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Patent code US10562850

Compile Data Set for Download or QSAR
Found 103 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Coagulation factor X and plasma kallikrein


(Homo sapiens (Human))
BDBM433382
PNG
(US10562850, Compound 64g)
Show SMILES NC(CCC1CC1)(c1cccnc1)c1ccc(F)c(NC(=O)[C@H]2C[C@@H](O)CN2C(=O)Nc2ccc(Cl)cc2)c1
Show InChI InChI=1S/C29H31ClFN5O3/c30-21-6-8-22(9-7-21)34-28(39)36-17-23(37)15-26(36)27(38)35-25-14-19(5-10-24(25)31)29(32,12-11-18-3-4-18)20-2-1-13-33-16-20/h1-2,5-10,13-14,16,18,23,26,37H,3-4,11-12,15,17,32H2,(H,34,39)(H,35,38)/t23-,26-,29?/m1/s1
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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. In these experiments, 2...


US Patent US10562850 (2020)


BindingDB Entry DOI: 10.7270/Q2FR001P
More data for this
Ligand-Target Pair
Coagulation factor X and plasma kallikrein


(Homo sapiens (Human))
BDBM433429
PNG
(US10562850, Compound 77a)
Show SMILES CCNC(CCC1CC1)(c1ccncc1)c1ccc(F)c(NC(=O)[C@H]2C[C@H](CN2C(=O)Nc2ccc(Cl)cn2)OC)c1
Show InChI InChI=1S/C31H36ClFN6O3/c1-3-36-31(13-10-20-4-5-20,21-11-14-34-15-12-21)22-6-8-25(33)26(16-22)37-29(40)27-17-24(42-2)19-39(27)30(41)38-28-9-7-23(32)18-35-28/h6-9,11-12,14-16,18,20,24,27,36H,3-5,10,13,17,19H2,1-2H3,(H,37,40)(H,35,38,41)/t24-,27-,31?/m1/s1
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<50n/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 US10562850 (2020)


BindingDB Entry DOI: 10.7270/Q2FR001P
More data for this
Ligand-Target Pair
Coagulation factor X and plasma kallikrein


(Homo sapiens (Human))
BDBM433422
PNG
(US10562850, Compound 71a)
Show SMILES CO[C@@H]1C[C@@H](N(C1)C(=O)Nc1ccc(Cl)cc1)C(=O)Nc1cc(ccc1F)C(N)(CCC1CC1)c1ccncc1
Show InChI InChI=1S/C30H33ClFN5O3/c1-40-24-17-27(37(18-24)29(39)35-23-7-5-22(31)6-8-23)28(38)36-26-16-21(4-9-25(26)32)30(33,13-10-19-2-3-19)20-11-14-34-15-12-20/h4-9,11-12,14-16,19,24,27H,2-3,10,13,17-18,33H2,1H3,(H,35,39)(H,36,38)/t24-,27-,30?/m1/s1
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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. In these experiments, 2...


US Patent US10562850 (2020)


BindingDB Entry DOI: 10.7270/Q2FR001P
More data for this
Ligand-Target Pair
Coagulation factor X and plasma kallikrein


(Homo sapiens (Human))
BDBM433412
PNG
(US10562850, Compound 29e)
Show SMILES NC(CCC1CC1)(c1cccc(c1)C#N)c1ccc(F)c(NC(=O)[C@H]2C[C@@](O)(CN2C(=O)Nc2ccc(Cl)cn2)c2ccccc2)c1
Show InChI InChI=1S/C36H34ClFN6O3/c37-28-12-14-32(41-21-28)43-34(46)44-22-35(47,25-6-2-1-3-7-25)19-31(44)33(45)42-30-18-27(11-13-29(30)38)36(40,16-15-23-9-10-23)26-8-4-5-24(17-26)20-39/h1-8,11-14,17-18,21,23,31,47H,9-10,15-16,19,22,40H2,(H,42,45)(H,41,43,46)/t31-,35-,36?/m1/s1
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<50n/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 US10562850 (2020)


BindingDB Entry DOI: 10.7270/Q2FR001P
More data for this
Ligand-Target Pair
Coagulation factor X and plasma kallikrein


(Homo sapiens (Human))
BDBM433449
PNG
(US10562850, Compound 42l | US10562850, Compound 43...)
Show SMILES CO[C@@H]1C[C@@H](N(C1)C(=O)Nc1ccc(Cl)cn1)C(=O)Nc1cc(ccc1F)C(CCC1CC1)n1ccccc1=O
Show InChI InChI=1S/C29H31ClFN5O4/c1-40-21-15-25(36(17-21)29(39)34-26-12-9-20(30)16-32-26)28(38)33-23-14-19(8-10-22(23)31)24(11-7-18-5-6-18)35-13-3-2-4-27(35)37/h2-4,8-10,12-14,16,18,21,24-25H,5-7,11,15,17H2,1H3,(H,33,38)(H,32,34,39)/t21-,24?,25-/m1/s1
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<50n/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 US10562850 (2020)


BindingDB Entry DOI: 10.7270/Q2FR001P
More data for this
Ligand-Target Pair
Coagulation factor X and plasma kallikrein


(Homo sapiens (Human))
BDBM433457
PNG
(US10562850, Compound 73a)
Show SMILES CO[C@@H]1C[C@@H](N(C1)C(=O)Nc1ccc(Cl)cn1)C(=O)Nc1cc(ccc1F)C(CCC1CC1)(NC(C)=O)c1ccncc1
Show InChI InChI=1S/C31H34ClFN6O4/c1-19(40)38-31(12-9-20-3-4-20,21-10-13-34-14-11-21)22-5-7-25(33)26(15-22)36-29(41)27-16-24(43-2)18-39(27)30(42)37-28-8-6-23(32)17-35-28/h5-8,10-11,13-15,17,20,24,27H,3-4,9,12,16,18H2,1-2H3,(H,36,41)(H,38,40)(H,35,37,42)/t24-,27-,31?/m1/s1
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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. In these experiments, 2...


US Patent US10562850 (2020)


BindingDB Entry DOI: 10.7270/Q2FR001P
More data for this
Ligand-Target Pair
Coagulation factor X and plasma kallikrein


(Homo sapiens (Human))
BDBM433450
PNG
(US10562850, Compound 81h)
Show SMILES CO[C@@H]1C[C@@H](N(C1)C(=O)Nc1ccc(Cl)s1)C(=O)Nc1cc(ccc1F)C(N)(CCC1CC1)c1ccncc1
Show InChI InChI=1S/C28H31ClFN5O3S/c1-38-20-15-23(35(16-20)27(37)34-25-7-6-24(29)39-25)26(36)33-22-14-19(4-5-21(22)30)28(31,11-8-17-2-3-17)18-9-12-32-13-10-18/h4-7,9-10,12-14,17,20,23H,2-3,8,11,15-16,31H2,1H3,(H,33,36)(H,34,37)/t20-,23-,28?/m1/s1
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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. In these experiments, 2...


US Patent US10562850 (2020)


BindingDB Entry DOI: 10.7270/Q2FR001P
More data for this
Ligand-Target Pair
Coagulation factor X and plasma kallikrein


(Homo sapiens (Human))
BDBM433443
PNG
(US10562850, Compound 59d)
Show SMILES NC(CCC1CC1)(c1ccncc1)c1ccc(F)c(NC(=O)[C@H]2C[C@@](O)(CN2C(=O)Nc2ccc(Cl)cn2)C2CC2)c1
Show InChI InChI=1S/C31H34ClFN6O3/c32-23-6-8-27(36-17-23)38-29(41)39-18-30(42,20-3-4-20)16-26(39)28(40)37-25-15-22(5-7-24(25)33)31(34,12-9-19-1-2-19)21-10-13-35-14-11-21/h5-8,10-11,13-15,17,19-20,26,42H,1-4,9,12,16,18,34H2,(H,37,40)(H,36,38,41)/t26-,30-,31?/m1/s1
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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. In these experiments, 2...


US Patent US10562850 (2020)


BindingDB Entry DOI: 10.7270/Q2FR001P
More data for this
Ligand-Target Pair
Coagulation factor X and plasma kallikrein


(Homo sapiens (Human))
BDBM433419
PNG
(US10562850, Compound 70c)
Show SMILES CO[C@@H]1C[C@@H](N(C1)C(=O)Nc1ccc(Cl)cn1)C(=O)Nc1cc(ccc1F)C(N)(CCC1CC1)c1ccncc1
Show InChI InChI=1S/C29H32ClFN6O3/c1-40-22-15-25(37(17-22)28(39)36-26-7-5-21(30)16-34-26)27(38)35-24-14-20(4-6-23(24)31)29(32,11-8-18-2-3-18)19-9-12-33-13-10-19/h4-7,9-10,12-14,16,18,22,25H,2-3,8,11,15,17,32H2,1H3,(H,35,38)(H,34,36,39)/t22-,25-,29?/m1/s1
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<50n/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 US10562850 (2020)


BindingDB Entry DOI: 10.7270/Q2FR001P
More data for this
Ligand-Target Pair
Coagulation factor X and plasma kallikrein


(Homo sapiens (Human))
BDBM433388
PNG
(US10562850, Compound 36d | US10562850, Compound 37...)
Show SMILES CO[C@@H]1C[C@@H](N(C1)C(=O)Nc1ccc(Cl)cn1)C(=O)Nc1cc(ccc1F)C(N)(CCC1CC1)c1ccccn1
Show InChI InChI=1S/C29H32ClFN6O3/c1-40-21-15-24(37(17-21)28(39)36-26-10-8-20(30)16-34-26)27(38)35-23-14-19(7-9-22(23)31)29(32,12-11-18-5-6-18)25-4-2-3-13-33-25/h2-4,7-10,13-14,16,18,21,24H,5-6,11-12,15,17,32H2,1H3,(H,35,38)(H,34,36,39)/t21-,24-,29?/m1/s1
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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. In these experiments, 2...


US Patent US10562850 (2020)


BindingDB Entry DOI: 10.7270/Q2FR001P
More data for this
Ligand-Target Pair
Coagulation factor X and plasma kallikrein


(Homo sapiens (Human))
BDBM433374
PNG
(US10562850, Compound 62c)
Show SMILES NC(CCC1CC1)(c1ccc(F)c(NC(=O)[C@H]2C[C@@H](O)CN2C(=O)Nc2ccc(Cl)cn2)c1)c1ccccn1
Show InChI InChI=1S/C28H30ClFN6O3/c29-19-7-9-25(33-15-19)35-27(39)36-16-20(37)14-23(36)26(38)34-22-13-18(6-8-21(22)30)28(31,11-10-17-4-5-17)24-3-1-2-12-32-24/h1-3,6-9,12-13,15,17,20,23,37H,4-5,10-11,14,16,31H2,(H,34,38)(H,33,35,39)/t20-,23-,28?/m1/s1
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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. In these experiments, 2...


US Patent US10562850 (2020)


BindingDB Entry DOI: 10.7270/Q2FR001P
More data for this
Ligand-Target Pair
Coagulation factor X and plasma kallikrein


(Homo sapiens (Human))
BDBM433448
PNG
(US10562850, Compound 52d)
Show SMILES CCCO[C@@H]1C[C@@H](N(C1)C(=O)Nc1ccc(Cl)cn1)C(=O)Nc1cc(ccc1F)C(N)(CCC1CC1)c1ccncc1
Show InChI InChI=1S/C31H36ClFN6O3/c1-2-15-42-24-17-27(39(19-24)30(41)38-28-8-6-23(32)18-36-28)29(40)37-26-16-22(5-7-25(26)33)31(34,12-9-20-3-4-20)21-10-13-35-14-11-21/h5-8,10-11,13-14,16,18,20,24,27H,2-4,9,12,15,17,19,34H2,1H3,(H,37,40)(H,36,38,41)/t24-,27-,31?/m1/s1
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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. In these experiments, 2...


US Patent US10562850 (2020)


BindingDB Entry DOI: 10.7270/Q2FR001P
More data for this
Ligand-Target Pair
Coagulation factor X and plasma kallikrein


(Homo sapiens (Human))
BDBM433441
PNG
(US10562850, Compound 48d)
Show SMILES C[C@H]1C[C@@H](N(C1)C(=O)Nc1ccc(Cl)cn1)C(=O)Nc1cc(ccc1F)C(N)(CCC1CC1)c1ccncc1
Show InChI InChI=1S/C29H32ClFN6O2/c1-18-14-25(37(17-18)28(39)36-26-7-5-22(30)16-34-26)27(38)35-24-15-21(4-6-23(24)31)29(32,11-8-19-2-3-19)20-9-12-33-13-10-20/h4-7,9-10,12-13,15-16,18-19,25H,2-3,8,11,14,17,32H2,1H3,(H,35,38)(H,34,36,39)/t18-,25+,29?/m0/s1
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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. In these experiments, 2...


