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Found 6298 hits Enz. Inhib. hit(s) with Target = 'Plasma kallikrein'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Plasma kallikrein


(Homo sapiens (Human))
BDBM455188
PNG
(US10730874, Compound I-206)
Show SMILES CC(C)(Cc1cc(cn2cc(Cn3cc(nn3)C(=O)NCc3ncn4ccc(Cl)c(F)c34)nc12)C1CC1)C(O)=O
Show InChI InChI=1S/C27H26ClFN8O3/c1-27(2,26(39)40)8-16-7-17(15-3-4-15)10-36-11-18(32-24(16)36)12-37-13-21(33-34-37)25(38)30-9-20-23-22(29)19(28)5-6-35(23)14-31-20/h5-7,10-11,13-15H,3-4,8-9,12H2,1-2H3,(H,30,38)(H,39,40)
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n/an/an/an/a<1n/an/an/an/a



Shire Human Genetic Therapies, Inc.

US Patent


Assay Description
Example compounds were evaluated for inhibition of the human activated kallikrein enzyme in two formats of an assay employing a fluorogenic peptide s...


US Patent US10730874 (2020)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM455189
PNG
(US10730874, Compound I-207 | US10730874, Compound ...)
Show SMILES CCOC(=O)COc1cc(cn2cc(Cn3cc(nn3)C(=O)NCc3ncn4ccc(Cl)c(F)c34)nc12)C1CC1
Show InChI InChI=1S/C26H24ClFN8O4/c1-2-39-22(37)13-40-21-7-16(15-3-4-15)9-35-10-17(31-25(21)35)11-36-12-20(32-33-36)26(38)29-8-19-24-23(28)18(27)5-6-34(24)14-30-19/h5-7,9-10,12,14-15H,2-4,8,11,13H2,1H3,(H,29,38)
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n/an/an/an/a<1n/an/an/an/a



Shire Human Genetic Therapies, Inc.

US Patent


Assay Description
Example compounds were evaluated for inhibition of the human activated kallikrein enzyme in two formats of an assay employing a fluorogenic peptide s...


US Patent US10730874 (2020)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM455189
PNG
(US10730874, Compound I-207 | US10730874, Compound ...)
Show SMILES CCOC(=O)COc1cc(cn2cc(Cn3cc(nn3)C(=O)NCc3ncn4ccc(Cl)c(F)c34)nc12)C1CC1
Show InChI InChI=1S/C26H24ClFN8O4/c1-2-39-22(37)13-40-21-7-16(15-3-4-15)9-35-10-17(31-25(21)35)11-36-12-20(32-33-36)26(38)29-8-19-24-23(28)18(27)5-6-34(24)14-30-19/h5-7,9-10,12,14-15H,2-4,8,11,13H2,1H3,(H,29,38)
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n/an/an/an/a<1n/an/an/an/a



Shire Human Genetic Therapies, Inc.

US Patent


Assay Description
Example compounds were evaluated for inhibition of the human activated kallikrein enzyme in two formats of an assay employing a fluorogenic peptide s...


US Patent US10730874 (2020)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM455263
PNG
(US10730874, Compound I-271)
Show SMILES OC(=O)c1nc(cn1Cc1cn2cc(ccc2n1)C1CC1)C(=O)NCc1ncn2ccc(Cl)c(F)c12
Show InChI InChI=1S/C24H19ClFN7O3/c25-16-5-6-31-12-28-17(21(31)20(16)26)7-27-23(34)18-11-33(22(30-18)24(35)36)10-15-9-32-8-14(13-1-2-13)3-4-19(32)29-15/h3-6,8-9,11-13H,1-2,7,10H2,(H,27,34)(H,35,36)
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n/an/an/an/a<1n/an/an/an/a



Shire Human Genetic Therapies, Inc.

US Patent


Assay Description
Example compounds were evaluated for inhibition of the human activated kallikrein enzyme in two formats of an assay employing a fluorogenic peptide s...


US Patent US10730874 (2020)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM455264
PNG
(US10730874, Compound I-272)
Show SMILES OCC1(COC1)C(O)c1cc(cn2cc(Cn3cc(nn3)C(=O)NCc3ncn4ccc(Cl)c(F)c34)nc12)C1CC1
Show InChI InChI=1S/C27H26ClFN8O4/c28-19-3-4-35-14-31-20(23(35)22(19)29)6-30-26(40)21-10-37(34-33-21)9-17-8-36-7-16(15-1-2-15)5-18(25(36)32-17)24(39)27(11-38)12-41-13-27/h3-5,7-8,10,14-15,24,38-39H,1-2,6,9,11-13H2,(H,30,40)
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n/an/an/an/a<1n/an/an/an/a



Shire Human Genetic Therapies, Inc.

US Patent


Assay Description
Example compounds were evaluated for inhibition of the human activated kallikrein enzyme in two formats of an assay employing a fluorogenic peptide s...


US Patent US10730874 (2020)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM455268
PNG
(US10730874, Compound I-276)
Show SMILES Fc1c(Cl)ccn2cnc(CNC(=O)c3ccn(Cc4cn5cc(ccc5n4)C4CC4)c3)c12
Show InChI InChI=1S/C24H20ClFN6O/c25-19-6-8-31-14-28-20(23(31)22(19)26)9-27-24(33)17-5-7-30(10-17)12-18-13-32-11-16(15-1-2-15)3-4-21(32)29-18/h3-8,10-11,13-15H,1-2,9,12H2,(H,27,33)
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n/an/an/an/a<1n/an/an/an/a



Shire Human Genetic Therapies, Inc.

US Patent


Assay Description
Example compounds were evaluated for inhibition of the human activated kallikrein enzyme in two formats of an assay employing a fluorogenic peptide s...


