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Compile Data Set for Download or QSAR

Found 302 hits from BioCryst Pharmaceuticals, Inc.   
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
Plasma kallikrein


(Homo sapiens (Human))
BDBM417008
PNG
((+)-N-(5-(1-amino-1-(6-cyanopyridin-2-yl)-3-cyclop...)
Show SMILES NCc1cccc(c1)-n1nc(cc1C(=O)Nc1cc(ccc1F)C(N)(CCC1CC1)c1cccc(n1)C#N)C(F)(F)F
Show InChI InChI=1S/C30H27F4N7O/c31-23-10-9-20(29(37,12-11-18-7-8-18)26-6-2-4-21(17-36)38-26)14-24(23)39-28(42)25-15-27(30(32,33)34)40-41(25)22-5-1-3-19(13-22)16-35/h1-6,9-10,13-15,18H,7-8,11-12,16,35,37H2,(H,39,42)
PDB

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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 US10329260 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM417009
PNG
(1-(3-carbamimidoylphenyl)-N-(5-((+-)-3-cyclopropyl...)
Show SMILES CC(C)(C)[S@@](=O)NC(CCC1CC1)(c1cccnc1)c1ccc(F)c(NC(=O)c2cc(nn2-c2cccc(c2)C(N)=N)C(F)(F)F)c1
Show InChI InChI=1S/C33H35F4N7O2S/c1-31(2,3)47(46)43-32(14-13-20-9-10-20,23-7-5-15-40-19-23)22-11-12-25(34)26(17-22)41-30(45)27-18-28(33(35,36)37)42-44(27)24-8-4-6-21(16-24)29(38)39/h4-8,11-12,15-20,43H,9-10,13-14H2,1-3H3,(H3,38,39)(H,41,45)/t32?,47-/m1/s1
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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 US10329260 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM417012
PNG
((+)-N-(5-(1-amino-1-(4-cyanophenyl)-3-cyclopropylp...)
Show SMILES NC(=N)c1cccc(c1)-n1nc(cc1C(=O)Nc1cc(ccc1F)C(N)(CCC1CC1)c1ccc(cc1)C#N)C(F)(F)F
Show InChI InChI=1S/C31H27F4N7O/c32-24-11-10-22(30(39,13-12-18-4-5-18)21-8-6-19(17-36)7-9-21)15-25(24)40-29(43)26-16-27(31(33,34)35)41-42(26)23-3-1-2-20(14-23)28(37)38/h1-3,6-11,14-16,18H,4-5,12-13,39H2,(H3,37,38)(H,40,43)
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 (DiaPharma Group, Inc., ...


US Patent US10329260 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM417013
PNG
(1-(1-aminoisoquinolin-7-yl)-N-(5-(3-cyclopropyl-1-...)
Show SMILES Nc1nccc2ccc(cc12)-n1nc(cc1C(=O)Nc1cc(ccc1F)C(CCC1CC1)n1ccccc1=O)C(F)(F)F
Show InChI InChI=1S/C31H26F4N6O2/c32-23-10-8-20(25(11-6-18-4-5-18)40-14-2-1-3-28(40)42)15-24(23)38-30(43)26-17-27(31(33,34)35)39-41(26)21-9-7-19-12-13-37-29(36)22(19)16-21/h1-3,7-10,12-18,25H,4-6,11H2,(H2,36,37)(H,38,43)
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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 US10329260 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM417014
PNG
((+-)-N-(5-(1-amino-1-(3-carbamoylphenyl)-3-cyclopr...)
Show SMILES NCc1cccc(c1)-n1nc(cc1C(=O)Nc1cc(ccc1F)C(N)(CCC1CC1)c1cccc(c1)C(N)=O)C(F)(F)F
Show InChI InChI=1S/C31H30F4N6O2/c32-24-10-9-22(30(38,12-11-18-7-8-18)21-5-2-4-20(14-21)28(37)42)15-25(24)39-29(43)26-16-27(31(33,34)35)40-41(26)23-6-1-3-19(13-23)17-36/h1-6,9-10,13-16,18H,7-8,11-12,17,36,38H2,(H2,37,42)(H,39,43)
PDB

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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 US10329260 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM417016
PNG
((+)-1-(3-(aminomethyl)phenyl)-N-(5-(3-cyclopropyl-...)
Show SMILES NCc1cccc(c1)-n1nc(cc1C(=O)Nc1cc(ccc1F)[C@H](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)/t24-/m0/s1
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 (DiaPharma Group, Inc., ...


