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Compile Data Set for Download or QSAR

Found 302 hits Enz. Inhib. hit(s) with all data for entry = 9083   
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))
BDBM416879
PNG
(1-(3-(aminomethyl)phenyl)-N-(3-((3-cyanophenyl)(cy...)
Show SMILES NCc1cccc(c1)-n1nc(cc1C(=O)Nc1cccc(c1)C(NCC1CC1)c1cccc(c1)C#N)C(F)(F)F
Show InChI InChI=1S/C30H27F3N6O/c31-30(32,33)27-15-26(39(38-27)25-9-2-5-21(13-25)17-35)29(40)37-24-8-3-7-23(14-24)28(36-18-19-10-11-19)22-6-1-4-20(12-22)16-34/h1-9,12-15,19,28,36H,10-11,17-18,35H2,(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 (DiaPharma Group, Inc., ...


US Patent US10633345 (2020)


BindingDB Entry DOI: 10.7270/Q26Q218G
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM416882
PNG
(1-(3-(aminomethyl)phenyl)-N-(3-((cyclopropylmethyl...)
Show SMILES COc1ccc(C(NCC2CC2)c2cccc(NC(=O)c3cc(nn3-c3cccc(CN)c3)C(F)(F)F)c2)c2ccccc12
Show InChI InChI=1S/C34H32F3N5O2/c1-44-30-15-14-28(26-10-2-3-11-27(26)30)32(39-20-21-12-13-21)23-7-5-8-24(17-23)40-33(43)29-18-31(34(35,36)37)41-42(29)25-9-4-6-22(16-25)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 (DiaPharma Group, Inc., ...


US Patent US10633345 (2020)


BindingDB Entry DOI: 10.7270/Q26Q218G
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM416884
PNG
(1-(3-(Aminomethyl)phenyl)-N-(3-(((cyclopropylmethy...)
Show SMILES Cc1ccccc1C(NCC1CC1)c1cccc(NC(=O)c2cc(nn2-c2cccc(CN)c2)C(F)(F)F)c1
Show InChI InChI=1S/C30H30F3N5O/c1-19-6-2-3-11-25(19)28(35-18-20-12-13-20)22-8-5-9-23(15-22)36-29(39)26-16-27(30(31,32)33)37-38(26)24-10-4-7-21(14-24)17-34/h2-11,14-16,20,28,35H,12-13,17-18,34H2,1H3,(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 (DiaPharma Group, Inc., ...


US Patent US10633345 (2020)


BindingDB Entry DOI: 10.7270/Q26Q218G
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM416885
PNG
(1-(3-(aminomethyl)phenyl)-N-(5-((3-(aminomethyl)ph...)
Show SMILES NCc1cccc(c1)C(NCC1CC1)c1ccc(F)c(NC(=O)c2cc(nn2-c2cccc(CN)c2)C(F)(F)F)c1
Show InChI InChI=1S/C30H30F4N6O/c31-24-10-9-22(28(37-17-18-7-8-18)21-5-1-3-19(11-21)15-35)13-25(24)38-29(41)26-14-27(30(32,33)34)39-40(26)23-6-2-4-20(12-23)16-36/h1-6,9-14,18,28,37H,7-8,15-17,35-36H2,(H,38,41)
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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 (DiaPharma Group, Inc., ...


US Patent US10633345 (2020)


BindingDB Entry DOI: 10.7270/Q26Q218G
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM416888
PNG
(1-(3-(aminomethyl)phenyl)-N-(3-(3-cyclopropyl-1-me...)
Show SMILES COC(CCC1CC1)(c1cccnc1)c1cccc(NC(=O)c2cc(nn2-c2cccc(CN)c2)C(F)(F)F)c1
Show InChI InChI=1S/C30H30F3N5O2/c1-40-29(13-12-20-10-11-20,23-7-4-14-35-19-23)22-6-3-8-24(16-22)36-28(39)26-17-27(30(31,32)33)37-38(26)25-9-2-5-21(15-25)18-34/h2-9,14-17,19-20H,10-13,18,34H2,1H3,(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 (DiaPharma Group, Inc., ...