US Patent US10730874 (2020)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM455271
PNG
(US10730874, Compound I-279)
Show SMILES OC(C1COC1)c1cc(cn2cc(Cn3cc(nn3)C(=O)NCc3ncn4ccc(Cl)c(F)c34)nc12)C1CC1
Show InChI InChI=1S/C26H24ClFN8O3/c27-19-3-4-34-13-30-20(23(34)22(19)28)6-29-26(38)21-10-36(33-32-21)9-17-8-35-7-15(14-1-2-14)5-18(25(35)31-17)24(37)16-11-39-12-16/h3-5,7-8,10,13-14,16,24,37H,1-2,6,9,11-12H2,(H,29,38)
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n/an/an/an/a<1n/an/an/an/a



Shire Human Genetic Therapies, Inc.

US Patent


Assay Description
Example compounds were evaluated for inhibition of the human activated kallikrein enzyme in two formats of an assay employing a fluorogenic peptide s...


US Patent US10730874 (2020)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM455273
PNG
(US10730874, Compound I-281)
Show SMILES Fc1c(Cl)ccn2cnc(CNC(=O)c3cn(Cc4cn5cc(cc(CS(=O)(=O)NCC(F)(F)F)c5n4)C4CC4)nn3)c12
Show InChI InChI=1S/C25H22ClF4N9O3S/c26-18-3-4-37-13-32-19(22(37)21(18)27)6-31-24(40)20-10-39(36-35-20)9-17-8-38-7-15(14-1-2-14)5-16(23(38)34-17)11-43(41,42)33-12-25(28,29)30/h3-5,7-8,10,13-14,33H,1-2,6,9,11-12H2,(H,31,40)
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n/an/an/an/a<1n/an/an/an/a



Shire Human Genetic Therapies, Inc.

US Patent


Assay Description
Example compounds were evaluated for inhibition of the human activated kallikrein enzyme in two formats of an assay employing a fluorogenic peptide s...


US Patent US10730874 (2020)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM455275
PNG
(US10730874, Compound I-283)
Show SMILES Fc1c(Cl)ccn2cnc(CNC(=O)c3nnn(Cc4cn5cc(ccc5n4)C4CC4)n3)c12
Show InChI InChI=1S/C21H17ClFN9O/c22-15-5-6-30-11-25-16(19(30)18(15)23)7-24-21(33)20-27-29-32(28-20)10-14-9-31-8-13(12-1-2-12)3-4-17(31)26-14/h3-6,8-9,11-12H,1-2,7,10H2,(H,24,33)
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n/an/an/an/a<1n/an/an/an/a



Shire Human Genetic Therapies, Inc.

US Patent


Assay Description
Example compounds were evaluated for inhibition of the human activated kallikrein enzyme in two formats of an assay employing a fluorogenic peptide s...


US Patent US10730874 (2020)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM455280
PNG
(US10730874, Compound I-288)
Show SMILES Fc1c(Cl)ccn2cnc(CNC(=O)c3cn(Cc4cn5nc(ccc5n4)C4CC4)cn3)c12
Show InChI InChI=1S/C22H18ClFN8O/c23-15-5-6-31-12-27-17(21(31)20(15)24)7-25-22(33)18-10-30(11-26-18)8-14-9-32-19(28-14)4-3-16(29-32)13-1-2-13/h3-6,9-13H,1-2,7-8H2,(H,25,33)
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n/an/an/an/a<1n/an/an/an/a



Shire Human Genetic Therapies, Inc.

US Patent


Assay Description
Example compounds were evaluated for inhibition of the human activated kallikrein enzyme in two formats of an assay employing a fluorogenic peptide s...


US Patent US10730874 (2020)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM455281
PNG
(US10730874, Compound I-289)
Show SMILES Fc1c(Cl)ccn2cnc(CNC(=O)c3nnn(Cc4cn5nc(ccc5n4)C4CC4)n3)c12
Show InChI InChI=1S/C20H16ClFN10O/c21-13-5-6-30-10-24-15(18(30)17(13)22)7-23-20(33)19-26-29-32(28-19)9-12-8-31-16(25-12)4-3-14(27-31)11-1-2-11/h3-6,8,10-11H,1-2,7,9H2,(H,23,33)
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n/an/an/an/a<1n/an/an/an/a



Shire Human Genetic Therapies, Inc.

US Patent


Assay Description
Example compounds were evaluated for inhibition of the human activated kallikrein enzyme in two formats of an assay employing a fluorogenic peptide s...


US Patent US10730874 (2020)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM455287
PNG
(US10730874, Compound I-295)
Show SMILES Fc1c(Cl)ccn2cnc(CNC(=O)c3cn(Cc4cn5nc(cc(CN6CCCC6)c5n4)C4CC4)nn3)c12
Show InChI InChI=1S/C26H26ClFN10O/c27-19-5-8-36-15-30-21(24(36)23(19)28)10-29-26(39)22-14-37(34-32-22)12-18-13-38-25(31-18)17(11-35-6-1-2-7-35)9-20(33-38)16-3-4-16/h5,8-9,13-16H,1-4,6-7,10-12H2,(H,29,39)
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n/an/an/an/a<1n/an/an/an/a



Shire Human Genetic Therapies, Inc.

US Patent


Assay Description
Example compounds were evaluated for inhibition of the human activated kallikrein enzyme in two formats of an assay employing a fluorogenic peptide s...