US Patent US10329260 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM417018
PNG
((+)-N-(5-(1-amino-3-cyclopropyl-1-(pyridin-3-yl)pr...)
Show SMILES NC(=N)c1cccc(c1)-n1nc(cc1C(=O)Nc1cc(ccc1F)C(N)(CCC1CC1)c1cccnc1)C(F)(F)F
Show InChI InChI=1S/C29H27F4N7O/c30-22-9-8-19(28(36,11-10-17-6-7-17)20-4-2-12-37-16-20)14-23(22)38-27(41)24-15-25(29(31,32)33)39-40(24)21-5-1-3-18(13-21)26(34)35/h1-5,8-9,12-17H,6-7,10-11,36H2,(H3,34,35)(H,38,41)
PDB

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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 US10329260 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM417019
PNG
((+)-1-(3-(aminomethyl)phenyl)-N-(5-(3-cyclopropyl-...)
Show SMILES NCc1cccc(c1)-n1nc(cc1C(=O)Nc1cc(ccc1F)[C@@H](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)/t24-/m1/s1
PDB

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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 US10329260 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM417020
PNG
(HCl salt of (+-)-1-(3-carbamimidoylphenyl)-N-(5-((...)
Show SMILES NC(=N)c1cccc(c1)-n1nc(cc1C(=O)Nc1cc(ccc1F)[C@@H](NCC1CC1)c1ccccc1)C(F)(F)F
Show InChI InChI=1S/C29H26F4N6O/c30-22-12-11-19(26(36-16-17-9-10-17)18-5-2-1-3-6-18)14-23(22)37-28(40)24-15-25(29(31,32)33)38-39(24)21-8-4-7-20(13-21)27(34)35/h1-8,11-15,17,26,36H,9-10,16H2,(H3,34,35)(H,37,40)/t26-/m0/s1
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 (DiaPharma Group, Inc., ...


US Patent US10329260 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM417021
PNG
((+)-5-(1-amino-1-(3-(1-(3-(aminomethyl)phenyl)-3-(...)
Show SMILES NCc1cccc(c1)-n1nc(cc1C(=O)Nc1cc(ccc1F)C(N)(CCC1CC1)c1ccc(nc1)C(N)=O)C(F)(F)F
Show InChI InChI=1S/C30H29F4N7O2/c31-22-8-6-19(29(37,11-10-17-4-5-17)20-7-9-23(27(36)42)38-16-20)13-24(22)39-28(43)25-14-26(30(32,33)34)40-41(25)21-3-1-2-18(12-21)15-35/h1-3,6-9,12-14,16-17H,4-5,10-11,15,35,37H2,(H2,36,42)(H,39,43)
PDB

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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 US10329260 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM417022
PNG
((+)-1-(1-aminoisoquinolin-7-yl)-N-(5-((cyclopropyl...)
Show SMILES Nc1nccc2ccc(cc12)-n1nc(cc1C(=O)Nc1cc(ccc1F)C(NCC1CC1)c1ccncc1)C(F)(F)F
Show InChI InChI=1S/C30H25F4N7O/c31-23-6-4-20(27(38-16-17-1-2-17)19-7-10-36-11-8-19)13-24(23)39-29(42)25-15-26(30(32,33)34)40-41(25)21-5-3-18-9-12-37-28(35)22(18)14-21/h3-15,17,27,38H,1-2,16H2,(H2,35,37)(H,39,42)
PDB