US Patent US10633345 (2020)


BindingDB Entry DOI: 10.7270/Q26Q218G
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM416890
PNG
(1-(3-(aminomethyl)phenyl)-N-(3-(((cyclopropylmethy...)
Show SMILES NCc1cccc(c1)-n1nc(cc1C(=O)Nc1cccc(c1)C(NCC1CC1)c1cccc(F)c1)C(F)(F)F
Show InChI InChI=1S/C29H27F4N5O/c30-22-7-2-5-20(13-22)27(35-17-18-10-11-18)21-6-3-8-23(14-21)36-28(39)25-15-26(29(31,32)33)37-38(25)24-9-1-4-19(12-24)16-34/h1-9,12-15,18,27,35H,10-11,16-17,34H2,(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 (DiaPharma Group, Inc., ...


US Patent US10633345 (2020)


BindingDB Entry DOI: 10.7270/Q26Q218G
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 (DiaPharma Group, Inc., ...


US Patent US10633345 (2020)


BindingDB Entry DOI: 10.7270/Q26Q218G
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM416893
PNG
(1-(3-(aminomethyl)phenyl)-N-(3-(((cyclopropylmethy...)
Show SMILES NCc1cccc(c1)-n1nc(cc1C(=O)Nc1cccc(c1)C(NCC1CC1)c1ccc(F)cc1F)C(F)(F)F
Show InChI InChI=1S/C29H26F5N5O/c30-20-9-10-23(24(31)13-20)27(36-16-17-7-8-17)19-4-2-5-21(12-19)37-28(40)25-14-26(29(32,33)34)38-39(25)22-6-1-3-18(11-22)15-35/h1-6,9-14,17,27,36H,7-8,15-16,35H2,(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 (DiaPharma Group, Inc., ...


US Patent US10633345 (2020)


BindingDB Entry DOI: 10.7270/Q26Q218G
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 (DiaPharma Group, Inc., ...


US Patent US10633345 (2020)


BindingDB Entry DOI: 10.7270/Q26Q218G
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM416896
PNG
(1-(3-(aminomethyl)phenyl)-N-(3-(((cyclopropylmethy...)
Show SMILES NCc1cccc(c1)-n1nc(cc1C(=O)Nc1cccc(c1)C(NCC1CC1)c1cc(F)ccc1F)C(F)(F)F
Show InChI InChI=1S/C29H26F5N5O/c30-20-9-10-24(31)23(13-20)27(36-16-17-7-8-17)19-4-2-5-21(12-19)37-28(40)25-14-26(29(32,33)34)38-39(25)22-6-1-3-18(11-22)15-35/h1-6,9-14,17,27,36H,7-8,15-16,35H2,(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 (DiaPharma Group, Inc., ...


US Patent US10633345 (2020)


BindingDB Entry DOI: 10.7270/Q26Q218G
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM416897
PNG
(1-(3-(aminomethyl)phenyl)-N-(5-(3-cyclopropyl-1-hy...)
Show SMILES NCc1cccc(c1)-n1nc(cc1C(=O)Nc1cc(ccc1F)C(O)(CCC1CC1)c1cccnc1)C(F)(F)F
Show InChI InChI=1S/C29H27F4N5O2/c30-23-9-8-20(28(40,11-10-18-6-7-18)21-4-2-12-35-17-21)14-24(23)36-27(39)25-15-26(29(31,32)33)37-38(25)22-5-1-3-19(13-22)16-34/h1-5,8-9,12-15,17-18,40H,6-7,10-11,16,34H2,(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 (DiaPharma Group, Inc., ...