US Patent US10730874 (2020)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM455290
PNG
(US10730874, Compound I-298)
Show SMILES Fc1c(Cl)ccn2cnc(CNC(=O)c3cn(Cc4cn5cc(cc(CCl)c5n4)C4CC4)nn3)c12
Show InChI InChI=1S/C23H19Cl2FN8O/c24-6-14-5-15(13-1-2-13)8-33-9-16(29-22(14)33)10-34-11-19(30-31-34)23(35)27-7-18-21-20(26)17(25)3-4-32(21)12-28-18/h3-5,8-9,11-13H,1-2,6-7,10H2,(H,27,35)
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n/an/an/an/a<1n/an/an/an/a



Shire Human Genetic Therapies, Inc.

US Patent


Assay Description
Example compounds were evaluated for inhibition of the human activated kallikrein enzyme in two formats of an assay employing a fluorogenic peptide s...


US Patent US10730874 (2020)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM455291
PNG
(US10730874, Compound I-299)
Show SMILES CN(C)CCOCc1cc(cn2cc(Cn3cc(nn3)C(=O)NCc3ncn4ccc(Cl)c(F)c34)nc12)C1CC1
Show InChI InChI=1S/C27H29ClFN9O2/c1-35(2)7-8-40-15-19-9-18(17-3-4-17)11-37-12-20(32-26(19)37)13-38-14-23(33-34-38)27(39)30-10-22-25-24(29)21(28)5-6-36(25)16-31-22/h5-6,9,11-12,14,16-17H,3-4,7-8,10,13,15H2,1-2H3,(H,30,39)
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n/an/an/an/a<1n/an/an/an/a



Shire Human Genetic Therapies, Inc.

US Patent


Assay Description
Example compounds were evaluated for inhibition of the human activated kallikrein enzyme in two formats of an assay employing a fluorogenic peptide s...


US Patent US10730874 (2020)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM455292
PNG
(US10730874, Compound I-300)
Show SMILES OC(CNCc1cc(cn2cc(Cn3cc(nn3)C(=O)NCc3ncn4ccc(Cl)c(F)c34)nc12)C1CC1)C(F)(F)F
Show InChI InChI=1S/C26H24ClF4N9O2/c27-18-3-4-38-13-34-19(23(38)22(18)28)7-33-25(42)20-12-40(37-36-20)11-17-10-39-9-16(14-1-2-14)5-15(24(39)35-17)6-32-8-21(41)26(29,30)31/h3-5,9-10,12-14,21,32,41H,1-2,6-8,11H2,(H,33,42)
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n/an/an/an/a<1n/an/an/an/a



Shire Human Genetic Therapies, Inc.

US Patent


Assay Description
Example compounds were evaluated for inhibition of the human activated kallikrein enzyme in two formats of an assay employing a fluorogenic peptide s...


US Patent US10730874 (2020)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM455293
PNG
(US10730874, Compound I-301)
Show SMILES OCCOCc1cc(cn2cc(Cn3cc(nn3)C(=O)NCc3ncn4ccc(Cl)c(F)c34)nc12)C1CC1
Show InChI InChI=1S/C25H24ClFN8O3/c26-19-3-4-33-14-29-20(23(33)22(19)27)8-28-25(37)21-12-35(32-31-21)11-18-10-34-9-16(15-1-2-15)7-17(24(34)30-18)13-38-6-5-36/h3-4,7,9-10,12,14-15,36H,1-2,5-6,8,11,13H2,(H,28,37)
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n/an/an/an/a<1n/an/an/an/a



Shire Human Genetic Therapies, Inc.

US Patent


Assay Description
Example compounds were evaluated for inhibition of the human activated kallikrein enzyme in two formats of an assay employing a fluorogenic peptide s...


US Patent US10730874 (2020)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM455294
PNG
(US10730874, Compound I-302)
Show SMILES NCCOCc1cc(cn2cc(Cn3cc(nn3)C(=O)NCc3ncn4ccc(Cl)c(F)c34)nc12)C1CC1
Show InChI InChI=1S/C25H25ClFN9O2/c26-19-3-5-34-14-30-20(23(34)22(19)27)8-29-25(37)21-12-36(33-32-21)11-18-10-35-9-16(15-1-2-15)7-17(24(35)31-18)13-38-6-4-28/h3,5,7,9-10,12,14-15H,1-2,4,6,8,11,13,28H2,(H,29,37)
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n/an/an/an/a<1n/an/an/an/a



Shire Human Genetic Therapies, Inc.

US Patent


Assay Description
Example compounds were evaluated for inhibition of the human activated kallikrein enzyme in two formats of an assay employing a fluorogenic peptide s...


US Patent US10730874 (2020)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM455295
PNG
(US10730874, Compound I-303)
Show SMILES Brc1ccn2cnc(CNC(=O)c3cn(Cc4cn5cc(ccc5n4)C4CC4)nn3)c2c1
Show InChI InChI=1S/C22H19BrN8O/c23-16-5-6-29-13-25-18(20(29)7-16)8-24-22(32)19-12-31(28-27-19)11-17-10-30-9-15(14-1-2-14)3-4-21(30)26-17/h3-7,9-10,12-14H,1-2,8,11H2,(H,24,32)
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Shire Human Genetic Therapies, Inc.

US Patent


Assay Description
Example compounds were evaluated for inhibition of the human activated kallikrein enzyme in two formats of an assay employing a fluorogenic peptide s...


US Patent US10730874 (2020)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM454849
PNG
(US10730874, Compound I-147 | US10730874, Compound ...)
Show SMILES Clc1ccn2cnc(CNC(=O)c3cnn(Cc4cn5cc(ccc5n4)C4CC4)c3)c2c1
Show InChI InChI=1S/C23H20ClN7O/c24-18-5-6-29-14-26-20(21(29)7-18)9-25-23(32)17-8-27-31(11-17)13-19-12-30-10-16(15-1-2-15)3-4-22(30)28-19/h3-8,10-12,14-15H,1-2,9,13H2,(H,25,32)
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n/an/an/an/a<1n/an/an/an/a



Shire Human Genetic Therapies, Inc.