US Patent US10562850 (2020)


BindingDB Entry DOI: 10.7270/Q2FR001P
More data for this
Ligand-Target Pair
Coagulation factor X and plasma kallikrein


(Homo sapiens (Human))
BDBM433456
PNG
(US10562850, Compound 78a)
Show SMILES CCNC(CCC1CC1)(c1ccnc(C)c1)c1ccc(F)c(NC(=O)[C@H]2C[C@H](CN2C(=O)Nc2ccc(Cl)cn2)OC)c1
Show InChI InChI=1S/C32H38ClFN6O3/c1-4-37-32(13-11-21-5-6-21,23-12-14-35-20(2)15-23)22-7-9-26(34)27(16-22)38-30(41)28-17-25(43-3)19-40(28)31(42)39-29-10-8-24(33)18-36-29/h7-10,12,14-16,18,21,25,28,37H,4-6,11,13,17,19H2,1-3H3,(H,38,41)(H,36,39,42)/t25-,28-,32?/m1/s1
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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. In these experiments, 2...


US Patent US10562850 (2020)


BindingDB Entry DOI: 10.7270/Q2FR001P
More data for this
Ligand-Target Pair
Coagulation factor X and plasma kallikrein


(Homo sapiens (Human))
BDBM433416
PNG
(US10562850, Compound 69a)
Show SMILES NC(CCC1CC1)(c1ccncc1)c1ccc(F)c(NC(=O)[C@H]2C[C@@H](O)CN2C(=O)Nc2ccc(Cl)cc2)c1
Show InChI InChI=1S/C29H31ClFN5O3/c30-21-4-6-22(7-5-21)34-28(39)36-17-23(37)16-26(36)27(38)35-25-15-20(3-8-24(25)31)29(32,12-9-18-1-2-18)19-10-13-33-14-11-19/h3-8,10-11,13-15,18,23,26,37H,1-2,9,12,16-17,32H2,(H,34,39)(H,35,38)/t23-,26-,29?/m1/s1
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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. In these experiments, 2...


US Patent US10562850 (2020)


BindingDB Entry DOI: 10.7270/Q2FR001P
More data for this
Ligand-Target Pair
Coagulation factor X and plasma kallikrein


(Homo sapiens (Human))
BDBM433423
PNG
(US10562850, Compound 55a)
Show SMILES CCO[C@@H]1C[C@@H](N(C1)C(=O)Nc1ccc(Cl)cn1)C(=O)Nc1cc(ccc1F)C(CCC1CC1)(NS(C)(=O)=O)c1ccncc1
Show InChI InChI=1S/C31H36ClFN6O5S/c1-3-44-24-17-27(39(19-24)30(41)37-28-9-7-23(32)18-35-28)29(40)36-26-16-22(6-8-25(26)33)31(38-45(2,42)43,13-10-20-4-5-20)21-11-14-34-15-12-21/h6-9,11-12,14-16,18,20,24,27,38H,3-5,10,13,17,19H2,1-2H3,(H,36,40)(H,35,37,41)/t24-,27-,31?/m1/s1
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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. In these experiments, 2...


US Patent US10562850 (2020)


BindingDB Entry DOI: 10.7270/Q2FR001P
More data for this
Ligand-Target Pair
Coagulation factor X and plasma kallikrein


(Homo sapiens (Human))
BDBM433439
PNG
(US10562850, Compound 58j)
Show SMILES CCO[C@@H]1C[C@@H](N(C1)C(=O)Nc1ccc(Cl)cn1)C(=O)Nc1cc(ccc1F)C(NCC1CC1)c1cccc(c1)C#N
Show InChI InChI=1S/C31H32ClFN6O3/c1-2-42-24-14-27(39(18-24)31(41)38-28-11-9-23(32)17-35-28)30(40)37-26-13-22(8-10-25(26)33)29(36-16-19-6-7-19)21-5-3-4-20(12-21)15-34/h3-5,8-13,17,19,24,27,29,36H,2,6-7,14,16,18H2,1H3,(H,37,40)(H,35,38,41)/t24-,27-,29?/m1/s1
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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. In these experiments, 2...


US Patent US10562850 (2020)


BindingDB Entry DOI: 10.7270/Q2FR001P
More data for this
Ligand-Target Pair
Coagulation factor X and plasma kallikrein


(Homo sapiens (Human))
BDBM433454
PNG
(US10562850, Compound 51b)
Show SMILES CCO[C@@H]1C[C@@H](N(C1)C(=O)Nc1ccc(Cl)cn1)C(=O)Nc1cc(ccc1F)C(N)(CCC1CC1)c1ccncc1
Show InChI InChI=1S/C30H34ClFN6O3/c1-2-41-23-16-26(38(18-23)29(40)37-27-8-6-22(31)17-35-27)28(39)36-25-15-21(5-7-24(25)32)30(33,12-9-19-3-4-19)20-10-13-34-14-11-20/h5-8,10-11,13-15,17,19,23,26H,2-4,9,12,16,18,33H2,1H3,(H,36,39)(H,35,37,40)/t23-,26-,30?/m1/s1
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<50n/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 US10562850 (2020)


BindingDB Entry DOI: 10.7270/Q2FR001P
More data for this
Ligand-Target Pair
Coagulation factor X and plasma kallikrein


(Homo sapiens (Human))
BDBM433455
PNG
(US10562850, Compound 46k)
Show SMILES CO[C@@H]1C[C@@H](N(C1)C(=O)Nc1ccc(Cl)cn1)C(=O)Nc1cc(ccc1F)C(N)(CCC1CC1)c1ccnc(C)c1
Show InChI InChI=1S/C30H34ClFN6O3/c1-18-13-21(10-12-34-18)30(33,11-9-19-3-4-19)20-5-7-24(32)25(14-20)36-28(39)26-15-23(41-2)17-38(26)29(40)37-27-8-6-22(31)16-35-27/h5-8,10,12-14,16,19,23,26H,3-4,9,11,15,17,33H2,1-2H3,(H,36,39)(H,35,37,40)/t23-,26-,30?/m1/s1
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<50n/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 US10562850 (2020)


BindingDB Entry DOI: 10.7270/Q2FR001P
More data for this
Ligand-Target Pair
Coagulation factor X and plasma kallikrein


(Homo sapiens (Human))
BDBM433469
PNG
(US10562850, Compound 75e)
Show SMILES CO[C@@H]1C[C@@H](N(C1)C(=O)Nc1ccc(Cl)cn1)C(=O)Nc1cccc(c1)C(N)(CCC1CC1)c1ccncc1
Show InChI InChI=1S/C29H33ClN6O3/c1-39-24-16-25(36(18-24)28(38)35-26-8-7-22(30)17-33-26)27(37)34-23-4-2-3-21(15-23)29(31,12-9-19-5-6-19)20-10-13-32-14-11-20/h2-4,7-8,10-11,13-15,17,19,24-25H,5-6,9,12,16,18,31H2,1H3,(H,34,37)(H,33,35,38)/t24-,25-,29?/m1/s1
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<50n/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 US10562850 (2020)


BindingDB Entry DOI: 10.7270/Q2FR001P
More data for this
Ligand-Target Pair
Coagulation factor X and plasma kallikrein


(Homo sapiens (Human))
BDBM433373
PNG
(US10562850, Compound 18a)
Show SMILES CO[C@@H]1C[C@@H](N(C1)C(=O)Nc1ccc(Cl)cn1)C(=O)Nc1cc(ccc1F)C(CCC1CC1)(N[S@](=O)C(C)(C)C)c1cccc(c1)C#N
Show InChI InChI=1S/C35H40ClFN6O4S/c1-34(2,3)48(46)42-35(15-14-22-8-9-22,24-7-5-6-23(16-24)19-38)25-10-12-28(37)29(17-25)40-32(44)30-18-27(47-4)21-43(30)33(45)41-31-13-11-26(36)20-39-31/h5-7,10-13,16-17,20,22,27,30,42H,8-9,14-15,18,21H2,1-4H3,(H,40,44)(H,39,41,45)/t27-,30-,35?,48-/m1/s1
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<50n/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 US10562850 (2020)


BindingDB Entry DOI: 10.7270/Q2FR001P
More data for this
Ligand-Target Pair
Coagulation factor X and plasma kallikrein


(Homo sapiens (Human))
BDBM433413
PNG
(US10562850, Compound 68a)
Show SMILES CC(C)(C)[S@@](=O)NC(CCC1CC1)(c1ccncc1)c1ccc(F)c(NC(=O)[C@H]2C[C@@H](O)CN2C(=O)Nc2ccc(Cl)cc2)c1
Show InChI InChI=1S/C33H39ClFN5O4S/c1-32(2,3)45(44)39-33(15-12-21-4-5-21,22-13-16-36-17-14-22)23-6-11-27(35)28(18-23)38-30(42)29-19-26(41)20-40(29)31(43)37-25-9-7-24(34)8-10-25/h6-11,13-14,16-18,21,26,29,39,41H,4-5,12,15,19-20H2,1-3H3,(H,37,43)(H,38,42)/t26-,29-,33?,45-/m1/s1
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<50n/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 US10562850 (2020)


BindingDB Entry DOI: 10.7270/Q2FR001P
More data for this
Ligand-Target Pair
Coagulation factor X and plasma kallikrein


(Homo sapiens (Human))
BDBM433428
PNG
(US10562850, Compound 38d)
Show SMILES CCC1(O)C[C@@H](N(C1)C(=O)OC(C)(C)C)C(=O)Nc1cc(ccc1F)C(CCC1CC1)(N[S@@](=O)C(C)(C)C)c1ccccn1
Show InChI InChI=1S/C33H47FN4O5S/c1-8-32(41)20-26(38(21-32)29(40)43-30(2,3)4)28(39)36-25-19-23(14-15-24(25)34)33(17-16-22-12-13-22,27-11-9-10-18-35-27)37-44(42)31(5,6)7/h9-11,14-15,18-19,22,26,37,41H,8,12-13,16-17,20-21H2,1-7H3,(H,36,39)/t26-,32?,33?,44+/m1/s1
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<50n/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 US10562850 (2020)


BindingDB Entry DOI: 10.7270/Q2FR001P
More data for this
Ligand-Target Pair
Coagulation factor X and plasma kallikrein


(Homo sapiens (Human))
BDBM433431
PNG
(US10562850, Compound 39h)
Show SMILES NC(CCC1CC1)(c1ccncc1)c1ccc(F)c(NC(=O)[C@H]2C[C@@](O)(CN2C(=O)Nc2ccc(Cl)cn2)c2ccccc2)c1
Show InChI InChI=1S/C34H34ClFN6O3/c35-26-9-11-30(39-20-26)41-32(44)42-21-33(45,23-4-2-1-3-5-23)19-29(42)31(43)40-28-18-25(8-10-27(28)36)34(37,15-12-22-6-7-22)24-13-16-38-17-14-24/h1-5,8-11,13-14,16-18,20,22,29,45H,6-7,12,15,19,21,37H2,(H,40,43)(H,39,41,44)/t29-,33-,34?/m1/s1
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<50n/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 US10562850 (2020)


BindingDB Entry DOI: 10.7270/Q2FR001P
More data for this
Ligand-Target Pair
Coagulation factor X and plasma kallikrein


(Homo sapiens (Human))
BDBM433434
PNG
(US10562850, Compound 40a)
Show SMILES NC(CCC1CC1)(c1ccncc1)c1ccc(F)c(NC(=O)[C@H]2C[C@@](O)(CN2C(=O)Nc2ccc(Cl)cc2)c2ccccc2)c1
Show InChI InChI=1S/C35H35ClFN5O3/c36-27-9-11-28(12-10-27)40-33(44)42-22-34(45,24-4-2-1-3-5-24)21-31(42)32(43)41-30-20-26(8-13-29(30)37)35(38,17-14-23-6-7-23)25-15-18-39-19-16-25/h1-5,8-13,15-16,18-20,23,31,45H,6-7,14,17,21-22,38H2,(H,40,44)(H,41,43)/t31-,34-,35?/m1/s1
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<50n/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 US10562850 (2020)


BindingDB Entry DOI: 10.7270/Q2FR001P
More data for this
Ligand-Target Pair
Coagulation factor X and plasma kallikrein