US Patent US10633345 (2020)


BindingDB Entry DOI: 10.7270/Q26Q218G
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM416899
PNG
(1-(3-(aminomethyl)phenyl)-N-(3-(((cyclopropylmethy...)
Show SMILES NCc1cccc(c1)-n1nc(cc1C(=O)Nc1cccc(c1)C(NCC1CC1)c1c(F)cccc1F)C(F)(F)F
Show InChI InChI=1S/C29H26F5N5O/c30-22-8-3-9-23(31)26(22)27(36-16-17-10-11-17)19-5-2-6-20(13-19)37-28(40)24-14-25(29(32,33)34)38-39(24)21-7-1-4-18(12-21)15-35/h1-9,12-14,17,27,36H,10-11,15-16,35H2,(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 (DiaPharma Group, Inc., ...


US Patent US10633345 (2020)


BindingDB Entry DOI: 10.7270/Q26Q218G
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)
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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 (DiaPharma Group, Inc., ...


US Patent US10633345 (2020)


BindingDB Entry DOI: 10.7270/Q26Q218G
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM416902
PNG
(1-(3-(aminomethyl)phenyl)-N-(3-((2-chlorophenyl)((...)
Show SMILES NCc1cccc(c1)-n1nc(cc1C(=O)Nc1cccc(c1)C(NCC1CC1)c1ccccc1Cl)C(F)(F)F
Show InChI InChI=1S/C29H27ClF3N5O/c30-24-10-2-1-9-23(24)27(35-17-18-11-12-18)20-6-4-7-21(14-20)36-28(39)25-15-26(29(31,32)33)37-38(25)22-8-3-5-19(13-22)16-34/h1-10,13-15,18,27,35H,11-12,16-17,34H2,(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 (DiaPharma Group, Inc., ...


US Patent US10633345 (2020)


BindingDB Entry DOI: 10.7270/Q26Q218G
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 (DiaPharma Group, Inc., ...


US Patent US10633345 (2020)


BindingDB Entry DOI: 10.7270/Q26Q218G
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM416902
PNG
(1-(3-(aminomethyl)phenyl)-N-(3-((2-chlorophenyl)((...)
Show SMILES NCc1cccc(c1)-n1nc(cc1C(=O)Nc1cccc(c1)C(NCC1CC1)c1ccccc1Cl)C(F)(F)F
Show InChI InChI=1S/C29H27ClF3N5O/c30-24-10-2-1-9-23(24)27(35-17-18-11-12-18)20-6-4-7-21(14-20)36-28(39)25-15-26(29(31,32)33)37-38(25)22-8-3-5-19(13-22)16-34/h1-10,13-15,18,27,35H,11-12,16-17,34H2,(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 (DiaPharma Group, Inc., ...


US Patent US10633345 (2020)


BindingDB Entry DOI: 10.7270/Q26Q218G
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 (DiaPharma Group, Inc., ...


US Patent US10633345 (2020)


BindingDB Entry DOI: 10.7270/Q26Q218G
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM416908
PNG
(1-(3-(aminomethyl)phenyl)-N-(3-((2,4-dichloropheny...)
Show SMILES NCc1cccc(c1)-n1nc(cc1C(=O)Nc1cccc(c1)C(NCC1CC1)c1ccc(Cl)cc1Cl)C(F)(F)F
Show InChI InChI=1S/C29H26Cl2F3N5O/c30-20-9-10-23(24(31)13-20)27(36-16-17-7-8-17)19-4-2-5-21(12-19)37-28(40)25-14-26(29(32,33)34)38-39(25)22-6-1-3-18(11-22)15-35/h1-6,9-14,17,27,36H,7-8,15-16,35H2,(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 (DiaPharma Group, Inc., ...


US Patent US10633345 (2020)


BindingDB Entry DOI: 10.7270/Q26Q218G
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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US Patent
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 (DiaPharma Group, Inc., ...