US Patent


Assay Description
Example compounds were evaluated for inhibition of the human activated kallikrein enzyme in two formats of an assay employing a fluorogenic peptide s...


US Patent US10730874 (2020)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM454966
PNG
(US10730874, Compound I-118 | US10730874, Compound ...)
Show SMILES Brc1ccn2cnc(CNC(=O)c3cnn(Cc4cn5cc(ccc5n4)C4CC4)c3)c2c1
Show InChI InChI=1S/C23H20BrN7O/c24-18-5-6-29-14-26-20(21(29)7-18)9-25-23(32)17-8-27-31(11-17)13-19-12-30-10-16(15-1-2-15)3-4-22(30)28-19/h3-8,10-12,14-15H,1-2,9,13H2,(H,25,32)
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n/an/an/an/a<1n/an/an/an/a



Shire Human Genetic Therapies, Inc.

US Patent


Assay Description
Example compounds were evaluated for inhibition of the human activated kallikrein enzyme in two formats of an assay employing a fluorogenic peptide s...


US Patent US10730874 (2020)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM454984
PNG
(US10730874, Compound I-8)
Show SMILES CC(C)c1ccc2nc(Cn3cc(cn3)C(=O)NCc3ncn4ccc(Cl)cc34)cn2c1
Show InChI InChI=1S/C23H22ClN7O/c1-15(2)16-3-4-22-28-19(12-30(22)10-16)13-31-11-17(8-27-31)23(32)25-9-20-21-7-18(24)5-6-29(21)14-26-20/h3-8,10-12,14-15H,9,13H2,1-2H3,(H,25,32)
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Shire Human Genetic Therapies, Inc.

US Patent


Assay Description
Example compounds were evaluated for inhibition of the human activated kallikrein enzyme in two formats of an assay employing a fluorogenic peptide s...


US Patent US10730874 (2020)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM454986
PNG
(US10730874, Compound I-10)
Show SMILES CC1(CC1)c1ccc2nc(Cn3cc(cn3)C(=O)NCc3ncn4ccc(Cl)cc34)cn2c1
Show InChI InChI=1S/C24H22ClN7O/c1-24(5-6-24)17-2-3-22-29-19(13-31(22)12-17)14-32-11-16(9-28-32)23(33)26-10-20-21-8-18(25)4-7-30(21)15-27-20/h2-4,7-9,11-13,15H,5-6,10,14H2,1H3,(H,26,33)
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n/an/an/an/a<1n/an/an/an/a



Shire Human Genetic Therapies, Inc.

US Patent


Assay Description
Example compounds were evaluated for inhibition of the human activated kallikrein enzyme in two formats of an assay employing a fluorogenic peptide s...


US Patent US10730874 (2020)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM454989
PNG
(US10730874, Compound I-13)
Show SMILES Cc1c(ccc2nc(Cn3cc(cn3)C(=O)NCc3ncn4ccc(Cl)cc34)cn12)C1CC1
Show InChI InChI=1S/C24H22ClN7O/c1-15-20(16-2-3-16)4-5-23-29-19(13-32(15)23)12-31-11-17(9-28-31)24(33)26-10-21-22-8-18(25)6-7-30(22)14-27-21/h4-9,11,13-14,16H,2-3,10,12H2,1H3,(H,26,33)
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n/an/an/an/a<1n/an/an/an/a



Shire Human Genetic Therapies, Inc.

US Patent


Assay Description
Example compounds were evaluated for inhibition of the human activated kallikrein enzyme in two formats of an assay employing a fluorogenic peptide s...


US Patent US10730874 (2020)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM454990
PNG
(US10730874, Compound I-14)
Show SMILES Cc1c(ccc2nc(Cn3cc(cn3)C(=O)NCc3ncn4ccc(Br)cc34)cn12)C1CC1
Show InChI InChI=1S/C24H22BrN7O/c1-15-20(16-2-3-16)4-5-23-29-19(13-32(15)23)12-31-11-17(9-28-31)24(33)26-10-21-22-8-18(25)6-7-30(22)14-27-21/h4-9,11,13-14,16H,2-3,10,12H2,1H3,(H,26,33)
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n/an/an/an/a<1n/an/an/an/a



Shire Human Genetic Therapies, Inc.

US Patent


Assay Description
Example compounds were evaluated for inhibition of the human activated kallikrein enzyme in two formats of an assay employing a fluorogenic peptide s...


US Patent US10730874 (2020)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM454991
PNG
(US10730874, Compound I-15)
Show SMILES Clc1ccn2cnc(CNC(=O)c3cnn(Cc4cn5nc(ccc5n4)C4CC4)c3)c2c1
Show InChI InChI=1S/C22H19ClN8O/c23-16-5-6-29-13-25-19(20(29)7-16)9-24-22(32)15-8-26-30(10-15)11-17-12-31-21(27-17)4-3-18(28-31)14-1-2-14/h3-8,10,12-14H,1-2,9,11H2,(H,24,32)
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n/an/an/an/a<1n/an/an/an/a



Shire Human Genetic Therapies, Inc.

US Patent


Assay Description
Example compounds were evaluated for inhibition of the human activated kallikrein enzyme in two formats of an assay employing a fluorogenic peptide s...