(Homo sapiens (Human))
BDBM433451
PNG
(US10562850, Compound 53d)
Show SMILES NC(CCC1CC1)(c1ccncc1)c1ccc(F)c(NC(=O)[C@H]2CC(F)(F)CN2C(=O)Nc2ccc(Cl)cn2)c1
Show InChI InChI=1S/C28H28ClF3N6O2/c29-20-4-6-24(35-15-20)37-26(40)38-16-27(31,32)14-23(38)25(39)36-22-13-19(3-5-21(22)30)28(33,10-7-17-1-2-17)18-8-11-34-12-9-18/h3-6,8-9,11-13,15,17,23H,1-2,7,10,14,16,33H2,(H,36,39)(H,35,37,40)/t23-,28?/m1/s1
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<50n/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 US10562850 (2020)


BindingDB Entry DOI: 10.7270/Q2FR001P
More data for this
Ligand-Target Pair
Coagulation factor X and plasma kallikrein


(Homo sapiens (Human))
BDBM433453
PNG
(US10562850, Compound 79a)
Show SMILES CNC(CCC1CC1)(c1ccnc(C)c1)c1ccc(F)c(NC(=O)[C@H]2C[C@H](CN2C(=O)Nc2ccc(Cl)cn2)OC)c1
Show InChI InChI=1S/C31H36ClFN6O3/c1-19-14-22(11-13-35-19)31(34-2,12-10-20-4-5-20)21-6-8-25(33)26(15-21)37-29(40)27-16-24(42-3)18-39(27)30(41)38-28-9-7-23(32)17-36-28/h6-9,11,13-15,17,20,24,27,34H,4-5,10,12,16,18H2,1-3H3,(H,37,40)(H,36,38,41)/t24-,27-,31?/m1/s1
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<50n/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 US10562850 (2020)


BindingDB Entry DOI: 10.7270/Q2FR001P
More data for this
Ligand-Target Pair
Coagulation factor X and plasma kallikrein


(Homo sapiens (Human))
BDBM433394
PNG
(US10562850, Compound 31i)
Show SMILES NC(CCC1CC1)(c1ccc(F)c(NC(=O)[C@H]2C[C@@](O)(CN2C(=O)Nc2ccc(Cl)cc2)c2ccccc2)c1)c1ccccn1
Show InChI InChI=1S/C35H35ClFN5O3/c36-26-12-14-27(15-13-26)40-33(44)42-22-34(45,24-6-2-1-3-7-24)21-30(42)32(43)41-29-20-25(11-16-28(29)37)35(38,18-17-23-9-10-23)31-8-4-5-19-39-31/h1-8,11-16,19-20,23,30,45H,9-10,17-18,21-22,38H2,(H,40,44)(H,41,43)/t30-,34-,35?/m1/s1
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<50n/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 US10562850 (2020)


BindingDB Entry DOI: 10.7270/Q2FR001P
More data for this
Ligand-Target Pair
Coagulation factor X and plasma kallikrein


(Homo sapiens (Human))
BDBM433426
PNG
(US10562850, Compound 56a)
Show SMILES CCO[C@@H]1C[C@@H](N(C1)C(=O)Nc1ccc(Cl)cn1)C(=O)Nc1cc(ccc1F)C(CCC1CC1)(NC(C)=O)c1ccncc1
Show InChI InChI=1S/C32H36ClFN6O4/c1-3-44-25-17-28(40(19-25)31(43)38-29-9-7-24(33)18-36-29)30(42)37-27-16-23(6-8-26(27)34)32(39-20(2)41,13-10-21-4-5-21)22-11-14-35-15-12-22/h6-9,11-12,14-16,18,21,25,28H,3-5,10,13,17,19H2,1-2H3,(H,37,42)(H,39,41)(H,36,38,43)/t25-,28-,32?/m1/s1
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<50n/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 US10562850 (2020)


BindingDB Entry DOI: 10.7270/Q2FR001P
More data for this
Ligand-Target Pair
Coagulation factor X and plasma kallikrein


(Homo sapiens (Human))
BDBM433432
PNG
(US10562850, Compound 57d)
Show SMILES CO[C@@]1(C[C@@H](N(C1)C(=O)Nc1ccc(Cl)cn1)C(=O)Nc1cc(ccc1F)C(N)(CCC1CC1)c1ccncc1)C(F)(F)F
Show InChI InChI=1S/C30H31ClF4N6O3/c1-44-28(30(33,34)35)15-24(41(17-28)27(43)40-25-7-5-21(31)16-38-25)26(42)39-23-14-20(4-6-22(23)32)29(36,11-8-18-2-3-18)19-9-12-37-13-10-19/h4-7,9-10,12-14,16,18,24H,2-3,8,11,15,17,36H2,1H3,(H,39,42)(H,38,40,43)/t24-,28-,29?/m1/s1
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<50n/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 US10562850 (2020)


BindingDB Entry DOI: 10.7270/Q2FR001P
More data for this
Ligand-Target Pair
Coagulation factor X and plasma kallikrein


(Homo sapiens (Human))
BDBM433463
PNG
(US10562850, Compound 54g)
Show SMILES NC(CCC1CC1)(c1ccncc1)c1ccc(F)c(NC(=O)[C@H]2C[C@@](O)(CN2C(=O)Nc2ccc(Cl)cn2)C(F)(F)F)c1
Show InChI InChI=1S/C29H29ClF4N6O3/c30-20-4-6-24(37-15-20)39-26(42)40-16-27(43,29(32,33)34)14-23(40)25(41)38-22-13-19(3-5-21(22)31)28(35,10-7-17-1-2-17)18-8-11-36-12-9-18/h3-6,8-9,11-13,15,17,23,43H,1-2,7,10,14,16,35H2,(H,38,41)(H,37,39,42)/t23-,27-,28?/m1/s1
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<50n/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 US10562850 (2020)


BindingDB Entry DOI: 10.7270/Q2FR001P
More data for this
Ligand-Target Pair
Coagulation factor X and plasma kallikrein


(Homo sapiens (Human))
BDBM433385
PNG
(US10562850, Compound 65b)
Show SMILES CO[C@@H]1C[C@@H](N(C1)C(=O)Nc1ccc(Cl)cc1)C(=O)Nc1cc(ccc1F)C(N)(CCC1CC1)c1ccccn1
Show InChI InChI=1S/C30H33ClFN5O3/c1-40-23-17-26(37(18-23)29(39)35-22-10-8-21(31)9-11-22)28(38)36-25-16-20(7-12-24(25)32)30(33,14-13-19-5-6-19)27-4-2-3-15-34-27/h2-4,7-12,15-16,19,23,26H,5-6,13-14,17-18,33H2,1H3,(H,35,39)(H,36,38)/t23-,26-,30?/m1/s1
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<50n/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 US10562850 (2020)


BindingDB Entry DOI: 10.7270/Q2FR001P
More data for this
Ligand-Target Pair
Coagulation factor X and plasma kallikrein


(Homo sapiens (Human))
BDBM433403
PNG
(US10562850, Compound 34d)
Show SMILES CO[C@@]1(C[C@@H](N(C1)C(=O)Nc1ccc(Cl)cc1)C(=O)Nc1cc(ccc1F)C(N)(CCC1CC1)c1ccccn1)c1ccccc1
Show InChI InChI=1S/C36H37ClFN5O3/c1-46-35(25-7-3-2-4-8-25)22-31(43(23-35)34(45)41-28-15-13-27(37)14-16-28)33(44)42-30-21-26(12-17-29(30)38)36(39,19-18-24-10-11-24)32-9-5-6-20-40-32/h2-9,12-17,20-21,24,31H,10-11,18-19,22-23,39H2,1H3,(H,41,45)(H,42,44)/t31-,35-,36?/m1/s1
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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. In these experiments, 2...


US Patent US10562850 (2020)


BindingDB Entry DOI: 10.7270/Q2FR001P
More data for this
Ligand-Target Pair
Coagulation factor X and plasma kallikrein


(Homo sapiens (Human))
BDBM433407
PNG
(US10562850, Compound 14h)
Show SMILES NC(CCC1CC1)(c1cccc(c1)C#N)c1ccc(F)c(NC(=O)[C@H]2C[C@@H](O)CN2C(=O)Nc2ccc(Cl)cn2)c1
Show InChI InChI=1S/C30H30ClFN6O3/c31-22-7-9-27(35-16-22)37-29(41)38-17-23(39)14-26(38)28(40)36-25-13-21(6-8-24(25)32)30(34,11-10-18-4-5-18)20-3-1-2-19(12-20)15-33/h1-3,6-9,12-13,16,18,23,26,39H,4-5,10-11,14,17,34H2,(H,36,40)(H,35,37,41)/t23-,26-,30?/m1/s1
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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. In these experiments, 2...


US Patent US10562850 (2020)


BindingDB Entry DOI: 10.7270/Q2FR001P
More data for this
Ligand-Target Pair
Coagulation factor X and plasma kallikrein


(Homo sapiens (Human))
BDBM433460
PNG
(US10562850, Compound 74a)
Show SMILES CO[C@@H]1C[C@@H](N(C1)C(=O)Nc1ccc(Cl)cn1)C(=O)Nc1cc(ccc1F)C(CCC1CC1)(NS(C)(=O)=O)c1ccncc1
Show InChI InChI=1S/C30H34ClFN6O5S/c1-43-23-16-26(38(18-23)29(40)36-27-8-6-22(31)17-34-27)28(39)35-25-15-21(5-7-24(25)32)30(37-44(2,41)42,12-9-19-3-4-19)20-10-13-33-14-11-20/h5-8,10-11,13-15,17,19,23,26,37H,3-4,9,12,16,18H2,1-2H3,(H,35,39)(H,34,36,40)/t23-,26-,30?/m1/s1
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<50n/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 US10562850 (2020)


BindingDB Entry DOI: 10.7270/Q2FR001P
More data for this
Ligand-Target Pair
Coagulation factor X and plasma kallikrein


(Homo sapiens (Human))
BDBM433368
PNG
(US10562850, Compound 61b)
Show SMILES CC(C)(C)[S@](=O)NC(CCC1CC1)(c1ccc(F)c(NC(=O)[C@H]2C[C@@H](O)CN2C(=O)Nc2ccc(Cl)cc2)c1)c1ccccn1
Show InChI InChI=1S/C33H39ClFN5O4S/c1-32(2,3)45(44)39-33(16-15-21-7-8-21,29-6-4-5-17-36-29)22-9-14-26(35)27(18-22)38-30(42)28-19-25(41)20-40(28)31(43)37-24-12-10-23(34)11-13-24/h4-6,9-14,17-18,21,25,28,39,41H,7-8,15-16,19-20H2,1-3H3,(H,37,43)(H,38,42)/t25-,28-,33?,45+/m1/s1
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<50n/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 US10562850 (2020)


BindingDB Entry DOI: 10.7270/Q2FR001P
More data for this
Ligand-Target Pair
Coagulation factor X and plasma kallikrein


(Homo sapiens (Human))
BDBM433370
PNG
(US10562850, Compound 18b)
Show SMILES CO[C@@H]1C[C@@H](N(C1)C(=O)Nc1ccc(Cl)cn1)C(=O)Nc1cc(ccc1F)C(N)(CCC1CC1)c1cccc(c1)C#N
Show InChI InChI=1S/C31H32ClFN6O3/c1-42-24-15-27(39(18-24)30(41)38-28-10-8-23(32)17-36-28)29(40)37-26-14-22(7-9-25(26)33)31(35,12-11-19-5-6-19)21-4-2-3-20(13-21)16-34/h2-4,7-10,13-14,17,19,24,27H,5-6,11-12,15,18,35H2,1H3,(H,37,40)(H,36,38,41)/t24-,27-,31?/m1/s1
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<50n/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 US10562850 (2020)


BindingDB Entry DOI: 10.7270/Q2FR001P
More data for this
Ligand-Target Pair
Coagulation factor X and plasma kallikrein


(Homo sapiens (Human))
BDBM433397
PNG
(US10562850, Compound 32a)
Show SMILES NC(CCC1CC1)(c1ccc(F)c(NC(=O)[C@H]2C[C@@](O)(CN2C(=O)Nc2ccc(Cl)cn2)c2ccccc2)c1)c1ccccn1
Show InChI InChI=1S/C34H34ClFN6O3/c35-25-12-14-30(39-20-25)41-32(44)42-21-33(45,23-6-2-1-3-7-23)19-28(42)31(43)40-27-18-24(11-13-26(27)36)34(37,16-15-22-9-10-22)29-8-4-5-17-38-29/h1-8,11-14,17-18,20,22,28,45H,9-10,15-16,19,21,37H2,(H,40,43)(H,39,41,44)/t28-,33-,34?/m1/s1
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<50n/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 US10562850 (2020)


BindingDB Entry DOI: 10.7270/Q2FR001P
More data for this
Ligand-Target Pair
Coagulation factor X and plasma kallikrein


