

US Patent


Assay Description
The effect of compounds of the invention on human plasma kallikrein activity was determined using the chromogenic substrates. In these experiments, 2...


US Patent US10689346 (2020)


BindingDB Entry DOI: 10.7270/Q22J6FXH
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM416980
PNG
((+-)-1-(3-(aminomethyl)phenyl)-N-(5-(3-cyclopropyl...)
Show SMILES CCC(=O)NC(CCC1CC1)(c1cccnc1)c1ccc(F)c(NC(=O)c2cc(nn2-c2cccc(CN)c2)C(F)(F)F)c1
Show InChI InChI=1S/C32H32F4N6O2/c1-2-29(43)40-31(13-12-20-8-9-20,23-6-4-14-38-19-23)22-10-11-25(33)26(16-22)39-30(44)27-17-28(32(34,35)36)41-42(27)24-7-3-5-21(15-24)18-37/h3-7,10-11,14-17,19-20H,2,8-9,12-13,18,37H2,1H3,(H,39,44)(H,40,43)
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25.1n/an/an/an/an/an/an/an/a



BioCryst Pharmaceuticals, Inc.

US Patent


Assay Description
The effect of compounds of the invention on human plasma kallikrein activity was determined using the chromogenic substrates. In these experiments, 2...


US Patent US10689346 (2020)


BindingDB Entry DOI: 10.7270/Q22J6FXH
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM416981
PNG
((+)-N-(5-(1-amino-3-cyclopropyl-1-(pyridin-3-yl)pr...)
Show SMILES NCc1cccc(c1)-n1nc(cc1C(=O)Nc1cc(ccc1F)C(N)(CCC1CC1)c1cccnc1)C(F)(F)F
Show InChI InChI=1S/C29H28F4N6O/c30-23-9-8-20(28(35,11-10-18-6-7-18)21-4-2-12-36-17-21)14-24(23)37-27(40)25-15-26(29(31,32)33)38-39(25)22-5-1-3-19(13-22)16-34/h1-5,8-9,12-15,17-18H,6-7,10-11,16,34-35H2,(H,37,40)
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25.1n/an/an/an/an/an/an/an/a



BioCryst Pharmaceuticals, Inc.

US Patent


Assay Description
The effect of compounds of the invention on human plasma kallikrein activity was determined using the chromogenic substrates. In these experiments, 2...


US Patent US10689346 (2020)


BindingDB Entry DOI: 10.7270/Q22J6FXH
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM416983
PNG
((+-)-1-(3-(aminomethyl)phenyl)-N-(5-(3-cyclopropyl...)
Show SMILES CC(C)C(=O)NC(CCC1CC1)(c1cccnc1)c1ccc(F)c(NC(=O)c2cc(nn2-c2cccc(CN)c2)C(F)(F)F)c1
Show InChI InChI=1S/C33H34F4N6O2/c1-20(2)30(44)41-32(13-12-21-8-9-21,24-6-4-14-39-19-24)23-10-11-26(34)27(16-23)40-31(45)28-17-29(33(35,36)37)42-43(28)25-7-3-5-22(15-25)18-38/h3-7,10-11,14-17,19-21H,8-9,12-13,18,38H2,1-2H3,(H,40,45)(H,41,44)
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25.1n/an/an/an/an/an/an/an/a



BioCryst Pharmaceuticals, Inc.

US Patent


Assay Description
The effect of compounds of the invention on human plasma kallikrein activity was determined using the chromogenic substrates. In these experiments, 2...


US Patent US10689346 (2020)


BindingDB Entry DOI: 10.7270/Q22J6FXH
More data for this
Ligand-Target Pair
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