US Patent US10730874 (2020)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM455192
PNG
(US10730874, Compound I-210a)
Show SMILES OC(=O)c1nnc(Cc2cc(cn3cc(Cn4cc(nn4)C(=O)NCc4cn5c(F)c(Cl)ccc5n4)nc23)C2CC2)o1
Show InChI InChI=1S/C26H20ClFN10O4/c27-18-3-4-20-30-16(11-38(20)22(18)28)7-29-24(39)19-12-37(35-32-19)10-17-9-36-8-15(13-1-2-13)5-14(23(36)31-17)6-21-33-34-25(42-21)26(40)41/h3-5,8-9,11-13H,1-2,6-7,10H2,(H,29,39)(H,40,41)
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Shire Human Genetic Therapies, Inc.

US Patent


Assay Description
Example compounds were evaluated for inhibition of the human activated kallikrein enzyme in two formats of an assay employing a fluorogenic peptide s...


US Patent US10730874 (2020)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM455193
PNG
(US10730874, Compound I-210b)
Show SMILES Fc1c(Cl)ccc2nc(CNC(=O)c3cn(Cc4cn5cc(cc(Cc6nnco6)c5n4)C4CC4)nn3)cn12
Show InChI InChI=1S/C25H20ClFN10O2/c26-19-3-4-21-30-17(11-37(21)23(19)27)7-28-25(38)20-12-36(34-32-20)10-18-9-35-8-16(14-1-2-14)5-15(24(35)31-18)6-22-33-29-13-39-22/h3-5,8-9,11-14H,1-2,6-7,10H2,(H,28,38)
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n/an/an/an/a<1n/an/an/an/a



Shire Human Genetic Therapies, Inc.

US Patent


Assay Description
Example compounds were evaluated for inhibition of the human activated kallikrein enzyme in two formats of an assay employing a fluorogenic peptide s...


US Patent US10730874 (2020)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM455195
PNG
(US10730874, Compound I-212)
Show SMILES CC(C)(Oc1cc(cn2cc(Cn3cc(nn3)C(=O)NCc3ncn4ccc(Cl)c(F)c34)nc12)C1CC1)C(O)=O
Show InChI InChI=1S/C26H24ClFN8O4/c1-26(2,25(38)39)40-20-7-15(14-3-4-14)9-35-10-16(31-23(20)35)11-36-12-19(32-33-36)24(37)29-8-18-22-21(28)17(27)5-6-34(22)13-30-18/h5-7,9-10,12-14H,3-4,8,11H2,1-2H3,(H,29,37)(H,38,39)
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n/an/an/an/a<1n/an/an/an/a



Shire Human Genetic Therapies, Inc.

US Patent


Assay Description
Example compounds were evaluated for inhibition of the human activated kallikrein enzyme in two formats of an assay employing a fluorogenic peptide s...


US Patent US10730874 (2020)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM455196
PNG
(US10730874, Compound I-213)
Show SMILES CC(F)c1cc(cn2cc(Cn3cc(nn3)C(=O)NCc3ncn4ccc(Cl)c(F)c34)nc12)C1CC1
Show InChI InChI=1S/C24H21ClF2N8O/c1-13(26)17-6-15(14-2-3-14)8-34-9-16(30-23(17)34)10-35-11-20(31-32-35)24(36)28-7-19-22-21(27)18(25)4-5-33(22)12-29-19/h4-6,8-9,11-14H,2-3,7,10H2,1H3,(H,28,36)
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Shire Human Genetic Therapies, Inc.

US Patent


Assay Description
Example compounds were evaluated for inhibition of the human activated kallikrein enzyme in two formats of an assay employing a fluorogenic peptide s...


US Patent US10730874 (2020)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM455197
PNG
(US10730874, Compound I-214)
Show SMILES Fc1c(Cl)ccn2cnc(CNC(=O)c3cnn(Cc4cn5cc(cc(Cc6nnco6)c5n4)C4CC4)c3)c12
Show InChI InChI=1S/C26H21ClFN9O2/c27-20-3-4-35-13-30-21(24(35)23(20)28)8-29-26(38)18-7-32-37(10-18)12-19-11-36-9-17(15-1-2-15)5-16(25(36)33-19)6-22-34-31-14-39-22/h3-5,7,9-11,13-15H,1-2,6,8,12H2,(H,29,38)
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Shire Human Genetic Therapies, Inc.

US Patent


Assay Description
Example compounds were evaluated for inhibition of the human activated kallikrein enzyme in two formats of an assay employing a fluorogenic peptide s...


US Patent US10730874 (2020)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM455198
PNG
(US10730874, Compound I-215)
Show SMILES Fc1c(Cl)ccn2cnc(CNC(=O)c3cnn(Cc4cn5cc(cc(C6COC6)c5n4)C4CC4)c3)c12
Show InChI InChI=1S/C26H23ClFN7O2/c27-21-3-4-33-14-30-22(24(33)23(21)28)7-29-26(36)17-6-31-35(9-17)11-19-10-34-8-16(15-1-2-15)5-20(25(34)32-19)18-12-37-13-18/h3-6,8-10,14-15,18H,1-2,7,11-13H2,(H,29,36)
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Shire Human Genetic Therapies, Inc.

US Patent


Assay Description
Example compounds were evaluated for inhibition of the human activated kallikrein enzyme in two formats of an assay employing a fluorogenic peptide s...


US Patent US10730874 (2020)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM455199
PNG
(US10730874, Compound I-216)
Show SMILES Fc1c(Cl)ccn2cnc(CNC(=O)c3cn(Cc4cn5cc(cc(N6CCOC6=O)c5n4)C4CC4)nn3)c12
Show InChI InChI=1S/C25H21ClFN9O3/c26-17-3-4-33-13-29-18(22(33)21(17)27)8-28-24(37)19-12-35(32-31-19)11-16-10-34-9-15(14-1-2-14)7-20(23(34)30-16)36-5-6-39-25(36)38/h3-4,7,9-10,12-14H,1-2,5-6,8,11H2,(H,28,37)
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Shire Human Genetic Therapies, Inc.