(Homo sapiens (Human))
BDBM433415
PNG
(US10562850, Compound 30a)
Show SMILES NC(CCC1CC1)(c1cccc(c1)C#N)c1ccc(F)c(NC(=O)[C@H]2C[C@@](O)(CN2C(=O)Nc2ccc(Cl)cc2)c2ccccc2)c1
Show InChI InChI=1S/C37H35ClFN5O3/c38-29-12-14-30(15-13-29)42-35(46)44-23-36(47,26-6-2-1-3-7-26)21-33(44)34(45)43-32-20-28(11-16-31(32)39)37(41,18-17-24-9-10-24)27-8-4-5-25(19-27)22-40/h1-8,11-16,19-20,24,33,47H,9-10,17-18,21,23,41H2,(H,42,46)(H,43,45)/t33-,36-,37?/m1/s1
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<50n/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 US10562850 (2020)


BindingDB Entry DOI: 10.7270/Q2FR001P
More data for this
Ligand-Target Pair
Coagulation factor X and plasma kallikrein


(Homo sapiens (Human))
BDBM433418
PNG
(US10562850, Compound 72c)
Show SMILES NC(CCC1CC1)(c1ccncc1)c1ccc(F)c(NC(=O)[C@H]2C[C@@H](O)CN2C(=O)Nc2ccc(Cl)cn2)c1
Show InChI InChI=1S/C28H30ClFN6O3/c29-20-4-6-25(33-15-20)35-27(39)36-16-21(37)14-24(36)26(38)34-23-13-19(3-5-22(23)30)28(31,10-7-17-1-2-17)18-8-11-32-12-9-18/h3-6,8-9,11-13,15,17,21,24,37H,1-2,7,10,14,16,31H2,(H,34,38)(H,33,35,39)/t21-,24-,28?/m1/s1
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<50n/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 US10562850 (2020)


BindingDB Entry DOI: 10.7270/Q2FR001P
More data for this
Ligand-Target Pair
Coagulation factor X and plasma kallikrein


(Homo sapiens (Human))
BDBM433435
PNG
(US10562850, Compound 41a)
Show SMILES CNC(CCC1CC1)(c1ccncc1)c1ccc(F)c(NC(=O)[C@H]2C[C@@](O)(CN2C(=O)Nc2ccc(Cl)cn2)c2ccccc2)c1
Show InChI InChI=1S/C35H36ClFN6O3/c1-38-35(16-13-23-7-8-23,25-14-17-39-18-15-25)26-9-11-28(37)29(19-26)41-32(44)30-20-34(46,24-5-3-2-4-6-24)22-43(30)33(45)42-31-12-10-27(36)21-40-31/h2-6,9-12,14-15,17-19,21,23,30,38,46H,7-8,13,16,20,22H2,1H3,(H,41,44)(H,40,42,45)/t30-,34-,35?/m1/s1
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<50n/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 US10562850 (2020)


BindingDB Entry DOI: 10.7270/Q2FR001P
More data for this
Ligand-Target Pair
Coagulation factor X and plasma kallikrein


(Homo sapiens (Human))
BDBM433367
PNG
(US10562850, Compound 17b)
Show SMILES CO[C@@H]1C[C@@H](N(C1)C(=O)Nc1ccc(Cl)cc1)C(=O)Nc1cc(ccc1F)C(N)(CCC1CC1)c1cccc(c1)C#N
Show InChI InChI=1S/C32H33ClFN5O3/c1-42-26-17-29(39(19-26)31(41)37-25-10-8-24(33)9-11-25)30(40)38-28-16-23(7-12-27(28)34)32(36,14-13-20-5-6-20)22-4-2-3-21(15-22)18-35/h2-4,7-12,15-16,20,26,29H,5-6,13-14,17,19,36H2,1H3,(H,37,41)(H,38,40)/t26-,29-,32?/m1/s1
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75n/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 US10562850 (2020)


BindingDB Entry DOI: 10.7270/Q2FR001P
More data for this
Ligand-Target Pair
Coagulation factor X and plasma kallikrein


(Homo sapiens (Human))
BDBM433366
PNG
(US10562850, Compound 1p | US10562850, Compound 3a)
Show SMILES O[C@@H]1C[C@@H](N(C1)C(=O)Nc1ccc(Cl)cc1)C(=O)Nc1cc(ccc1F)C(NCC1CC1)c1ccccc1
Show InChI InChI=1S/C29H30ClFN4O3/c30-21-9-11-22(12-10-21)33-29(38)35-17-23(36)15-26(35)28(37)34-25-14-20(8-13-24(25)31)27(32-16-18-6-7-18)19-4-2-1-3-5-19/h1-5,8-14,18,23,26-27,32,36H,6-7,15-17H2,(H,33,38)(H,34,37)/t23-,26-,27?/m1/s1
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75n/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 US10562850 (2020)


BindingDB Entry DOI: 10.7270/Q2FR001P
More data for this
Ligand-Target Pair
Coagulation factor X and plasma kallikrein


(Homo sapiens (Human))
BDBM433375
PNG
(US10562850, Compound 4g)
Show SMILES NC(CCC1CC1)(c1cccc(c1)C#N)c1ccc(F)c(NC(=O)[C@H]2C[C@@H](O)CN2C(=O)Nc2ccc(Cl)cc2)c1
Show InChI InChI=1S/C31H31ClFN5O3/c32-23-7-9-24(10-8-23)36-30(41)38-18-25(39)16-28(38)29(40)37-27-15-22(6-11-26(27)33)31(35,13-12-19-4-5-19)21-3-1-2-20(14-21)17-34/h1-3,6-11,14-15,19,25,28,39H,4-5,12-13,16,18,35H2,(H,36,41)(H,37,40)/t25-,28-,31?/m1/s1
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75n/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 US10562850 (2020)


BindingDB Entry DOI: 10.7270/Q2FR001P
More data for this
Ligand-Target Pair
Coagulation factor X and plasma kallikrein


(Homo sapiens (Human))
BDBM433445
PNG
(US10562850, Compound 49d)
Show SMILES C[C@@H]1C[C@@H](N(C1)C(=O)Nc1ccc(Cl)cn1)C(=O)Nc1cc(ccc1F)C(N)(CCC1CC1)c1ccncc1
Show InChI InChI=1S/C29H32ClFN6O2/c1-18-14-25(37(17-18)28(39)36-26-7-5-22(30)16-34-26)27(38)35-24-15-21(4-6-23(24)31)29(32,11-8-19-2-3-19)20-9-12-33-13-10-20/h4-7,9-10,12-13,15-16,18-19,25H,2-3,8,11,14,17,32H2,1H3,(H,35,38)(H,34,36,39)/t18-,25-,29?/m1/s1
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75n/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 US10562850 (2020)


BindingDB Entry DOI: 10.7270/Q2FR001P
More data for this
Ligand-Target Pair
Coagulation factor X and plasma kallikrein


(Homo sapiens (Human))
BDBM433377
PNG
(US10562850, Compound 63g)
Show SMILES NC(CCC1CC1)(c1ccc(cc1)C#N)c1ccc(F)c(NC(=O)[C@H]2C[C@@H](O)CN2C(=O)Nc2ccc(Cl)cc2)c1
Show InChI InChI=1S/C31H31ClFN5O3/c32-23-8-10-24(11-9-23)36-30(41)38-18-25(39)16-28(38)29(40)37-27-15-22(7-12-26(27)33)31(35,14-13-19-1-2-19)21-5-3-20(17-34)4-6-21/h3-12,15,19,25,28,39H,1-2,13-14,16,18,35H2,(H,36,41)(H,37,40)/t25-,28-,31?/m1/s1
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75n/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 US10562850 (2020)


BindingDB Entry DOI: 10.7270/Q2FR001P
More data for this
Ligand-Target Pair
Coagulation factor X and plasma kallikrein


(Homo sapiens (Human))
BDBM433393
PNG
(US10562850, Compound 23b)
Show SMILES NC(CCC1CC1)(c1cccc(c1)C#N)c1ccc(F)c(NC(=O)[C@H]2C[C@@H](O)CN2C(=O)Nc2ccc(Br)cc2)c1
Show InChI InChI=1S/C31H31BrFN5O3/c32-23-7-9-24(10-8-23)36-30(41)38-18-25(39)16-28(38)29(40)37-27-15-22(6-11-26(27)33)31(35,13-12-19-4-5-19)21-3-1-2-20(14-21)17-34/h1-3,6-11,14-15,19,25,28,39H,4-5,12-13,16,18,35H2,(H,36,41)(H,37,40)/t25-,28-,31?/m1/s1
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75n/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 US10562850 (2020)


BindingDB Entry DOI: 10.7270/Q2FR001P
More data for this
Ligand-Target Pair
Coagulation factor X and plasma kallikrein


(Homo sapiens (Human))
BDBM433424
PNG
(US10562850, Compound 4f)
Show SMILES CC(C)(C)[S@@](=O)NC(CCC1CC1)(c1cccc(c1)C#N)c1ccc(F)c(NC(=O)[C@H]2C[C@@H](O)CN2C(=O)Nc2ccc(Cl)cc2)c1
Show InChI InChI=1S/C35H39ClFN5O4S/c1-34(2,3)47(46)41-35(16-15-22-7-8-22,24-6-4-5-23(17-24)20-38)25-9-14-29(37)30(18-25)40-32(44)31-19-28(43)21-42(31)33(45)39-27-12-10-26(36)11-13-27/h4-6,9-14,17-18,22,28,31,41,43H,7-8,15-16,19,21H2,1-3H3,(H,39,45)(H,40,44)/t28-,31-,35?,47-/m1/s1
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75n/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 US10562850 (2020)


BindingDB Entry DOI: 10.7270/Q2FR001P
More data for this
Ligand-Target Pair
Coagulation factor X and plasma kallikrein


(Homo sapiens (Human))
BDBM433449
PNG
(US10562850, Compound 42l | US10562850, Compound 43...)
Show SMILES CO[C@@H]1C[C@@H](N(C1)C(=O)Nc1ccc(Cl)cn1)C(=O)Nc1cc(ccc1F)C(CCC1CC1)n1ccccc1=O
Show InChI InChI=1S/C29H31ClFN5O4/c1-40-21-15-25(36(17-21)29(39)34-26-12-9-20(30)16-32-26)28(38)33-23-14-19(8-10-22(23)31)24(11-7-18-5-6-18)35-13-3-2-4-27(35)37/h2-4,8-10,12-14,16,18,21,24-25H,5-7,11,15,17H2,1H3,(H,33,38)(H,32,34,39)/t21-,24?,25-/m1/s1
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75n/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 US10562850 (2020)


BindingDB Entry DOI: 10.7270/Q2FR001P
More data for this
Ligand-Target Pair
Coagulation factor X and plasma kallikrein


(Homo sapiens (Human))
BDBM433406
PNG
(US10562850, Compound 35a)
Show SMILES CO[C@@]1(C[C@@H](N(C1)C(=O)Nc1ccc(Cl)cn1)C(=O)Nc1cc(ccc1F)C(N)(CCC1CC1)c1ccccn1)c1ccccc1
Show InChI InChI=1S/C35H36ClFN6O3/c1-46-34(24-7-3-2-4-8-24)20-29(43(22-34)33(45)42-31-15-13-26(36)21-40-31)32(44)41-28-19-25(12-14-27(28)37)35(38,17-16-23-10-11-23)30-9-5-6-18-39-30/h2-9,12-15,18-19,21,23,29H,10-11,16-17,20,22,38H2,1H3,(H,41,44)(H,40,42,45)/t29-,34-,35?/m1/s1
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75n/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 US10562850 (2020)


BindingDB Entry DOI: 10.7270/Q2FR001P
More data for this
Ligand-Target Pair
Coagulation factor X and plasma kallikrein


(Homo sapiens (Human))
BDBM433371
PNG
(US10562850, Compound 30b)
Show SMILES O[C@@]1(C[C@@H](N(C1)C(=O)Nc1ccc(Cl)cc1)C(=O)Nc1cc(ccc1F)C(CCC1CC1)(NC(=O)Nc1ccc(Cl)cc1)c1cccc(c1)C#N)c1ccccc1
Show InChI InChI=1S/C44H39Cl2FN6O4/c45-33-12-16-35(17-13-33)49-41(55)52-44(22-21-28-9-10-28,31-8-4-5-29(23-31)26-48)32-11-20-37(47)38(24-32)51-40(54)39-25-43(57,30-6-2-1-3-7-30)27-53(39)42(56)50-36-18-14-34(46)15-19-36/h1-8,11-20,23-24,28,39,57H,9-10,21-22,25,27H2,(H,50,56)(H,51,54)(H2,49,52,55)/t39-,43-,44?/m1/s1
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75n/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 US10562850 (2020)


BindingDB Entry DOI: 10.7270/Q2FR001P
More data for this
Ligand-Target Pair
Coagulation factor X and plasma kallikrein