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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 US10329260 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM417023
PNG
((+)-N-(5-(1-amino-1-(4-carbamoylphenyl)-3-cyclopro...)
Show SMILES NCc1cccc(c1)-n1nc(cc1C(=O)Nc1cc(ccc1F)C(N)(CCC1CC1)c1ccc(cc1)C(N)=O)C(F)(F)F
Show InChI InChI=1S/C31H30F4N6O2/c32-24-11-10-22(30(38,13-12-18-4-5-18)21-8-6-20(7-9-21)28(37)42)15-25(24)39-29(43)26-16-27(31(33,34)35)40-41(26)23-3-1-2-19(14-23)17-36/h1-3,6-11,14-16,18H,4-5,12-13,17,36,38H2,(H2,37,42)(H,39,43)
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 (DiaPharma Group, Inc., ...


US Patent US10329260 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM417024
PNG
((+)-N-(5-(1-amino-3-cyclopropyl-1-(pyridin-4-yl)pr...)
Show SMILES NCc1cccc(c1)-n1nc(cc1C(=O)Nc1cc(ccc1F)C(N)(CCC1CC1)c1ccncc1)C(F)(F)F
Show InChI InChI=1S/C29H28F4N6O/c30-23-7-6-21(28(35,11-8-18-4-5-18)20-9-12-36-13-10-20)15-24(23)37-27(40)25-16-26(29(31,32)33)38-39(25)22-3-1-2-19(14-22)17-34/h1-3,6-7,9-10,12-16,18H,4-5,8,11,17,34-35H2,(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 (DiaPharma Group, Inc., ...


US Patent US10329260 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM417025
PNG
((+)-1-(3-(aminomethyl)phenyl)-N-(5-(3-cyclopropyl-...)
Show SMILES NCc1cccc(c1)-n1nc(cc1C(=O)Nc1cc(ccc1F)C(CCC1CC1)N1CCCCC1=O)C(F)(F)F
Show InChI InChI=1S/C29H31F4N5O2/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/h3-5,10-11,14-16,18,24H,1-2,6-9,12-13,17,34H2,(H,35,40)
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 (DiaPharma Group, Inc., ...


US Patent US10329260 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM417026
PNG
((+-)-1-(3-(aminomethyl)phenyl)-N5-(5-((cyclopropyl...)
Show SMILES NCc1cccc(c1)-n1nc(cc1C(=O)Nc1cc(ccc1F)C(NCC1CC1)c1ccccc1)C(N)=O
Show InChI InChI=1S/C29H29FN6O2/c30-23-12-11-21(27(33-17-18-9-10-18)20-6-2-1-3-7-20)14-24(23)34-29(38)26-15-25(28(32)37)35-36(26)22-8-4-5-19(13-22)16-31/h1-8,11-15,18,27,33H,9-10,16-17,31H2,(H2,32,37)(H,34,38)
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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 US10329260 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM417027
PNG
(1-(3-(aminomethyl)phenyl)-N-(5-((+-)-3-cyclopropyl...)
Show SMILES CC(C)(C)[S@@](=O)NC(CCC1CC1)(c1cccnc1)c1ccc(F)c(NC(=O)c2cc(nn2-c2cccc(CN)c2)C(F)(F)F)c1
Show InChI InChI=1S/C33H36F4N6O2S/c1-31(2,3)46(45)42-32(14-13-21-9-10-21,24-7-5-15-39-20-24)23-11-12-26(34)27(17-23)40-30(44)28-18-29(33(35,36)37)41-43(28)25-8-4-6-22(16-25)19-38/h4-8,11-12,15-18,20-21,42H,9-10,13-14,19,38H2,1-3H3,(H,40,44)/t32?,46-/m1/s1
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 (DiaPharma Group, Inc., ...