US Patent


Assay Description
Example compounds were evaluated for inhibition of the human activated kallikrein enzyme in two formats of an assay employing a fluorogenic peptide s...


US Patent US10730874 (2020)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM455203
PNG
(US10730874, Compound I-220)
Show SMILES Fc1c(Cl)ccn2cnc(CNC(=O)c3cn(Cc4cn5cc(cc(-n6cccn6)c5n4)C4CC4)nn3)c12
Show InChI InChI=1S/C25H20ClFN10O/c26-18-4-7-34-14-29-19(23(34)22(18)27)9-28-25(38)20-13-36(33-32-20)12-17-11-35-10-16(15-2-3-15)8-21(24(35)31-17)37-6-1-5-30-37/h1,4-8,10-11,13-15H,2-3,9,12H2,(H,28,38)
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Shire Human Genetic Therapies, Inc.

US Patent


Assay Description
Example compounds were evaluated for inhibition of the human activated kallikrein enzyme in two formats of an assay employing a fluorogenic peptide s...


US Patent US10730874 (2020)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM455204
PNG
(US10730874, Compound I-221a | US10730874, Compound...)
Show SMILES CCOc1c(Cl)ccn2cnc(CNC(=O)c3cn(Cc4cn5cc(cc(CC6(CCCC6)C(O)=O)c5n4)C4CC4)nn3)c12
Show InChI InChI=1S/C31H33ClN8O4/c1-2-44-27-23(32)7-10-38-18-34-24(26(27)38)13-33-29(41)25-17-40(37-36-25)16-22-15-39-14-21(19-5-6-19)11-20(28(39)35-22)12-31(30(42)43)8-3-4-9-31/h7,10-11,14-15,17-19H,2-6,8-9,12-13,16H2,1H3,(H,33,41)(H,42,43)
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Shire Human Genetic Therapies, Inc.

US Patent


Assay Description
Example compounds were evaluated for inhibition of the human activated kallikrein enzyme in two formats of an assay employing a fluorogenic peptide s...


US Patent US10730874 (2020)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM455204
PNG
(US10730874, Compound I-221a | US10730874, Compound...)
Show SMILES CCOc1c(Cl)ccn2cnc(CNC(=O)c3cn(Cc4cn5cc(cc(CC6(CCCC6)C(O)=O)c5n4)C4CC4)nn3)c12
Show InChI InChI=1S/C31H33ClN8O4/c1-2-44-27-23(32)7-10-38-18-34-24(26(27)38)13-33-29(41)25-17-40(37-36-25)16-22-15-39-14-21(19-5-6-19)11-20(28(39)35-22)12-31(30(42)43)8-3-4-9-31/h7,10-11,14-15,17-19H,2-6,8-9,12-13,16H2,1H3,(H,33,41)(H,42,43)
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Shire Human Genetic Therapies, Inc.

US Patent


Assay Description
Example compounds were evaluated for inhibition of the human activated kallikrein enzyme in two formats of an assay employing a fluorogenic peptide s...


US Patent US10730874 (2020)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM455208
PNG
(US10730874, Compound I-223)
Show SMILES CCOC(=O)C(C)(C)Oc1cc(cn2cc(Cn3cc(nn3)C(=O)NCc3ncn4ccc(Cl)c(F)c34)nc12)C1CC1
Show InChI InChI=1S/C28H28ClFN8O4/c1-4-41-27(40)28(2,3)42-22-9-17(16-5-6-16)11-37-12-18(33-25(22)37)13-38-14-21(34-35-38)26(39)31-10-20-24-23(30)19(29)7-8-36(24)15-32-20/h7-9,11-12,14-16H,4-6,10,13H2,1-3H3,(H,31,39)
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Shire Human Genetic Therapies, Inc.

US Patent


Assay Description
Example compounds were evaluated for inhibition of the human activated kallikrein enzyme in two formats of an assay employing a fluorogenic peptide s...


US Patent US10730874 (2020)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM455209
PNG
(US10730874, Compound I-224a | US10730874, Compound...)
Show SMILES COC(=O)C(F)(Cc1cc(cn2cc(Cn3cc(nn3)C(=O)OC(C)(C)C)nc12)C1CC1)C(=O)OC
Show InChI InChI=1S/C24H28FN5O6/c1-23(2,3)36-20(31)18-13-30(28-27-18)12-17-11-29-10-16(14-6-7-14)8-15(19(29)26-17)9-24(25,21(32)34-4)22(33)35-5/h8,10-11,13-14H,6-7,9,12H2,1-5H3
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Shire Human Genetic Therapies, Inc.

US Patent


Assay Description
Example compounds were evaluated for inhibition of the human activated kallikrein enzyme in two formats of an assay employing a fluorogenic peptide s...


US Patent US10730874 (2020)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM455209
PNG
(US10730874, Compound I-224a | US10730874, Compound...)
Show SMILES COC(=O)C(F)(Cc1cc(cn2cc(Cn3cc(nn3)C(=O)OC(C)(C)C)nc12)C1CC1)C(=O)OC
Show InChI InChI=1S/C24H28FN5O6/c1-23(2,3)36-20(31)18-13-30(28-27-18)12-17-11-29-10-16(14-6-7-14)8-15(19(29)26-17)9-24(25,21(32)34-4)22(33)35-5/h8,10-11,13-14H,6-7,9,12H2,1-5H3
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Shire Human Genetic Therapies, Inc.