(Homo sapiens (Human))
BDBM433438
PNG
(US10562850, Compound 47d)
Show SMILES NC(CCC1CC1)(c1ccncc1)c1ccc(F)c(NC(=O)[C@H]2C[C@@H](CN2C(=O)Nc2ccc(Cl)cn2)c2ccccc2)c1
Show InChI InChI=1S/C34H34ClFN6O2/c35-27-9-11-31(39-20-27)41-33(44)42-21-24(23-4-2-1-3-5-23)18-30(42)32(43)40-29-19-26(8-10-28(29)36)34(37,15-12-22-6-7-22)25-13-16-38-17-14-25/h1-5,8-11,13-14,16-17,19-20,22,24,30H,6-7,12,15,18,21,37H2,(H,40,43)(H,39,41,44)/t24-,30+,34?/m0/s1
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75n/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 US10562850 (2020)


BindingDB Entry DOI: 10.7270/Q2FR001P
More data for this
Ligand-Target Pair
Coagulation factor X and plasma kallikrein


(Homo sapiens (Human))
BDBM433459
PNG
(US10562850, Compound 80c)
Show SMILES NC(CCC1CC1)(c1ccncc1)c1ccc(F)c(NC(=O)[C@H]2C[C@H]3C[C@H]3N2)c1
Show InChI InChI=1S/C23H27FN4O/c24-18-4-3-17(13-20(18)28-22(29)21-12-15-11-19(15)27-21)23(25,8-5-14-1-2-14)16-6-9-26-10-7-16/h3-4,6-7,9-10,13-15,19,21,27H,1-2,5,8,11-12,25H2,(H,28,29)/t15-,19-,21-,23?/m1/s1
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75n/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 US10562850 (2020)


BindingDB Entry DOI: 10.7270/Q2FR001P
More data for this
Ligand-Target Pair
Coagulation factor X and plasma kallikrein


(Homo sapiens (Human))
BDBM433369
PNG
(US10562850, Compound 2a)
Show SMILES O[C@@H]1C[C@@H](N(C1)C(=O)Nc1ccc(Cl)cc1)C(=O)Nc1ccccc1F
Show InChI InChI=1S/C18H17ClFN3O3/c19-11-5-7-12(8-6-11)21-18(26)23-10-13(24)9-16(23)17(25)22-15-4-2-1-3-14(15)20/h1-8,13,16,24H,9-10H2,(H,21,26)(H,22,25)/t13-,16-/m1/s1
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>100n/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 US10562850 (2020)


BindingDB Entry DOI: 10.7270/Q2FR001P
More data for this
Ligand-Target Pair
Coagulation factor X and plasma kallikrein


(Homo sapiens (Human))
BDBM433458
PNG
(US10562850, Compound 5d)
Show SMILES CC(C)(C)[S@@](=O)NC(CCC1CC1)(c1cccc(c1)C#N)c1ccc(F)c(NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)Nc2ccc(Cl)cc2)c1
Show InChI InChI=1S/C35H39ClFN5O4S/c1-34(2,3)47(46)41-35(16-15-22-7-8-22,24-6-4-5-23(17-24)20-38)25-9-14-29(37)30(18-25)40-32(44)31-19-28(43)21-42(31)33(45)39-27-12-10-26(36)11-13-27/h4-6,9-14,17-18,22,28,31,41,43H,7-8,15-16,19,21H2,1-3H3,(H,39,45)(H,40,44)/t28-,31+,35?,47-/m1/s1
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>100n/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 US10562850 (2020)


BindingDB Entry DOI: 10.7270/Q2FR001P
More data for this
Ligand-Target Pair
Coagulation factor X and plasma kallikrein


(Homo sapiens (Human))
BDBM433462
PNG
(US10562850, Compound 82a)
Show SMILES CO[C@@H]1C[C@@H](N(C1)C(=O)c1ccc2cc[nH]c2c1)C(=O)Nc1cc(ccc1F)C(N)(CCC1CC1)c1ccncc1
Show InChI InChI=1S/C32H34FN5O3/c1-41-25-18-29(38(19-25)31(40)22-5-4-21-9-15-36-27(21)16-22)30(39)37-28-17-24(6-7-26(28)33)32(34,12-8-20-2-3-20)23-10-13-35-14-11-23/h4-7,9-11,13-17,20,25,29,36H,2-3,8,12,18-19,34H2,1H3,(H,37,39)/t25-,29-,32?/m1/s1
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>100n/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 US10562850 (2020)


BindingDB Entry DOI: 10.7270/Q2FR001P
More data for this
Ligand-Target Pair
Coagulation factor X and plasma kallikrein


(Homo sapiens (Human))
BDBM433464
PNG
(US10562850, Compound 6c)
Show SMILES CO[C@@H]1C[C@@H](N(C1)C(=O)N(C)c1ccc(Cl)cc1)C(=O)Nc1cc(ccc1F)C(CCC1CC1)(N[S@](=O)C(C)(C)C)c1cccc(c1)C#N
Show InChI InChI=1S/C37H43ClFN5O4S/c1-36(2,3)49(47)42-37(18-17-24-9-10-24,26-8-6-7-25(19-26)22-40)27-11-16-31(39)32(20-27)41-34(45)33-21-30(48-5)23-44(33)35(46)43(4)29-14-12-28(38)13-15-29/h6-8,11-16,19-20,24,30,33,42H,9-10,17-18,21,23H2,1-5H3,(H,41,45)/t30-,33-,37?,49-/m1/s1
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>100n/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 US10562850 (2020)


BindingDB Entry DOI: 10.7270/Q2FR001P
More data for this
Ligand-Target Pair
Coagulation factor X and plasma kallikrein


(Homo sapiens (Human))
BDBM433467
PNG
(US10562850, Compound 7b)
Show SMILES CC(C)(C)[S@@](=O)NC(CCC1CC1)(c1cccc(c1)C#N)c1ccc(F)c(NC(=O)[C@H]2CCCN2C(=O)Nc2ccc(Cl)cc2)c1
Show InChI InChI=1S/C35H39ClFN5O3S/c1-34(2,3)46(45)41-35(18-17-23-9-10-23,25-7-4-6-24(20-25)22-38)26-11-16-29(37)30(21-26)40-32(43)31-8-5-19-42(31)33(44)39-28-14-12-27(36)13-15-28/h4,6-7,11-16,20-21,23,31,41H,5,8-10,17-19H2,1-3H3,(H,39,44)(H,40,43)/t31-,35?,46-/m1/s1
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>100n/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 US10562850 (2020)


BindingDB Entry DOI: 10.7270/Q2FR001P
More data for this
Ligand-Target Pair
Coagulation factor X and plasma kallikrein


(Homo sapiens (Human))
BDBM433392
PNG
(US10562850, Compound 8c)
Show SMILES NC(CCC1CC1)(c1cccc(c1)C#N)c1ccc(F)c(NC(=O)[C@@H]2CCCN2C(=O)Nc2ccc(Cl)cc2)c1
Show InChI InChI=1S/C31H31ClFN5O2/c32-24-9-11-25(12-10-24)36-30(40)38-16-2-5-28(38)29(39)37-27-18-23(8-13-26(27)33)31(35,15-14-20-6-7-20)22-4-1-3-21(17-22)19-34/h1,3-4,8-13,17-18,20,28H,2,5-7,14-16,35H2,(H,36,40)(H,37,39)/t28-,31?/m0/s1
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>100n/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 US10562850 (2020)


BindingDB Entry DOI: 10.7270/Q2FR001P
More data for this
Ligand-Target Pair
Coagulation factor X and plasma kallikrein


(Homo sapiens (Human))
BDBM433396
PNG
(US10562850, Compound 24b)
Show SMILES NC(CCC1CC1)(c1cccc(c1)C#N)c1ccc(F)c(NC(=O)[C@H]2C[C@@H](O)CN2C(=O)Nc2ccc(F)cc2)c1
Show InChI InChI=1S/C31H31F2N5O3/c32-23-7-9-24(10-8-23)36-30(41)38-18-25(39)16-28(38)29(40)37-27-15-22(6-11-26(27)33)31(35,13-12-19-4-5-19)21-3-1-2-20(14-21)17-34/h1-3,6-11,14-15,19,25,28,39H,4-5,12-13,16,18,35H2,(H,36,41)(H,37,40)/t25-,28-,31?/m1/s1
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>100n/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 US10562850 (2020)


BindingDB Entry DOI: 10.7270/Q2FR001P
More data for this
Ligand-Target Pair
Coagulation factor X and plasma kallikrein


(Homo sapiens (Human))
BDBM433408
PNG
(US10562850, Compound 28b)
Show SMILES Nc1ccc(NC(=O)N2C[C@H](O)C[C@@H]2C(=O)Nc2cc(ccc2F)C(N)(CCC2CC2)c2cccc(c2)C#N)cc1
Show InChI InChI=1S/C31H33FN6O3/c32-26-11-6-22(31(35,13-12-19-4-5-19)21-3-1-2-20(14-21)17-33)15-27(26)37-29(40)28-16-25(39)18-38(28)30(41)36-24-9-7-23(34)8-10-24/h1-3,6-11,14-15,19,25,28,39H,4-5,12-13,16,18,34-35H2,(H,36,41)(H,37,40)/t25-,28-,31?/m1/s1
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>100n/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 US10562850 (2020)


BindingDB Entry DOI: 10.7270/Q2FR001P
More data for this
Ligand-Target Pair
Coagulation factor X and plasma kallikrein


(Homo sapiens (Human))
BDBM433440
PNG
(US10562850, Compound 29d)
Show SMILES NC(CCC1CC1)(c1cccc(c1)C#N)c1ccc(F)c(NC(=O)[C@H]2C[C@@](O)(CN2)c2ccccc2)c1
Show InChI InChI=1S/C30H31FN4O2/c31-25-12-11-24(30(33,14-13-20-9-10-20)23-8-4-5-21(15-23)18-32)16-26(25)35-28(36)27-17-29(37,19-34-27)22-6-2-1-3-7-22/h1-8,11-12,15-16,20,27,34,37H,9-10,13-14,17,19,33H2,(H,35,36)/t27-,29-,30?/m1/s1
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>100n/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 US10562850 (2020)


BindingDB Entry DOI: 10.7270/Q2FR001P
More data for this
Ligand-Target Pair
Coagulation factor X and plasma kallikrein


(Homo sapiens (Human))
BDBM433444
PNG
(US10562850, Compound 33b)
Show SMILES CC(C)(C)[S@@](=O)NC(CCC1CC1)(c1cccc(c1)C#N)c1ccc(F)c(NC(=O)[C@H]2C[C@@H](CN2C(=O)Nc2ccc(Cl)cc2)N=[N+]=[N-])c1
Show InChI InChI=1S/C35H38ClFN8O3S/c1-34(2,3)49(48)43-35(16-15-22-7-8-22,24-6-4-5-23(17-24)20-38)25-9-14-29(37)30(18-25)41-32(46)31-19-28(42-44-39)21-45(31)33(47)40-27-12-10-26(36)11-13-27/h4-6,9-14,17-18,22,28,31,43H,7-8,15-16,19,21H2,1-3H3,(H,40,47)(H,41,46)/t28-,31+,35?,49+/m0/s1
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>100n/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 US10562850 (2020)


BindingDB Entry DOI: 10.7270/Q2FR001P
More data for this
Ligand-Target Pair
Coagulation factor X and plasma kallikrein


(Homo sapiens (Human))
BDBM433461
PNG
(US10562850, Compound 6d)
Show SMILES CO[C@@H]1C[C@H](N(C1)C(=O)N(C)c1ccc(Cl)cc1)C(=O)Nc1cc(ccc1F)C(CCC1CC1)(N[S@](=O)C(C)(C)C)c1cccc(c1)C#N
Show InChI InChI=1S/C37H43ClFN5O4S/c1-36(2,3)49(47)42-37(18-17-24-9-10-24,26-8-6-7-25(19-26)22-40)27-11-16-31(39)32(20-27)41-34(45)33-21-30(48-5)23-44(33)35(46)43(4)29-14-12-28(38)13-15-29/h6-8,11-16,19-20,24,30,33,42H,9-10,17-18,21,23H2,1-5H3,(H,41,45)/t30-,33+,37?,49-/m1/s1
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>100n/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 US10562850 (2020)


BindingDB Entry DOI: 10.7270/Q2FR001P
More data for this
Ligand-Target Pair
Coagulation factor X and plasma kallikrein