US Patent US10633345 (2020)


BindingDB Entry DOI: 10.7270/Q26Q218G
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM439493
PNG
(US10633345, Compound 201f)
Show SMILES Cc1ccc(C(NCCC2CC2)c2cccc(NC(=O)c3cc(nn3-c3cccc(CN)c3)C(F)(F)F)c2)c(C)c1
Show InChI InChI=1S/C32H34F3N5O/c1-20-9-12-27(21(2)15-20)30(37-14-13-22-10-11-22)24-6-4-7-25(17-24)38-31(41)28-18-29(32(33,34)35)39-40(28)26-8-3-5-23(16-26)19-36/h3-9,12,15-18,22,30,37H,10-11,13-14,19,36H2,1-2H3,(H,38,41)
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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 (DiaPharma Group, Inc., ...


US Patent US10633345 (2020)


BindingDB Entry DOI: 10.7270/Q26Q218G
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM416912
PNG
(1-(3-(aminomethyl)phenyl)-N-(3-(((cyclopropylmethy...)
Show SMILES Cc1ccc(C)c(c1)C(NCC1CC1)c1cccc(NC(=O)c2cc(nn2-c2cccc(CN)c2)C(F)(F)F)c1
Show InChI InChI=1S/C31H32F3N5O/c1-19-9-10-20(2)26(13-19)29(36-18-21-11-12-21)23-6-4-7-24(15-23)37-30(40)27-16-28(31(32,33)34)38-39(27)25-8-3-5-22(14-25)17-35/h3-10,13-16,21,29,36H,11-12,17-18,35H2,1-2H3,(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 (DiaPharma Group, Inc., ...


US Patent US10633345 (2020)


BindingDB Entry DOI: 10.7270/Q26Q218G
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM416775
PNG
(1-(3-(aminomethyl)phenyl)-N-(3-((cyclopropylmethox...)
Show SMILES NCc1cccc(c1)-n1nc(cc1C(=O)Nc1cccc(c1)C(OCC1CC1)c1ccccc1)C(F)(F)F
Show InChI InChI=1S/C29H27F3N4O2/c30-29(31,32)26-16-25(36(35-26)24-11-4-6-20(14-24)17-33)28(37)34-23-10-5-9-22(15-23)27(38-18-19-12-13-19)21-7-2-1-3-8-21/h1-11,14-16,19,27H,12-13,17-18,33H2,(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 (DiaPharma Group, Inc., ...


US Patent US10633345 (2020)


BindingDB Entry DOI: 10.7270/Q26Q218G
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM416773
PNG
(1-(3-(aminomethyl)phenyl)-N-(5-(((cyclopropylmethy...)
Show SMILES NCc1cccc(c1)-n1nc(cc1C(=O)Nc1cc(ccc1F)C(NCC1CC1)c1ccccc1)C(F)(F)F
Show InChI InChI=1S/C29H27F4N5O/c30-23-12-11-21(27(35-17-18-9-10-18)20-6-2-1-3-7-20)14-24(23)36-28(39)25-15-26(29(31,32)33)37-38(25)22-8-4-5-19(13-22)16-34/h1-8,11-15,18,27,35H,9-10,16-17,34H2,(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 (DiaPharma Group, Inc., ...


US Patent US10633345 (2020)


BindingDB Entry DOI: 10.7270/Q26Q218G
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM416775
PNG
(1-(3-(aminomethyl)phenyl)-N-(3-((cyclopropylmethox...)
Show SMILES NCc1cccc(c1)-n1nc(cc1C(=O)Nc1cccc(c1)C(OCC1CC1)c1ccccc1)C(F)(F)F
Show InChI InChI=1S/C29H27F3N4O2/c30-29(31,32)26-16-25(36(35-26)24-11-4-6-20(14-24)17-33)28(37)34-23-10-5-9-22(15-23)27(38-18-19-12-13-19)21-7-2-1-3-8-21/h1-11,14-16,19,27H,12-13,17-18,33H2,(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 (DiaPharma Group, Inc., ...