US Patent US10329260 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM417028
PNG
(1-(1-aminoisoquinolin-7-yl)-N-(5-(3-cyclopropyl-1-...)
Show SMILES Nc1nccc2ccc(cc12)-n1nc(cc1C(=O)Nc1cc(ccc1F)C(CCC1CC1)n1ccncc1=O)C(F)(F)F
Show InChI InChI=1S/C30H25F4N7O2/c31-22-7-5-19(24(8-3-17-1-2-17)40-12-11-36-16-27(40)42)13-23(22)38-29(43)25-15-26(30(32,33)34)39-41(25)20-6-4-18-9-10-37-28(35)21(18)14-20/h4-7,9-17,24H,1-3,8H2,(H2,35,37)(H,38,43)
PDB

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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 US10329260 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM417031
PNG
((+)-N-(5-(1-amino-3-cyclopropyl-1-(2-methylpyridin...)
Show SMILES Cc1cc(ccn1)C(N)(CCC1CC1)c1ccc(F)c(NC(=O)c2cc(nn2-c2cccc(CN)c2)C(F)(F)F)c1
Show InChI InChI=1S/C30H30F4N6O/c1-18-13-22(10-12-37-18)29(36,11-9-19-5-6-19)21-7-8-24(31)25(15-21)38-28(41)26-16-27(30(32,33)34)39-40(26)23-4-2-3-20(14-23)17-35/h2-4,7-8,10,12-16,19H,5-6,9,11,17,35-36H2,1H3,(H,38,41)
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 (DiaPharma Group, Inc., ...


US Patent US10329260 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM417032
PNG
(1-(1-aminoisoquinolin-7-yl)-N-(5-(3-cyclopropyl-1-...)
Show SMILES Nc1nccc2ccc(cc12)-n1nc(cc1C(=O)Nc1cc(ccc1F)C(CCC1CC1)n1ccc(=O)[nH]c1=O)C(F)(F)F
Show InChI InChI=1/C30H25F4N7O3/c31-21-7-5-18(23(8-3-16-1-2-16)40-12-10-26(42)38-29(40)44)13-22(21)37-28(43)24-15-25(30(32,33)34)39-41(24)19-6-4-17-9-11-36-27(35)20(17)14-19/h4-7,9-16,23H,1-3,8H2,(H2,35,36)(H,37,43)(H,38,42,44)
PDB

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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 US10329260 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM416739
PNG
(1-(3-(aminomethyl)phenyl)-N-(3-((2-cyclopropylethy...)
Show SMILES NCc1cccc(c1)-n1nc(cc1C(=O)Nc1cccc(c1)N(CCC1CC1)c1ccccc1)C(F)(F)F
Show InChI InChI=1S/C29H28F3N5O/c30-29(31,32)27-18-26(37(35-27)25-11-4-6-21(16-25)19-33)28(38)34-22-7-5-10-24(17-22)36(15-14-20-12-13-20)23-8-2-1-3-9-23/h1-11,16-18,20H,12-15,19,33H2,(H,34,38)
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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 US10329260 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM416742
PNG
(1-(3-(aminomethyl)phenyl)-N-(3-((cyclopropylmethyl...)
Show SMILES NCc1cccc(c1)-n1nc(cc1C(=O)Nc1cccc(C(NCC2CC2)c2ccccc2)c1F)C(F)(F)F
Show InChI InChI=1S/C29H27F4N5O/c30-26-22(27(35-17-18-12-13-18)20-7-2-1-3-8-20)10-5-11-23(26)36-28(39)24-15-25(29(31,32)33)37-38(24)21-9-4-6-19(14-21)16-34/h1-11,14-15,18,27,35H,12-13,16-17,34H2,(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 US10329260 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM416745
PNG
(1-(3-(aminomethyl)phenyl)-N-(3-((cyclopropylmethox...)
Show SMILES NCc1cccc(c1)-n1nc(cc1C(=O)Nc1cccc(c1)C(OCC1CC1)c1nccs1)C(F)(F)F
Show InChI InChI=1S/C26H24F3N5O2S/c27-26(28,29)22-13-21(34(33-22)20-6-1-3-17(11-20)14-30)24(35)32-19-5-2-4-18(12-19)23(25-31-9-10-37-25)36-15-16-7-8-16/h1-6,9-13,16,23H,7-8,14-15,30H2,(H,32,35)
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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 US10329260 (2019)

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 (DiaPharma Group, Inc., ...