(Homo sapiens (Human))
BDBM433472
PNG
(US10562850, Compound 86a)
Show SMILES CO[C@@H]1C[C@@H](N(C1)C(=O)c1cccc(c1)C#N)C(=O)Nc1cc(ccc1F)C(N)(CCC1CC1)c1ccncc1
Show InChI InChI=1S/C31H32FN5O3/c1-40-25-17-28(37(19-25)30(39)22-4-2-3-21(15-22)18-33)29(38)36-27-16-24(7-8-26(27)32)31(34,12-9-20-5-6-20)23-10-13-35-14-11-23/h2-4,7-8,10-11,13-16,20,25,28H,5-6,9,12,17,19,34H2,1H3,(H,36,38)/t25-,28-,31?/m1/s1
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>100n/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 US10562850 (2020)


BindingDB Entry DOI: 10.7270/Q2FR001P
More data for this
Ligand-Target Pair
Coagulation factor X and plasma kallikrein


(Homo sapiens (Human))
BDBM433378
PNG
(US10562850, Compound 5e)
Show SMILES NC(CCC1CC1)(c1cccc(c1)C#N)c1ccc(F)c(NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)Nc2ccc(Cl)cc2)c1
Show InChI InChI=1S/C31H31ClFN5O3/c32-23-7-9-24(10-8-23)36-30(41)38-18-25(39)16-28(38)29(40)37-27-15-22(6-11-26(27)33)31(35,13-12-19-4-5-19)21-3-1-2-20(14-21)17-34/h1-3,6-11,14-15,19,25,28,39H,4-5,12-13,16,18,35H2,(H,36,41)(H,37,40)/t25-,28+,31?/m1/s1
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>100n/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 US10562850 (2020)


BindingDB Entry DOI: 10.7270/Q2FR001P
More data for this
Ligand-Target Pair
Coagulation factor X and plasma kallikrein


(Homo sapiens (Human))
BDBM433389
PNG
(US10562850, Compound 7c)
Show SMILES NC(CCC1CC1)(c1cccc(c1)C#N)c1ccc(F)c(NC(=O)[C@H]2CCCN2C(=O)Nc2ccc(Cl)cc2)c1
Show InChI InChI=1S/C31H31ClFN5O2/c32-24-9-11-25(12-10-24)36-30(40)38-16-2-5-28(38)29(39)37-27-18-23(8-13-26(27)33)31(35,15-14-20-6-7-20)22-4-1-3-21(17-22)19-34/h1,3-4,8-13,17-18,20,28H,2,5-7,14-16,35H2,(H,36,40)(H,37,39)/t28-,31?/m1/s1
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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. In these experiments, 2...


US Patent US10562850 (2020)


BindingDB Entry DOI: 10.7270/Q2FR001P
More data for this
Ligand-Target Pair
Coagulation factor X and plasma kallikrein


(Homo sapiens (Human))
BDBM433388
PNG
(US10562850, Compound 36d | US10562850, Compound 37...)
Show SMILES CO[C@@H]1C[C@@H](N(C1)C(=O)Nc1ccc(Cl)cn1)C(=O)Nc1cc(ccc1F)C(N)(CCC1CC1)c1ccccn1
Show InChI InChI=1S/C29H32ClFN6O3/c1-40-21-15-24(37(17-21)28(39)36-26-10-8-20(30)16-34-26)27(38)35-23-14-19(7-9-22(23)31)29(32,12-11-18-5-6-18)25-4-2-3-13-33-25/h2-4,7-10,13-14,16,18,21,24H,5-6,11-12,15,17,32H2,1H3,(H,35,38)(H,34,36,39)/t21-,24-,29?/m1/s1
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>100n/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 US10562850 (2020)


BindingDB Entry DOI: 10.7270/Q2FR001P
More data for this
Ligand-Target Pair
Coagulation factor X and plasma kallikrein


(Homo sapiens (Human))
BDBM433425
PNG
(US10562850, Compound 67b)
Show SMILES CCNC(CCC1CC1)(c1ccccc1)c1ccc(F)c(NC(=O)[C@H]2C[C@H](CN2C(=O)Nc2ccc(Cl)cn2)OC)c1
Show InChI InChI=1S/C32H37ClFN5O3/c1-3-36-32(16-15-21-9-10-21,22-7-5-4-6-8-22)23-11-13-26(34)27(17-23)37-30(40)28-18-25(42-2)20-39(28)31(41)38-29-14-12-24(33)19-35-29/h4-8,11-14,17,19,21,25,28,36H,3,9-10,15-16,18,20H2,1-2H3,(H,37,40)(H,35,38,41)/t25-,28-,32?/m1/s1
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>100n/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 US10562850 (2020)


BindingDB Entry DOI: 10.7270/Q2FR001P
More data for this
Ligand-Target Pair
Coagulation factor X and plasma kallikrein


(Homo sapiens (Human))
BDBM433436
PNG
(US10562850, Compound 27a)
Show SMILES CC(C)(C)[S@@](=O)NC(CCC1CC1)(c1cccc(c1)C#N)c1ccc(F)c(NC(=O)[C@H]2C[C@@H](O)CN2C(=O)Nc2ccc(cc2)C(F)(F)F)c1
Show InChI InChI=1S/C36H39F4N5O4S/c1-34(2,3)50(49)44-35(16-15-22-7-8-22,25-6-4-5-23(17-25)20-41)26-11-14-29(37)30(18-26)43-32(47)31-19-28(46)21-45(31)33(48)42-27-12-9-24(10-13-27)36(38,39)40/h4-6,9-14,17-18,22,28,31,44,46H,7-8,15-16,19,21H2,1-3H3,(H,42,48)(H,43,47)/t28-,31-,35?,50-/m1/s1
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>100n/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 US10562850 (2020)


BindingDB Entry DOI: 10.7270/Q2FR001P
More data for this
Ligand-Target Pair
Coagulation factor X and plasma kallikrein


(Homo sapiens (Human))
BDBM433470
PNG
(US10562850, Compound 8b)
Show SMILES CC(C)(C)[S@@](=O)NC(CCC1CC1)(c1cccc(c1)C#N)c1ccc(F)c(NC(=O)[C@@H]2CCCN2C(=O)Nc2ccc(Cl)cc2)c1
Show InChI InChI=1S/C35H39ClFN5O3S/c1-34(2,3)46(45)41-35(18-17-23-9-10-23,25-7-4-6-24(20-25)22-38)26-11-16-29(37)30(21-26)40-32(43)31-8-5-19-42(31)33(44)39-28-14-12-27(36)13-15-28/h4,6-7,11-16,20-21,23,31,41H,5,8-10,17-19H2,1-3H3,(H,39,44)(H,40,43)/t31-,35?,46+/m0/s1
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>100n/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 US10562850 (2020)


BindingDB Entry DOI: 10.7270/Q2FR001P
More data for this
Ligand-Target Pair
Coagulation factor X and plasma kallikrein


(Homo sapiens (Human))
BDBM433473
PNG
(US10562850, Compound 87b)
Show SMILES CO[C@@H]1C[C@@H](N(C1)S(=O)(=O)c1cccc2c(Cl)cccc12)C(=O)Nc1cc(ccc1F)C(CCC1CC1)(N[S@](=O)C(C)(C)C)c1ccncc1
Show InChI InChI=1S/C37H42ClFN4O5S2/c1-36(2,3)49(45)42-37(18-15-24-11-12-24,25-16-19-40-20-17-25)26-13-14-31(39)32(21-26)41-35(44)33-22-27(48-4)23-43(33)50(46,47)34-10-6-7-28-29(34)8-5-9-30(28)38/h5-10,13-14,16-17,19-21,24,27,33,42H,11-12,15,18,22-23H2,1-4H3,(H,41,44)/t27-,33-,37?,49-/m1/s1
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>100n/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 US10562850 (2020)


BindingDB Entry DOI: 10.7270/Q2FR001P
More data for this
Ligand-Target Pair
Coagulation factor X and plasma kallikrein


(Homo sapiens (Human))
BDBM433366
PNG
(US10562850, Compound 1p | US10562850, Compound 3a)
Show SMILES O[C@@H]1C[C@@H](N(C1)C(=O)Nc1ccc(Cl)cc1)C(=O)Nc1cc(ccc1F)C(NCC1CC1)c1ccccc1
Show InChI InChI=1S/C29H30ClFN4O3/c30-21-9-11-22(12-10-21)33-29(38)35-17-23(36)15-26(35)28(37)34-25-14-20(8-13-24(25)31)27(32-16-18-6-7-18)19-4-2-1-3-5-19/h1-5,8-14,18,23,26-27,32,36H,6-7,15-17H2,(H,33,38)(H,34,37)/t23-,26-,27?/m1/s1
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>100n/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 US10562850 (2020)


BindingDB Entry DOI: 10.7270/Q2FR001P
More data for this
Ligand-Target Pair
Coagulation factor X and plasma kallikrein


(Homo sapiens (Human))
BDBM433383
PNG
(US10562850, Compound 6f)
Show SMILES CO[C@@H]1C[C@H](N(C1)C(=O)N(C)c1ccc(Cl)cc1)C(=O)Nc1cc(ccc1F)C(N)(CCC1CC1)c1cccc(c1)C#N
Show InChI InChI=1S/C33H35ClFN5O3/c1-39(26-11-9-25(34)10-12-26)32(42)40-20-27(43-2)18-30(40)31(41)38-29-17-24(8-13-28(29)35)33(37,15-14-21-6-7-21)23-5-3-4-22(16-23)19-36/h3-5,8-13,16-17,21,27,30H,6-7,14-15,18,20,37H2,1-2H3,(H,38,41)/t27-,30+,33?/m1/s1
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>100n/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 US10562850 (2020)


BindingDB Entry DOI: 10.7270/Q2FR001P
More data for this
Ligand-Target Pair
Coagulation factor X and plasma kallikrein


(Homo sapiens (Human))
BDBM433395
PNG
(US10562850, Compound 9c)
Show SMILES NC(CCC1CC1)(c1cccc(c1)C#N)c1ccc(F)c(NC(=O)[C@H]2C[C@H](O)CN2C(=O)Nc2ccc(Cl)cc2)c1
Show InChI InChI=1S/C31H31ClFN5O3/c32-23-7-9-24(10-8-23)36-30(41)38-18-25(39)16-28(38)29(40)37-27-15-22(6-11-26(27)33)31(35,13-12-19-4-5-19)21-3-1-2-20(14-21)17-34/h1-3,6-11,14-15,19,25,28,39H,4-5,12-13,16,18,35H2,(H,36,41)(H,37,40)/t25-,28+,31?/m0/s1
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>100n/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 US10562850 (2020)


BindingDB Entry DOI: 10.7270/Q2FR001P
More data for this
Ligand-Target Pair
Coagulation factor X and plasma kallikrein


(Homo sapiens (Human))
BDBM433398
PNG
(US10562850, Compound 10c)
Show SMILES NC(CCC1CC1)(c1cccc(c1)C#N)c1ccc(F)c(NC(=O)[C@@H]2C[C@H](O)CN2C(=O)Nc2ccc(Cl)cc2)c1
Show InChI InChI=1S/C31H31ClFN5O3/c32-23-7-9-24(10-8-23)36-30(41)38-18-25(39)16-28(38)29(40)37-27-15-22(6-11-26(27)33)31(35,13-12-19-4-5-19)21-3-1-2-20(14-21)17-34/h1-3,6-11,14-15,19,25,28,39H,4-5,12-13,16,18,35H2,(H,36,41)(H,37,40)/t25-,28-,31?/m0/s1
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>100n/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 US10562850 (2020)


BindingDB Entry DOI: 10.7270/Q2FR001P
More data for this
Ligand-Target Pair
Coagulation factor X and plasma kallikrein


(Homo sapiens (Human))
BDBM433405
PNG
(US10562850, Compound 27b)
Show SMILES NC(CCC1CC1)(c1cccc(c1)C#N)c1ccc(F)c(NC(=O)[C@H]2C[C@@H](O)CN2C(=O)Nc2ccc(cc2)C(F)(F)F)c1
Show InChI InChI=1S/C32H31F4N5O3/c33-26-11-8-23(31(38,13-12-19-4-5-19)22-3-1-2-20(14-22)17-37)15-27(26)40-29(43)28-16-25(42)18-41(28)30(44)39-24-9-6-21(7-10-24)32(34,35)36/h1-3,6-11,14-15,19,25,28,42H,4-5,12-13,16,18,38H2,(H,39,44)(H,40,43)/t25-,28-,31?/m1/s1
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>100n/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 US10562850 (2020)


BindingDB Entry DOI: 10.7270/Q2FR001P
More data for this
Ligand-Target Pair
Coagulation factor X and plasma kallikrein