US Patent US10633345 (2020)


BindingDB Entry DOI: 10.7270/Q26Q218G
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM416773
PNG
(1-(3-(aminomethyl)phenyl)-N-(5-(((cyclopropylmethy...)
Show SMILES NCc1cccc(c1)-n1nc(cc1C(=O)Nc1cc(ccc1F)C(NCC1CC1)c1ccccc1)C(F)(F)F
Show InChI InChI=1S/C29H27F4N5O/c30-23-12-11-21(27(35-17-18-9-10-18)20-6-2-1-3-7-20)14-24(23)36-28(39)25-15-26(29(31,32)33)37-38(25)22-8-4-5-19(13-22)16-34/h1-8,11-15,18,27,35H,9-10,16-17,34H2,(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 (DiaPharma Group, Inc., ...


US Patent US10633345 (2020)


BindingDB Entry DOI: 10.7270/Q26Q218G
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM416843
PNG
(1-(3-(aminomethyl)phenyl)-N-(3-((4-aminophenyl)(cy...)
Show SMILES NCc1cccc(c1)-n1nc(cc1C(=O)Nc1cccc(c1)C(NCC1CC1)c1ccc(N)cc1)C(F)(F)F
Show InChI InChI=1S/C29H29F3N6O/c30-29(31,32)26-15-25(38(37-26)24-6-1-3-19(13-24)16-33)28(39)36-23-5-2-4-21(14-23)27(35-17-18-7-8-18)20-9-11-22(34)12-10-20/h1-6,9-15,18,27,35H,7-8,16-17,33-34H2,(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 (DiaPharma Group, Inc., ...


US Patent US10633345 (2020)


BindingDB Entry DOI: 10.7270/Q26Q218G
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM416897
PNG
(1-(3-(aminomethyl)phenyl)-N-(5-(3-cyclopropyl-1-hy...)
Show SMILES NCc1cccc(c1)-n1nc(cc1C(=O)Nc1cc(ccc1F)C(O)(CCC1CC1)c1cccnc1)C(F)(F)F
Show InChI InChI=1S/C29H27F4N5O2/c30-23-9-8-20(28(40,11-10-18-6-7-18)21-4-2-12-35-17-21)14-24(23)36-27(39)25-15-26(29(31,32)33)37-38(25)22-5-1-3-19(13-22)16-34/h1-5,8-9,12-15,17-18,40H,6-7,10-11,16,34H2,(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 (DiaPharma Group, Inc., ...


US Patent US10633345 (2020)


BindingDB Entry DOI: 10.7270/Q26Q218G
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM416843
PNG
(1-(3-(aminomethyl)phenyl)-N-(3-((4-aminophenyl)(cy...)
Show SMILES NCc1cccc(c1)-n1nc(cc1C(=O)Nc1cccc(c1)C(NCC1CC1)c1ccc(N)cc1)C(F)(F)F
Show InChI InChI=1S/C29H29F3N6O/c30-29(31,32)26-15-25(38(37-26)24-6-1-3-19(13-24)16-33)28(39)36-23-5-2-4-21(14-23)27(35-17-18-7-8-18)20-9-11-22(34)12-10-20/h1-6,9-15,18,27,35H,7-8,16-17,33-34H2,(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 (DiaPharma Group, Inc., ...


US Patent US10633345 (2020)


BindingDB Entry DOI: 10.7270/Q26Q218G
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM416897
PNG
(1-(3-(aminomethyl)phenyl)-N-(5-(3-cyclopropyl-1-hy...)
Show SMILES NCc1cccc(c1)-n1nc(cc1C(=O)Nc1cc(ccc1F)C(O)(CCC1CC1)c1cccnc1)C(F)(F)F
Show InChI InChI=1S/C29H27F4N5O2/c30-23-9-8-20(28(40,11-10-18-6-7-18)21-4-2-12-35-17-21)14-24(23)36-27(39)25-15-26(29(31,32)33)37-38(25)22-5-1-3-19(13-22)16-34/h1-5,8-9,12-15,17-18,40H,6-7,10-11,16,34H2,(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 (DiaPharma Group, Inc., ...