US Patent


Assay Description
Example compounds were evaluated for inhibition of the human activated kallikrein enzyme in two formats of an assay employing a fluorogenic peptide s...


US Patent US10730874 (2020)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM455211
PNG
(US10730874, Compound I-225)
Show SMILES Fc1c(Cl)ccn2cnc(CNC(=O)c3cn(Cc4cn5cc(cc(-c6cnoc6)c5n4)C4CC4)nn3)c12
Show InChI InChI=1S/C25H19ClFN9O2/c26-19-3-4-34-13-29-20(23(34)22(19)27)7-28-25(37)21-11-36(33-32-21)10-17-9-35-8-15(14-1-2-14)5-18(24(35)31-17)16-6-30-38-12-16/h3-6,8-9,11-14H,1-2,7,10H2,(H,28,37)
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Shire Human Genetic Therapies, Inc.

US Patent


Assay Description
Example compounds were evaluated for inhibition of the human activated kallikrein enzyme in two formats of an assay employing a fluorogenic peptide s...


US Patent US10730874 (2020)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM455212
PNG
(US10730874, Compound I-226)
Show SMILES OC(=O)c1cn(cn1)-c1cc(cn2cc(Cn3cc(nn3)C(=O)NCc3ncn4ccc(Cl)c(F)c34)nc12)C1CC1
Show InChI InChI=1S/C26H20ClFN10O3/c27-17-3-4-35-12-30-18(23(35)22(17)28)6-29-25(39)19-11-38(34-33-19)9-16-8-36-7-15(14-1-2-14)5-21(24(36)32-16)37-10-20(26(40)41)31-13-37/h3-5,7-8,10-14H,1-2,6,9H2,(H,29,39)(H,40,41)
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Shire Human Genetic Therapies, Inc.

US Patent


Assay Description
Example compounds were evaluated for inhibition of the human activated kallikrein enzyme in two formats of an assay employing a fluorogenic peptide s...


US Patent US10730874 (2020)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM455215
PNG
(US10730874, Compound I-228)
Show SMILES Fc1c(Cl)ccn2cnc(CNC(=O)c3cn(Cc4cn5cc(cc(C#C)c5n4)C4CC4)nn3)c12
Show InChI InChI=1S/C24H18ClFN8O/c1-2-14-7-16(15-3-4-15)9-33-10-17(29-23(14)33)11-34-12-20(30-31-34)24(35)27-8-19-22-21(26)18(25)5-6-32(22)13-28-19/h1,5-7,9-10,12-13,15H,3-4,8,11H2,(H,27,35)
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Shire Human Genetic Therapies, Inc.

US Patent


Assay Description
Example compounds were evaluated for inhibition of the human activated kallikrein enzyme in two formats of an assay employing a fluorogenic peptide s...


US Patent US10730874 (2020)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM455217
PNG
(US10730874, Compound I-230)
Show SMILES OC(=O)c1cnn(c1)-c1cc(cn2cc(Cn3cc(nn3)C(=O)NCc3ncn4ccc(Cl)c(F)c34)nc12)C1CC1
Show InChI InChI=1S/C26H20ClFN10O3/c27-18-3-4-35-13-30-19(23(35)22(18)28)7-29-25(39)20-12-37(34-33-20)11-17-10-36-8-15(14-1-2-14)5-21(24(36)32-17)38-9-16(6-31-38)26(40)41/h3-6,8-10,12-14H,1-2,7,11H2,(H,29,39)(H,40,41)
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n/an/an/an/a<1n/an/an/an/a



Shire Human Genetic Therapies, Inc.

US Patent


Assay Description
Example compounds were evaluated for inhibition of the human activated kallikrein enzyme in two formats of an assay employing a fluorogenic peptide s...


US Patent US10730874 (2020)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM455218
PNG
(US10730874, Compound I-231)
Show SMILES Fc1c(Cl)ccn2cnc(CNC(=O)c3cn(Cc4cc5cc(cc(n5n4)C(F)(F)F)C4CC4)nn3)c12
Show InChI InChI=1S/C23H17ClF4N8O/c24-16-3-4-34-11-30-17(21(34)20(16)25)8-29-22(37)18-10-35(33-31-18)9-14-7-15-5-13(12-1-2-12)6-19(23(26,27)28)36(15)32-14/h3-7,10-12H,1-2,8-9H2,(H,29,37)
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n/an/an/an/a<1n/an/an/an/a



Shire Human Genetic Therapies, Inc.

US Patent


Assay Description
Example compounds were evaluated for inhibition of the human activated kallikrein enzyme in two formats of an assay employing a fluorogenic peptide s...


US Patent US10730874 (2020)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM455224
PNG
(US10730874, Compound I-237)
Show SMILES CC(C)(Cc1cc(cn2cc(Cn3cc(cn3)C(=O)NCc3ncn4ccc(Cl)c(F)c34)nc12)C1CC1)C(O)=O
Show InChI InChI=1S/C28H27ClFN7O3/c1-28(2,27(39)40)8-17-7-18(16-3-4-16)11-36-13-20(34-25(17)36)14-37-12-19(9-33-37)26(38)31-10-22-24-23(30)21(29)5-6-35(24)15-32-22/h5-7,9,11-13,15-16H,3-4,8,10,14H2,1-2H3,(H,31,38)(H,39,40)
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n/an/an/an/a<1n/an/an/an/a



Shire Human Genetic Therapies, Inc.

US Patent


Assay Description
Example compounds were evaluated for inhibition of the human activated kallikrein enzyme in two formats of an assay employing a fluorogenic peptide s...