US Patent US10329260 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM416748
PNG
(1-(3-(aminomethyl)phenyl)-N-(3-((cyclopropylmethyl...)
Show SMILES NCc1cccc(c1)-n1nc(cc1C(=O)Nc1cccc(c1)C(NCC1CC1)c1ccccn1)C(F)(F)F
Show InChI InChI=1S/C28H27F3N6O/c29-28(30,31)25-15-24(37(36-25)22-8-3-5-19(13-22)16-32)27(38)35-21-7-4-6-20(14-21)26(34-17-18-10-11-18)23-9-1-2-12-33-23/h1-9,12-15,18,26,34H,10-11,16-17,32H2,(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 US10329260 (2019)

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 US10329260 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM416757
PNG
(1-(3-(aminomethyl)phenyl)-N-(3-(3-cyclopropyl-1-(1...)
Show SMILES NCc1cccc(c1)-n1nc(cc1C(=O)Nc1cccc(c1)C(CCC1CC1)n1ccnc1)C(F)(F)F
Show InChI InChI=1S/C27H27F3N6O/c28-27(29,30)25-15-24(36(34-25)22-6-1-3-19(13-22)16-31)26(37)33-21-5-2-4-20(14-21)23(10-9-18-7-8-18)35-12-11-32-17-35/h1-6,11-15,17-18,23H,7-10,16,31H2,(H,33,37)
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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 US10329260 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM416760
PNG
((E/Z)-1-(3-(Aminomethyl)phenyl)-N-(3-(3-cyclopropy...)
Show SMILES NCc1cccc(c1)-n1nc(cc1C(=O)Nc1cccc(c1)C(=C\CC1CC1)\c1ccccc1)C(F)(F)F
Show InChI InChI=1S/C30H27F3N4O/c31-30(32,33)28-18-27(37(36-28)25-11-4-6-21(16-25)19-34)29(38)35-24-10-5-9-23(17-24)26(15-14-20-12-13-20)22-7-2-1-3-8-22/h1-11,15-18,20H,12-14,19,34H2,(H,35,38)/b26-15+
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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 US10329260 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM416763
PNG
(1-(3-(Aminomethyl)phenyl)-N-(3-(((cyclopropylmethy...)
Show SMILES NCc1cccc(c1)-n1nc(cc1C(=O)Nc1cccc(Cc2ccccc2NCC2CC2)c1)C(F)(F)F
Show InChI InChI=1S/C29H28F3N5O/c30-29(31,32)27-16-26(37(36-27)24-9-4-6-21(15-24)17-33)28(38)35-23-8-3-5-20(14-23)13-22-7-1-2-10-25(22)34-18-19-11-12-19/h1-10,14-16,19,34H,11-13,17-18,33H2,(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 US10329260 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM416764
PNG
(1-(3-(aminomethyl)phenyl)-N-(3-((cyclopropylmethyl...)
Show SMILES NCc1cccc(c1)-n1nc(cc1C(=O)Nc1cccc(c1)C(NCC1CC1)c1ccncc1)C(F)(F)F
Show InChI InChI=1S/C28H27F3N6O/c29-28(30,31)25-15-24(37(36-25)23-6-1-3-19(13-23)16-32)27(38)35-22-5-2-4-21(14-22)26(34-17-18-7-8-18)20-9-11-33-12-10-20/h1-6,9-15,18,26,34H,7-8,16-17,32H2,(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 US10329260 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM416766
PNG
(1-(3-(aminomethyl)phenyl)-N-(3-((2-cyclopropyletho...)
Show SMILES NCc1cccc(c1)-n1nc(cc1C(=O)Nc1cccc(c1)C(OCCC1CC1)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)29(38)35-24-10-5-9-23(17-24)28(22-7-2-1-3-8-22)39-15-14-20-12-13-20/h1-11,16-18,20,28H,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 US10329260 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM416767
PNG
(1-(3-(aminomethyl)phenyl)-N-(3-(3-cyclopropyl-1-hy...)
Show SMILES NCc1cccc(c1)-n1nc(cc1C(=O)Nc1cccc(c1)C(O)(CCC1CC1)c1ccccn1)C(F)(F)F
Show InChI InChI=1S/C29H28F3N5O2/c30-29(31,32)26-17-24(37(36-26)23-8-3-5-20(15-23)18-33)27(38)35-22-7-4-6-21(16-22)28(39,13-12-19-10-11-19)25-9-1-2-14-34-25/h1-9,14-17,19,39H,10-13,18,33H2,(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 US10329260 (2019)