US Patent US10633345 (2020)


BindingDB Entry DOI: 10.7270/Q26Q218G
More data for this
Ligand-Target Pair
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 (DiaPharma Group, Inc., ...


US Patent US10633345 (2020)


BindingDB Entry DOI: 10.7270/Q26Q218G
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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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 (DiaPharma Group, Inc., ...


US Patent US10633345 (2020)


BindingDB Entry DOI: 10.7270/Q26Q218G
More data for this
Ligand-Target Pair
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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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 (DiaPharma Group, Inc., ...


US Patent US10633345 (2020)


BindingDB Entry DOI: 10.7270/Q26Q218G
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 (DiaPharma Group, Inc., ...


US Patent US10633345 (2020)


BindingDB Entry DOI: 10.7270/Q26Q218G
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 (DiaPharma Group, Inc., ...


US Patent US10633345 (2020)


BindingDB Entry DOI: 10.7270/Q26Q218G
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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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 (DiaPharma Group, Inc., ...


US Patent US10633345 (2020)


BindingDB Entry DOI: 10.7270/Q26Q218G
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 (DiaPharma Group, Inc., ...


US Patent US10633345 (2020)


BindingDB Entry DOI: 10.7270/Q26Q218G
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 (DiaPharma Group, Inc., ...


US Patent US10633345 (2020)


BindingDB Entry DOI: 10.7270/Q26Q218G
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 (DiaPharma Group, Inc., ...


US Patent US10633345 (2020)


BindingDB Entry DOI: 10.7270/Q26Q218G
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 (DiaPharma Group, Inc., ...


US Patent US10633345 (2020)


BindingDB Entry DOI: 10.7270/Q26Q218G
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 (DiaPharma Group, Inc., ...


US Patent US10633345 (2020)


BindingDB Entry DOI: 10.7270/Q26Q218G
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 (DiaPharma Group, Inc., ...


US Patent US10633345 (2020)


BindingDB Entry DOI: 10.7270/Q26Q218G
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 (DiaPharma Group, Inc., ...


US Patent US10633345 (2020)


BindingDB Entry DOI: 10.7270/Q26Q218G
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 (DiaPharma Group, Inc., ...


US Patent US10633345 (2020)


BindingDB Entry DOI: 10.7270/Q26Q218G
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 (DiaPharma Group, Inc., ...


US Patent US10633345 (2020)


BindingDB Entry DOI: 10.7270/Q26Q218G
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 (DiaPharma Group, Inc., ...


US Patent US10633345 (2020)


BindingDB Entry DOI: 10.7270/Q26Q218G
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 (DiaPharma Group, Inc., ...


US Patent US10633345 (2020)


BindingDB Entry DOI: 10.7270/Q26Q218G
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 (DiaPharma Group, Inc., ...


US Patent US10633345 (2020)


BindingDB Entry DOI: 10.7270/Q26Q218G
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 (DiaPharma Group, Inc., ...


US Patent US10633345 (2020)


BindingDB Entry DOI: 10.7270/Q26Q218G
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM416945
PNG
(US10329260, Compound 250c | US10633345, Compound 2...)
Show SMILES NCc1cccc(c1)-n1nc(cc1C(=O)Nc1cc(ccc1F)C(CCC1CC1)Oc1ccccn1)C(F)(F)F
Show InChI InChI=1S/C29H27F4N5O2/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,7-9,12,17,34H2,(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 (DiaPharma Group, Inc., ...


US Patent US10633345 (2020)


BindingDB Entry DOI: 10.7270/Q26Q218G
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 (DiaPharma Group, Inc., ...


US Patent US10633345 (2020)


BindingDB Entry DOI: 10.7270/Q26Q218G
More data for this
Ligand-Target Pair
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