(Homo sapiens (Human))
BDBM433411
PNG
(US10562850, Compound 15f)
Show SMILES CO[C@@H]1C[C@@H](N(C1)C(=O)Nc1ccc(cc1)C#N)C(=O)Nc1cc(ccc1F)C(N)(CCC1CC1)c1cccc(c1)C#N
Show InChI InChI=1S/C33H33FN6O3/c1-43-27-17-30(40(20-27)32(42)38-26-10-7-22(18-35)8-11-26)31(41)39-29-16-25(9-12-28(29)34)33(37,14-13-21-5-6-21)24-4-2-3-23(15-24)19-36/h2-4,7-12,15-16,21,27,30H,5-6,13-14,17,20,37H2,1H3,(H,38,42)(H,39,41)/t27-,30-,33?/m1/s1
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>100n/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 US10562850 (2020)


BindingDB Entry DOI: 10.7270/Q2FR001P
More data for this
Ligand-Target Pair
Coagulation factor X and plasma kallikrein


(Homo sapiens (Human))
BDBM433417
PNG
(US10562850, Compound 60a)
Show SMILES O[C@@H]1C[C@@H](N(C1)C(=O)Nc1ccc(Cl)cc1)C(=O)Nc1cc(ccc1F)[C@H](NCC1CC1)c1cccc(c1)C#N
Show InChI InChI=1S/C30H29ClFN5O3/c31-22-7-9-23(10-8-22)35-30(40)37-17-24(38)14-27(37)29(39)36-26-13-21(6-11-25(26)32)28(34-16-18-4-5-18)20-3-1-2-19(12-20)15-33/h1-3,6-13,18,24,27-28,34,38H,4-5,14,16-17H2,(H,35,40)(H,36,39)/t24-,27-,28-/m1/s1
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>100n/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 US10562850 (2020)


BindingDB Entry DOI: 10.7270/Q2FR001P
More data for this
Ligand-Target Pair
Coagulation factor X and plasma kallikrein


(Homo sapiens (Human))
BDBM433421
PNG
(US10562850, Compound 10b)
Show SMILES CC(C)(C)[S@@](=O)NC(CCC1CC1)(c1cccc(c1)C#N)c1ccc(F)c(NC(=O)[C@@H]2C[C@H](O)CN2C(=O)Nc2ccc(Cl)cc2)c1
Show InChI InChI=1S/C35H39ClFN5O4S/c1-34(2,3)47(46)41-35(16-15-22-7-8-22,24-6-4-5-23(17-24)20-38)25-9-14-29(37)30(18-25)40-32(44)31-19-28(43)21-42(31)33(45)39-27-12-10-26(36)11-13-27/h4-6,9-14,17-18,22,28,31,41,43H,7-8,15-16,19,21H2,1-3H3,(H,39,45)(H,40,44)/t28-,31-,35?,47+/m0/s1
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>100n/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 US10562850 (2020)


BindingDB Entry DOI: 10.7270/Q2FR001P
More data for this
Ligand-Target Pair
Coagulation factor X and plasma kallikrein


(Homo sapiens (Human))
BDBM433427
PNG
(US10562850, Compound 9b)
Show SMILES CC(C)(C)[S@@](=O)NC(CCC1CC1)(c1cccc(c1)C#N)c1ccc(F)c(NC(=O)[C@H]2C[C@H](O)CN2C(=O)Nc2ccc(Cl)cc2)c1
Show InChI InChI=1S/C35H39ClFN5O4S/c1-34(2,3)47(46)41-35(16-15-22-7-8-22,24-6-4-5-23(17-24)20-38)25-9-14-29(37)30(18-25)40-32(44)31-19-28(43)21-42(31)33(45)39-27-12-10-26(36)11-13-27/h4-6,9-14,17-18,22,28,31,41,43H,7-8,15-16,19,21H2,1-3H3,(H,39,45)(H,40,44)/t28-,31+,35?,47+/m0/s1
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>100n/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 US10562850 (2020)


BindingDB Entry DOI: 10.7270/Q2FR001P
More data for this
Ligand-Target Pair
Coagulation factor X and plasma kallikrein


(Homo sapiens (Human))
BDBM433376
PNG
(US10562850, Compound 19c)
Show SMILES N[C@@H]1C[C@@H](N(C1)C(=O)Nc1ccc(Cl)cc1)C(=O)Nc1cc(ccc1F)C(N)(CCC1CC1)c1cccc(c1)C#N
Show InChI InChI=1S/C31H32ClFN6O2/c32-23-7-9-25(10-8-23)37-30(41)39-18-24(35)16-28(39)29(40)38-27-15-22(6-11-26(27)33)31(36,13-12-19-4-5-19)21-3-1-2-20(14-21)17-34/h1-3,6-11,14-15,19,24,28H,4-5,12-13,16,18,35-36H2,(H,37,41)(H,38,40)/t24-,28-,31?/m1/s1
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>100n/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 US10562850 (2020)


BindingDB Entry DOI: 10.7270/Q2FR001P
More data for this
Ligand-Target Pair
Coagulation factor X and plasma kallikrein


(Homo sapiens (Human))
BDBM433387
PNG
(US10562850, Compound 21d)
Show SMILES NC(CCC1CC1)(c1cccc(c1)C#N)c1ccc(F)c(NC(=O)[C@H]2C[C@@H](O)CN2C(=O)Nc2ccccc2)c1
Show InChI InChI=1S/C31H32FN5O3/c32-26-12-11-23(31(34,14-13-20-9-10-20)22-6-4-5-21(15-22)18-33)16-27(26)36-29(39)28-17-25(38)19-37(28)30(40)35-24-7-2-1-3-8-24/h1-8,11-12,15-16,20,25,28,38H,9-10,13-14,17,19,34H2,(H,35,40)(H,36,39)/t25-,28-,31?/m1/s1
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>100n/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 US10562850 (2020)


BindingDB Entry DOI: 10.7270/Q2FR001P
More data for this
Ligand-Target Pair
Coagulation factor X and plasma kallikrein


(Homo sapiens (Human))
BDBM433390
PNG
(US10562850, Compound 22b)
Show SMILES Cc1ccc(NC(=O)N2C[C@H](O)C[C@@H]2C(=O)Nc2cc(ccc2F)C(N)(CCC2CC2)c2cccc(c2)C#N)cc1
Show InChI InChI=1S/C32H34FN5O3/c1-20-5-10-25(11-6-20)36-31(41)38-19-26(39)17-29(38)30(40)37-28-16-24(9-12-27(28)33)32(35,14-13-21-7-8-21)23-4-2-3-22(15-23)18-34/h2-6,9-12,15-16,21,26,29,39H,7-8,13-14,17,19,35H2,1H3,(H,36,41)(H,37,40)/t26-,29-,32?/m1/s1
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>100n/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 US10562850 (2020)


BindingDB Entry DOI: 10.7270/Q2FR001P
More data for this
Ligand-Target Pair
Coagulation factor X and plasma kallikrein


(Homo sapiens (Human))
BDBM433430
PNG
(US10562850, Compound 11d)
Show SMILES CO[C@H]1C[C@H](N(C1)C(=O)Nc1ccc(Cl)cc1)C(=O)Nc1cc(ccc1F)C(CCC1CC1)(N[S@](=O)C(C)(C)C)c1cccc(c1)C#N
Show InChI InChI=1S/C36H41ClFN5O4S/c1-35(2,3)48(46)42-36(17-16-23-8-9-23,25-7-5-6-24(18-25)21-39)26-10-15-30(38)31(19-26)41-33(44)32-20-29(47-4)22-43(32)34(45)40-28-13-11-27(37)12-14-28/h5-7,10-15,18-19,23,29,32,42H,8-9,16-17,20,22H2,1-4H3,(H,40,45)(H,41,44)/t29-,32-,36?,48+/m0/s1
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>100n/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 US10562850 (2020)


BindingDB Entry DOI: 10.7270/Q2FR001P
More data for this
Ligand-Target Pair
Coagulation factor X and plasma kallikrein


(Homo sapiens (Human))
BDBM433447
PNG
(US10562850, Compound 34b)
Show SMILES CO[C@@]1(C[C@@H](N(C1)C(=O)OC(C)(C)C)C(=O)Nc1cc(ccc1F)C(CCC1CC1)(N[S@@](=O)C(C)(C)C)c1ccccn1)c1ccccc1
Show InChI InChI=1S/C38H49FN4O5S/c1-35(2,3)48-34(45)43-25-37(47-7,27-13-9-8-10-14-27)24-31(43)33(44)41-30-23-28(18-19-29(30)39)38(21-20-26-16-17-26,32-15-11-12-22-40-32)42-49(46)36(4,5)6/h8-15,18-19,22-23,26,31,42H,16-17,20-21,24-25H2,1-7H3,(H,41,44)/t31-,37-,38?,49+/m1/s1
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>100n/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 US10562850 (2020)


BindingDB Entry DOI: 10.7270/Q2FR001P
More data for this
Ligand-Target Pair
Coagulation factor X and plasma kallikrein


(Homo sapiens (Human))
BDBM433452
PNG
(US10562850, Compound 45c)
Show SMILES CO[C@@]1(C[C@@H](N(C1)C(=O)Nc1ccc(Cl)cn1)C(=O)Nc1cc(ccc1F)C(N)(CCC1CC1)c1ccncc1)c1ccccc1
Show InChI InChI=1S/C35H36ClFN6O3/c1-46-34(24-5-3-2-4-6-24)20-30(43(22-34)33(45)42-31-12-10-27(36)21-40-31)32(44)41-29-19-26(9-11-28(29)37)35(38,16-13-23-7-8-23)25-14-17-39-18-15-25/h2-6,9-12,14-15,17-19,21,23,30H,7-8,13,16,20,22,38H2,1H3,(H,41,44)(H,40,42,45)/t30-,34-,35?/m1/s1
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>100n/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 US10562850 (2020)


BindingDB Entry DOI: 10.7270/Q2FR001P
More data for this
Ligand-Target Pair
Coagulation factor X and plasma kallikrein


(Homo sapiens (Human))
BDBM433386
PNG
(US10562850, Compound 6e)
Show SMILES CO[C@@H]1C[C@@H](N(C1)C(=O)N(C)c1ccc(Cl)cc1)C(=O)Nc1cc(ccc1F)C(N)(CCC1CC1)c1cccc(c1)C#N
Show InChI InChI=1S/C33H35ClFN5O3/c1-39(26-11-9-25(34)10-12-26)32(42)40-20-27(43-2)18-30(40)31(41)38-29-17-24(8-13-28(29)35)33(37,15-14-21-6-7-21)23-5-3-4-22(16-23)19-36/h3-5,8-13,16-17,21,27,30H,6-7,14-15,18,20,37H2,1-2H3,(H,38,41)/t27-,30-,33?/m1/s1
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>100n/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 US10562850 (2020)


BindingDB Entry DOI: 10.7270/Q2FR001P
More data for this
Ligand-Target Pair
Coagulation factor X and plasma kallikrein


(Homo sapiens (Human))
BDBM433399
PNG
(US10562850, Compound 25b)
Show SMILES NC(CCC1CC1)(c1cccc(c1)C#N)c1ccc(F)c(NC(=O)[C@H]2C[C@@H](O)CN2C(=O)Nc2ccc(cc2)[N+]([O-])=O)c1
Show InChI InChI=1S/C31H31FN6O5/c32-26-11-6-22(31(34,13-12-19-4-5-19)21-3-1-2-20(14-21)17-33)15-27(26)36-29(40)28-16-25(39)18-37(28)30(41)35-23-7-9-24(10-8-23)38(42)43/h1-3,6-11,14-15,19,25,28,39H,4-5,12-13,16,18,34H2,(H,35,41)(H,36,40)/t25-,28-,31?/m1/s1
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>100n/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 US10562850 (2020)


BindingDB Entry DOI: 10.7270/Q2FR001P
More data for this
Ligand-Target Pair
Coagulation factor X and plasma kallikrein


(Homo sapiens (Human))
BDBM433400
PNG
(US10562850, Compound 32b)
Show SMILES O[C@@]1(C[C@@H](N(C1)C(=O)Nc1ccc(Cl)cn1)C(=O)Nc1cc(ccc1F)C(CCC1CC1)(NC(=O)Nc1ccc(Cl)cn1)c1ccccn1)c1ccccc1
Show InChI InChI=1S/C40H37Cl2FN8O4/c41-28-12-15-34(45-22-28)48-37(53)50-40(18-17-25-9-10-25,33-8-4-5-19-44-33)27-11-14-30(43)31(20-27)47-36(52)32-21-39(55,26-6-2-1-3-7-26)24-51(32)38(54)49-35-16-13-29(42)23-46-35/h1-8,11-16,19-20,22-23,25,32,55H,9-10,17-18,21,24H2,(H,47,52)(H,46,49,54)(H2,45,48,50,53)/t32-,39-,40?/m1/s1
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>100n/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 US10562850 (2020)