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 US10329260 (2019)

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)
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 (DiaPharma Group, Inc., ...


US Patent US10329260 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM416774
PNG
(1-(3-(aminomethyl)phenyl)-N-(3-(3-cyclopropyl-1-hy...)
Show SMILES NCc1cccc(c1)-n1nc(cc1C(=O)Nc1cccc(c1)C(O)(CCC1CC1)c1ccncc1)C(F)(F)F
Show InChI InChI=1S/C29H28F3N5O2/c30-29(31,32)26-17-25(37(36-26)24-6-1-3-20(15-24)18-33)27(38)35-23-5-2-4-22(16-23)28(39,12-9-19-7-8-19)21-10-13-34-14-11-21/h1-6,10-11,13-17,19,39H,7-9,12,18,33H2,(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 (DiaPharma Group, Inc., ...


US Patent US10329260 (2019)

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)
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 (DiaPharma Group, Inc., ...


US Patent US10329260 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM416777
PNG
(1-(3-(aminomethyl)phenyl)-N-(3-(((cyclopropylmethy...)
Show SMILES NCc1cccc(c1)-n1nc(cc1C(=O)Nc1cccc(c1)C(NCC1CC1)c1cn[nH]c1)C(F)(F)F
Show InChI InChI=1/C26H26F3N7O/c27-26(28,29)23-11-22(36(35-23)21-6-1-3-17(9-21)12-30)25(37)34-20-5-2-4-18(10-20)24(19-14-32-33-15-19)31-13-16-7-8-16/h1-6,9-11,14-16,24,31H,7-8,12-13,30H2,(H,32,33)(H,34,37)
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 (DiaPharma Group, Inc., ...


US Patent US10329260 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM416779
PNG
(1-(3-(aminomethyl)phenyl)-N-(3-((cyclopropylmethox...)
Show SMILES NCc1cccc(c1)-n1nc(cc1C(=O)Nc1cccc(C(OCC2CC2)c2ccccc2)c1F)C(F)(F)F
Show InChI InChI=1S/C29H26F4N4O2/c30-26-22(27(39-17-18-12-13-18)20-7-2-1-3-8-20)10-5-11-23(26)35-28(38)24-15-25(29(31,32)33)36-37(24)21-9-4-6-19(14-21)16-34/h1-11,14-15,18,27H,12-13,16-17,34H2,(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 (DiaPharma Group, Inc., ...


US Patent US10329260 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM416780
PNG
(1-(3-(aminomethyl)phenyl)-N-(3-((cyclopropylmethyl...)
Show SMILES NCc1cccc(c1)-n1nc(cc1C(=O)Nc1cccc(c1)C(NCC1CC1)c1nccs1)C(F)(F)F
Show InChI InChI=1S/C26H25F3N6OS/c27-26(28,29)22-13-21(35(34-22)20-6-1-3-17(11-20)14-30)24(36)33-19-5-2-4-18(12-19)23(25-31-9-10-37-25)32-15-16-7-8-16/h1-6,9-13,16,23,32H,7-8,14-15,30H2,(H,33,36)
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 (DiaPharma Group, Inc., ...