US Patent US10730874 (2020)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM455225
PNG
(US10730874, Compound I-238)
Show SMILES CC(C)(Cc1cc(cn2cc(Cn3cc(cn3)C(=O)NCc3ncn4ccc(Cl)c(F)c34)nc12)C1CC1)c1nn[nH]n1
Show InChI InChI=1S/C28H27ClFN11O/c1-28(2,27-35-37-38-36-27)8-17-7-18(16-3-4-16)11-40-13-20(34-25(17)40)14-41-12-19(9-33-41)26(42)31-10-22-24-23(30)21(29)5-6-39(24)15-32-22/h5-7,9,11-13,15-16H,3-4,8,10,14H2,1-2H3,(H,31,42)(H,35,36,37,38)
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n/an/an/an/a<1n/an/an/an/a



Shire Human Genetic Therapies, Inc.

US Patent


Assay Description
Example compounds were evaluated for inhibition of the human activated kallikrein enzyme in two formats of an assay employing a fluorogenic peptide s...


US Patent US10730874 (2020)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM455227
PNG
(US10730874, Compound I-240)
Show SMILES Fc1c(Cn2cc(nn2)C(=O)NCc2ncn3ccc(Cl)c(F)c23)nc2ccc(cn12)C1CC1
Show InChI InChI=1S/C22H17ClF2N8O/c23-14-5-6-31-11-27-15(20(31)19(14)24)7-26-22(34)17-10-32(30-29-17)9-16-21(25)33-8-13(12-1-2-12)3-4-18(33)28-16/h3-6,8,10-12H,1-2,7,9H2,(H,26,34)
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n/an/an/an/a<1n/an/an/an/a



Shire Human Genetic Therapies, Inc.

US Patent


Assay Description
Example compounds were evaluated for inhibition of the human activated kallikrein enzyme in two formats of an assay employing a fluorogenic peptide s...


US Patent US10730874 (2020)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM455228
PNG
(US10730874, Compound I-241a)
Show SMILES CCOC(=O)C(C)(C)C(O)c1cc(cn2cc(Cn3cc(nn3)C(=O)NCc3ncn4ccc(Cl)c(F)c34)nc12)C1CC1
Show InChI InChI=1S/C29H30ClFN8O4/c1-4-43-28(42)29(2,3)25(40)19-9-17(16-5-6-16)11-38-12-18(34-26(19)38)13-39-14-22(35-36-39)27(41)32-10-21-24-23(31)20(30)7-8-37(24)15-33-21/h7-9,11-12,14-16,25,40H,4-6,10,13H2,1-3H3,(H,32,41)
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Shire Human Genetic Therapies, Inc.

US Patent


Assay Description
Example compounds were evaluated for inhibition of the human activated kallikrein enzyme in two formats of an assay employing a fluorogenic peptide s...


US Patent US10730874 (2020)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM455229
PNG
(US10730874, Compound I-241b)
Show SMILES CC(C)(C(O)c1cc(cn2cc(Cn3cc(nn3)C(=O)NCc3ncn4ccc(Cl)c(F)c34)nc12)C1CC1)C(O)=O
Show InChI InChI=1S/C27H26ClFN8O4/c1-27(2,26(40)41)23(38)17-7-15(14-3-4-14)9-36-10-16(32-24(17)36)11-37-12-20(33-34-37)25(39)30-8-19-22-21(29)18(28)5-6-35(22)13-31-19/h5-7,9-10,12-14,23,38H,3-4,8,11H2,1-2H3,(H,30,39)(H,40,41)
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n/an/an/an/a<1n/an/an/an/a



Shire Human Genetic Therapies, Inc.

US Patent


Assay Description
Example compounds were evaluated for inhibition of the human activated kallikrein enzyme in two formats of an assay employing a fluorogenic peptide s...


US Patent US10730874 (2020)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM455230
PNG
(US10730874, Compound I-242)
Show SMILES CCn1ncn(-c2cc(cn3cc(Cn4cc(nn4)C(=O)NCc4ncn5ccc(Cl)c(F)c45)nc23)C2CC2)c(=O)c1=O
Show InChI InChI=1S/C27H23ClFN11O3/c1-2-40-27(43)26(42)39(14-32-40)21-7-16(15-3-4-15)9-37-10-17(33-24(21)37)11-38-12-20(34-35-38)25(41)30-8-19-23-22(29)18(28)5-6-36(23)13-31-19/h5-7,9-10,12-15H,2-4,8,11H2,1H3,(H,30,41)
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n/an/an/an/a<1n/an/an/an/a



Shire Human Genetic Therapies, Inc.

US Patent


Assay Description
Example compounds were evaluated for inhibition of the human activated kallikrein enzyme in two formats of an assay employing a fluorogenic peptide s...


US Patent US10730874 (2020)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM455233
PNG
(US10730874, Compound I-245a)
Show SMILES CCOC(=O)C(C)Cc1cc(cn2cc(Cn3cc(nn3)C(=O)NCc3ncn4ccc(Cl)c(F)c34)nc12)C1CC1
Show InChI InChI=1S/C28H28ClFN8O3/c1-3-41-28(40)16(2)8-18-9-19(17-4-5-17)11-37-12-20(33-26(18)37)13-38-14-23(34-35-38)27(39)31-10-22-25-24(30)21(29)6-7-36(25)15-32-22/h6-7,9,11-12,14-17H,3-5,8,10,13H2,1-2H3,(H,31,39)
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Shire Human Genetic Therapies, Inc.

US Patent


Assay Description
Example compounds were evaluated for inhibition of the human activated kallikrein enzyme in two formats of an assay employing a fluorogenic peptide s...


US Patent US10730874 (2020)

More data for this
Ligand-Target Pair
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