BindingDB Entry DOI: 10.7270/Q2FR001P
More data for this
Ligand-Target Pair
Coagulation factor X and plasma kallikrein


(Homo sapiens (Human))
BDBM433420
PNG
(US10562850, Compound 76e)
Show SMILES CO[C@@H]1C[C@@H](N(C1)C(=O)Cc1ccc(Cl)cc1)C(=O)Nc1cc(ccc1F)C(N)(CCC1CC1)c1ccncc1
Show InChI InChI=1S/C31H34ClFN4O3/c1-40-25-18-28(37(19-25)29(38)16-21-4-7-24(32)8-5-21)30(39)36-27-17-23(6-9-26(27)33)31(34,13-10-20-2-3-20)22-11-14-35-15-12-22/h4-9,11-12,14-15,17,20,25,28H,2-3,10,13,16,18-19,34H2,1H3,(H,36,39)/t25-,28-,31?/m1/s1
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>100n/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 US10562850 (2020)


BindingDB Entry DOI: 10.7270/Q2FR001P
More data for this
Ligand-Target Pair
Coagulation factor X and plasma kallikrein


(Homo sapiens (Human))
BDBM433433
PNG
(US10562850, Compound 12b)
Show SMILES CC(C)(C)[S@@](=O)NC(CCC1CC1)(c1cccc(c1)C#N)c1ccc(F)c(NC(=O)[C@H]2CCCN2C(=O)OCc2ccccc2)c1
Show InChI InChI=1S/C36H41FN4O4S/c1-35(2,3)46(44)40-36(19-18-25-14-15-25,28-12-7-11-27(21-28)23-38)29-16-17-30(37)31(22-29)39-33(42)32-13-8-20-41(32)34(43)45-24-26-9-5-4-6-10-26/h4-7,9-12,16-17,21-22,25,32,40H,8,13-15,18-20,24H2,1-3H3,(H,39,42)/t32-,36?,46-/m1/s1
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>100n/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 US10562850 (2020)


BindingDB Entry DOI: 10.7270/Q2FR001P
More data for this
Ligand-Target Pair
Coagulation factor X and plasma kallikrein


(Homo sapiens (Human))
BDBM433468
PNG
(US10562850, Compound 84a)
Show SMILES CO[C@@H]1C[C@@H](N(C1)C(=O)c1ccc(Cl)c(N)c1)C(=O)Nc1cc(ccc1F)C(N)(CCC1CC1)c1ccncc1
Show InChI InChI=1S/C30H33ClFN5O3/c1-40-22-16-27(37(17-22)29(39)19-4-6-23(31)25(33)14-19)28(38)36-26-15-21(5-7-24(26)32)30(34,11-8-18-2-3-18)20-9-12-35-13-10-20/h4-7,9-10,12-15,18,22,27H,2-3,8,11,16-17,33-34H2,1H3,(H,36,38)/t22-,27-,30?/m1/s1
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>100n/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 US10562850 (2020)


BindingDB Entry DOI: 10.7270/Q2FR001P
More data for this
Ligand-Target Pair
Coagulation factor X and plasma kallikrein


(Homo sapiens (Human))
BDBM433379
PNG
(US10562850, Compound 33d)
Show SMILES N[C@H]1C[C@@H](N(C1)C(=O)Nc1ccc(Cl)cc1)C(=O)Nc1cc(ccc1F)C(N)(CCC1CC1)c1cccc(c1)C#N
Show InChI InChI=1S/C31H32ClFN6O2/c32-23-7-9-25(10-8-23)37-30(41)39-18-24(35)16-28(39)29(40)38-27-15-22(6-11-26(27)33)31(36,13-12-19-4-5-19)21-3-1-2-20(14-21)17-34/h1-3,6-11,14-15,19,24,28H,4-5,12-13,16,18,35-36H2,(H,37,41)(H,38,40)/t24-,28+,31?/m0/s1
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>100n/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 US10562850 (2020)


BindingDB Entry DOI: 10.7270/Q2FR001P
More data for this
Ligand-Target Pair
Coagulation factor X and plasma kallikrein


(Homo sapiens (Human))
BDBM433384
PNG
(US10562850, Compound 20b)
Show SMILES NC(CCC1CC1)(c1cccc(c1)C#N)c1ccc(F)c(NC(=O)[C@H]2CC(=O)CN2C(=O)Nc2ccc(Cl)cc2)c1
Show InChI InChI=1S/C31H29ClFN5O3/c32-23-7-9-24(10-8-23)36-30(41)38-18-25(39)16-28(38)29(40)37-27-15-22(6-11-26(27)33)31(35,13-12-19-4-5-19)21-3-1-2-20(14-21)17-34/h1-3,6-11,14-15,19,28H,4-5,12-13,16,18,35H2,(H,36,41)(H,37,40)/t28-,31?/m1/s1
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>100n/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 US10562850 (2020)


BindingDB Entry DOI: 10.7270/Q2FR001P
More data for this
Ligand-Target Pair
Coagulation factor X and plasma kallikrein


(Homo sapiens (Human))
BDBM433404
PNG
(US10562850, Compound 13e)
Show SMILES NC(CCC1CC1)(c1cccc(c1)C#N)c1ccc(F)c(NC(=O)[C@H]2CCCN2C(=O)Nc2ccc(Cl)cn2)c1
Show InChI InChI=1S/C30H30ClFN6O2/c31-23-9-11-27(35-18-23)37-29(40)38-14-2-5-26(38)28(39)36-25-16-22(8-10-24(25)32)30(34,13-12-19-6-7-19)21-4-1-3-20(15-21)17-33/h1,3-4,8-11,15-16,18-19,26H,2,5-7,12-14,34H2,(H,36,39)(H,35,37,40)/t26-,30?/m1/s1
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>100n/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 US10562850 (2020)


BindingDB Entry DOI: 10.7270/Q2FR001P
More data for this
Ligand-Target Pair
Coagulation factor X and plasma kallikrein


(Homo sapiens (Human))
BDBM433409
PNG
(US10562850, Compound 66c)
Show SMILES CO[C@@H]1C[C@@H](N(C1)C(=O)Nc1ccc(Cl)cn1)C(=O)Nc1cc(ccc1F)C(CCC1CC1)(N[S@](=O)C(C)(C)C)c1ccccc1
Show InChI InChI=1S/C34H41ClFN5O4S/c1-33(2,3)46(44)40-34(17-16-22-10-11-22,23-8-6-5-7-9-23)24-12-14-27(36)28(18-24)38-31(42)29-19-26(45-4)21-41(29)32(43)39-30-15-13-25(35)20-37-30/h5-9,12-15,18,20,22,26,29,40H,10-11,16-17,19,21H2,1-4H3,(H,38,42)(H,37,39,43)/t26-,29-,34?,46-/m1/s1
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>100n/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 US10562850 (2020)


BindingDB Entry DOI: 10.7270/Q2FR001P
More data for this
Ligand-Target Pair
Coagulation factor X and plasma kallikrein


(Homo sapiens (Human))
BDBM433401
PNG
(US10562850, Compound 11e)
Show SMILES CO[C@H]1C[C@H](N(C1)C(=O)Nc1ccc(Cl)cc1)C(=O)Nc1cc(ccc1F)C(N)(CCC1CC1)c1cccc(c1)C#N
Show InChI InChI=1S/C32H33ClFN5O3/c1-42-26-17-29(39(19-26)31(41)37-25-10-8-24(33)9-11-25)30(40)38-28-16-23(7-12-27(28)34)32(36,14-13-20-5-6-20)22-4-2-3-21(15-22)18-35/h2-4,7-12,15-16,20,26,29H,5-6,13-14,17,19,36H2,1H3,(H,37,41)(H,38,40)/t26-,29-,32?/m0/s1
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>100n/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 US10562850 (2020)


BindingDB Entry DOI: 10.7270/Q2FR001P
More data for this
Ligand-Target Pair
Coagulation factor X and plasma kallikrein


(Homo sapiens (Human))
BDBM433402
PNG
(US10562850, Compound 26b)
Show SMILES NC(CCC1CC1)(c1cccc(c1)C#N)c1ccc(F)c(NC(=O)[C@H]2C[C@@H](O)CN2C(=O)Nc2cccc3ccccc23)c1
Show InChI InChI=1S/C35H34FN5O3/c36-29-14-13-26(35(38,16-15-22-11-12-22)25-8-3-5-23(17-25)20-37)18-31(29)39-33(43)32-19-27(42)21-41(32)34(44)40-30-10-4-7-24-6-1-2-9-28(24)30/h1-10,13-14,17-18,22,27,32,42H,11-12,15-16,19,21,38H2,(H,39,43)(H,40,44)/t27-,32-,35?/m1/s1
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>100n/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 US10562850 (2020)


BindingDB Entry DOI: 10.7270/Q2FR001P
More data for this
Ligand-Target Pair
Coagulation factor X and plasma kallikrein


(Homo sapiens (Human))
BDBM433414
PNG
(US10562850, Compound 14g)
Show SMILES CC(=O)O[C@@H]1C[C@@H](N(C1)C(=O)Nc1ccc(Cl)cn1)C(=O)Nc1cc(ccc1F)C(N)(CCC1CC1)c1cccc(c1)C#N
Show InChI InChI=1S/C32H32ClFN6O4/c1-19(41)44-25-15-28(40(18-25)31(43)39-29-10-8-24(33)17-37-29)30(42)38-27-14-23(7-9-26(27)34)32(36,12-11-20-5-6-20)22-4-2-3-21(13-22)16-35/h2-4,7-10,13-14,17,20,25,28H,5-6,11-12,15,18,36H2,1H3,(H,38,42)(H,37,39,43)/t25-,28-,32?/m1/s1
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>100n/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 US10562850 (2020)


BindingDB Entry DOI: 10.7270/Q2FR001P
More data for this
Ligand-Target Pair
Coagulation factor X and plasma kallikrein


(Homo sapiens (Human))
BDBM433446
PNG
(US10562850, Compound 44e)
Show SMILES CO[C@@H]1C[C@@H](N(C1)C(=O)Nc1ccc(Cl)cn1)C(=O)Nc1cc(ccc1F)C(CCC1CC1)N1CCCCC1=O
Show InChI InChI=1S/C29H35ClFN5O4/c1-40-21-15-25(36(17-21)29(39)34-26-12-9-20(30)16-32-26)28(38)33-23-14-19(8-10-22(23)31)24(11-7-18-5-6-18)35-13-3-2-4-27(35)37/h8-10,12,14,16,18,21,24-25H,2-7,11,13,15,17H2,1H3,(H,33,38)(H,32,34,39)/t21-,24?,25-/m1/s1
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>100n/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 US10562850 (2020)


BindingDB Entry DOI: 10.7270/Q2FR001P
More data for this
Ligand-Target Pair
Coagulation factor X and plasma kallikrein


(Homo sapiens (Human))
BDBM433465
PNG
(US10562850, Compound 83a)
Show SMILES CO[C@@H]1C[C@@H](N(C1)C(=O)c1ccc2c(Cl)c[nH]c2c1)C(=O)Nc1cc(ccc1F)C(N)(CCC1CC1)c1ccncc1
Show InChI InChI=1S/C32H33ClFN5O3/c1-42-23-16-29(39(18-23)31(41)20-4-6-24-25(33)17-37-27(24)14-20)30(40)38-28-15-22(5-7-26(28)34)32(35,11-8-19-2-3-19)21-9-12-36-13-10-21/h4-7,9-10,12-15,17,19,23,29,37H,2-3,8,11,16,18,35H2,1H3,(H,38,40)/t23-,29-,32?/m1/s1
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>100n/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 US10562850 (2020)


BindingDB Entry DOI: 10.7270/Q2FR001P
More data for this
Ligand-Target Pair
Coagulation factor X and plasma kallikrein


(Homo sapiens (Human))
BDBM433471
PNG
(US10562850, Compound 85a)
Show SMILES CO[C@@H]1C[C@@H](N(C1)C(=O)c1ccc(F)c(N)c1)C(=O)Nc1cc(ccc1F)C(N)(CCC1CC1)c1ccncc1
Show InChI InChI=1S/C30H33F2N5O3/c1-40-22-16-27(37(17-22)29(39)19-4-6-23(31)25(33)14-19)28(38)36-26-15-21(5-7-24(26)32)30(34,11-8-18-2-3-18)20-9-12-35-13-10-20/h4-7,9-10,12-15,18,22,27H,2-3,8,11,16-17,33-34H2,1H3,(H,36,38)/t22-,27-,30?/m1/s1
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>100n/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 US10562850 (2020)


BindingDB Entry DOI: 10.7270/Q2FR001P
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%