US Patent US10329260 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM416782
PNG
(1-(3-(Aminomethyl)phenyl)-N-(3-((cyclopropylmethyl...)
Show SMILES COc1cccc(c1)C(NCC1CC1)c1cccc(NC(=O)c2cc(nn2-c2cccc(CN)c2)C(F)(F)F)c1
Show InChI InChI=1S/C30H30F3N5O2/c1-40-25-10-4-7-22(15-25)28(35-18-19-11-12-19)21-6-3-8-23(14-21)36-29(39)26-16-27(30(31,32)33)37-38(26)24-9-2-5-20(13-24)17-34/h2-10,13-16,19,28,35H,11-12,17-18,34H2,1H3,(H,36,39)
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 (DiaPharma Group, Inc., ...


US Patent US10329260 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM416783
PNG
(2-(3-Aminomethyl-phenyl)-5-trifluoromethyl-2H-pyra...)
Show SMILES NCc1cccc(c1)-n1nc(cc1C(=O)Nc1cccc(c1)C(NCC1CC1)c1ccc2ccccc2c1)C(F)(F)F
Show InChI InChI=1S/C33H30F3N5O/c34-33(35,36)30-18-29(41(40-30)28-10-3-5-22(15-28)19-37)32(42)39-27-9-4-8-25(17-27)31(38-20-21-11-12-21)26-14-13-23-6-1-2-7-24(23)16-26/h1-10,13-18,21,31,38H,11-12,19-20,37H2,(H,39,42)
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 (DiaPharma Group, Inc., ...


US Patent US10329260 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM416784
PNG
(1-(3-(aminomethyl)phenyl)-N-(5-((cyclopropylmethyl...)
Show SMILES NCc1cccc(c1)-n1nc(cc1C(=O)Nc1cc(ccc1F)C(NCC1CC1)c1cccnc1)C(F)(F)F
Show InChI InChI=1S/C28H26F4N6O/c29-22-9-8-19(26(35-15-17-6-7-17)20-4-2-10-34-16-20)12-23(22)36-27(39)24-13-25(28(30,31)32)37-38(24)21-5-1-3-18(11-21)14-33/h1-5,8-13,16-17,26,35H,6-7,14-15,33H2,(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 US10329260 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM416785
PNG
(1-(3-(Aminomethyl)phenyl)-N-(3-((cyclopropylmethyl...)
Show SMILES Cc1cccc(c1)C(NCC1CC1)c1cccc(NC(=O)c2cc(nn2-c2cccc(CN)c2)C(F)(F)F)c1
Show InChI InChI=1S/C30H30F3N5O/c1-19-5-2-7-22(13-19)28(35-18-20-11-12-20)23-8-4-9-24(15-23)36-29(39)26-16-27(30(31,32)33)37-38(26)25-10-3-6-21(14-25)17-34/h2-10,13-16,20,28,35H,11-12,17-18,34H2,1H3,(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 US10329260 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM416786
PNG
(2-(3-Aminomethyl-phenyl)-5-trifluoromethyl-2H-pyra...)
Show SMILES NCc1cccc(c1)-n1nc(cc1C(=O)Nc1cccc(c1)C(NCC1CC1)c1cccc2ccccc12)C(F)(F)F
Show InChI InChI=1S/C33H30F3N5O/c34-33(35,36)30-18-29(41(40-30)26-11-3-6-22(16-26)19-37)32(42)39-25-10-4-9-24(17-25)31(38-20-21-14-15-21)28-13-5-8-23-7-1-2-12-27(23)28/h1-13,16-18,21,31,38H,14-15,19-20,37H2,(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 (DiaPharma Group, Inc., ...


US Patent US10329260 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM416787
PNG
(1-(3-(aminomethyl)phenyl)-N-(3-cyclopropyl-5-((cyc...)
Show SMILES NCc1cccc(c1)-n1nc(cc1C(=O)Nc1cc(Cc2ccccc2NCC2CC2)cc(c1)C1CC1)C(F)(F)F
Show InChI InChI=1S/C32H32F3N5O/c33-32(34,35)30-17-29(40(39-30)27-6-3-4-21(15-27)18-36)31(41)38-26-14-22(13-25(16-26)23-10-11-23)12-24-5-1-2-7-28(24)37-19-20-8-9-20/h1-7,13-17,20,23,37H,8-12,18-19,36H2,(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 US10329260 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM416788
PNG
(1-(3-(Aminomethyl)phenyl)-N-(3-((cyclopropylmethyl...)
Show SMILES NCc1cccc(c1)-n1nc(cc1C(=O)Nc1cccc(c1)C(NCC1CC1)c1cccc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C30H27F6N5O/c31-29(32,33)22-7-2-5-20(13-22)27(38-17-18-10-11-18)21-6-3-8-23(14-21)39-28(42)25-15-26(30(34,35)36)40-41(25)24-9-1-4-19(12-24)16-37/h1-9,12-15,18,27,38H,10-11,16-17,37H2,(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 (DiaPharma Group, Inc., ...


US Patent US10329260 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM416789
PNG
(1-(3-(aminomethyl)phenyl)-N-(5-((4-aminophenyl)(cy...)
Show SMILES NCc1cccc(c1)-n1nc(cc1C(=O)Nc1cc(ccc1F)C(NCC1CC1)c1ccc(N)cc1)C(F)(F)F
Show InChI InChI=1S/C29H28F4N6O/c30-23-11-8-20(27(36-16-17-4-5-17)19-6-9-21(35)10-7-19)13-24(23)37-28(40)25-14-26(29(31,32)33)38-39(25)22-3-1-2-18(12-22)15-34/h1-3,6-14,17,27,36H,4-5,15-16,34-35H2,(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 (DiaPharma Group, Inc., ...


US Patent US10329260 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM416790
PNG
(1-(3-(Aminomethyl)phenyl)-N-(2-chloro-5-((cyclopro...)
Show SMILES NCc1cccc(c1)-n1nc(cc1C(=O)Nc1cc(ccc1Cl)C(NCC1CC1)c1cccnc1)C(F)(F)F
Show InChI InChI=1S/C28H26ClF3N6O/c29-22-9-8-19(26(35-15-17-6-7-17)20-4-2-10-34-16-20)12-23(22)36-27(39)24-13-25(28(30,31)32)37-38(24)21-5-1-3-18(11-21)14-33/h1-5,8-13,16-17,26,35H,6-7,14-15,33H2,(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 US10329260 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM416791
PNG
(1-(3-(aminomethyl)phenyl)-N-(3-((cyclopropylmethyl...)
Show SMILES NCc1cccc(c1)-n1nc(cc1C(=O)Nc1cccc(c1)C(NCC1CC1)c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C29H29F3N6O3S/c30-29(31,32)26-15-25(38(37-26)23-6-1-3-19(13-23)16-33)28(39)36-22-5-2-4-21(14-22)27(35-17-18-7-8-18)20-9-11-24(12-10-20)42(34,40)41/h1-6,9-15,18,27,35H,7-8,16-17,33H2,(H,36,39)(H2,34,40,41)
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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 US10329260 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM416792
PNG
(1-(3-(aminomethyl)phenyl)-N-(5-((3-aminophenyl)(cy...)
Show SMILES NCc1cccc(c1)-n1nc(cc1C(=O)Nc1cc(ccc1F)C(NCC1CC1)c1cccc(N)c1)C(F)(F)F
Show InChI InChI=1S/C29H28F4N6O/c30-23-10-9-20(27(36-16-17-7-8-17)19-4-2-5-21(35)12-19)13-24(23)37-28(40)25-14-26(29(31,32)33)38-39(25)22-6-1-3-18(11-22)15-34/h1-6,9-14,17,27,36H,7-8,15-16,34-35H2,(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 (DiaPharma Group, Inc., ...


US Patent US10329260 (2019)

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 (DiaPharma Group, Inc., ...


US Patent US10329260 (2019)

More data for this
Ligand-Target Pair
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