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Compile Data Set for Download or QSAR

Found 328 hits Enz. Inhib. hit(s) with all data for entry = 9280   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Plasma kallikrein


(Homo sapiens (Human))		BDBM455188
PNG
(US10730874, Compound I-206 | US11352356, Compound ...)
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)


BindingDB Entry DOI: 10.7270/Q2RN3BXC
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))		BDBM455189
PNG
(US10730874, Compound I-207 | US11352356, 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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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)


BindingDB Entry DOI: 10.7270/Q2RN3BXC
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))		BDBM455190
PNG
(US10730874, Compound I-208 | US11352356, Compound ...)
Show SMILES OC(=O)COc1cc(cn2cc(Cn3cc(nn3)C(=O)NCc3ncn4ccc(Cl)c(F)c34)nc12)C1CC1
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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)


BindingDB Entry DOI: 10.7270/Q2RN3BXC
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))		BDBM455191
PNG
(US10730874, Compound I-209 | US11352356, Compound ...)
Show SMILES Fc1c(Cl)ccn2cnc(CNC(=O)c3cn(Cc4cc5ncc(cn5n4)C4CC4)nn3)c12
Show InChI InChI=1S/C21H17ClFN9O/c22-15-3-4-30-11-26-16(20(30)19(15)23)7-25-21(33)17-10-31(29-27-17)9-14-5-18-24-6-13(12-1-2-12)8-32(18)28-14/h3-6,8,10-12H,1-2,7,9H2,(H,25,33)
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n/an/an/an/a 5.5n/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)


BindingDB Entry DOI: 10.7270/Q2RN3BXC
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)


BindingDB Entry DOI: 10.7270/Q2RN3BXC
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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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)


BindingDB Entry DOI: 10.7270/Q2RN3BXC
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))		BDBM455194
PNG
(US10730874, Compound I-211 | US11352356, Compound ...)
Show SMILES Fc1c(Cl)ccn2cnc(CNC(=O)c3cn(Cc4[nH]c5ccc(cc5c4C(F)(F)F)C4CC4)nn3)c12
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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)


BindingDB Entry DOI: 10.7270/Q2RN3BXC
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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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)


BindingDB Entry DOI: 10.7270/Q2RN3BXC
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))		BDBM455196
PNG
(US10730874, Compound I-213 | US11352356, Compound ...)
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)


BindingDB Entry DOI: 10.7270/Q2RN3BXC
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))		BDBM455197
PNG
(US10730874, Compound I-214 | US11352356, Compound ...)
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)


BindingDB Entry DOI: 10.7270/Q2RN3BXC
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))		BDBM455198
PNG
(US10730874, Compound I-215 | US11352356, Compound ...)
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)


BindingDB Entry DOI: 10.7270/Q2RN3BXC
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))		BDBM455199
PNG
(US10730874, Compound I-216 | US11352356, Compound ...)
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)


BindingDB Entry DOI: 10.7270/Q2RN3BXC
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))		BDBM455200
PNG
(US10730874, Compound I-217 | US11352356, Compound ...)
Show SMILES Fc1c(Cl)ccn2cnc(CNC(=O)c3cn(Cc4cn5ccc(cc5n4)C4CC4)nn3)c12
Show InChI InChI=1S/C22H18ClFN8O/c23-16-4-6-31-12-26-17(21(31)20(16)24)8-25-22(33)18-11-32(29-28-18)10-15-9-30-5-3-14(13-1-2-13)7-19(30)27-15/h3-7,9,11-13H,1-2,8,10H2,(H,25,33)
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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)


BindingDB Entry DOI: 10.7270/Q2RN3BXC
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))		BDBM455201
PNG
(US10730874, Compound I-218 | US11352356, Compound ...)
Show SMILES Fc1c(Cl)ccn2cnc(CNC(=O)c3cn(Cc4cc5cc(ccc5s4)C4CC4)nn3)c12
Show InChI InChI=1S/C23H18ClFN6OS/c24-17-5-6-30-12-27-18(22(30)21(17)25)9-26-23(32)19-11-31(29-28-19)10-16-8-15-7-14(13-1-2-13)3-4-20(15)33-16/h3-8,11-13H,1-2,9-10H2,(H,26,32)
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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)


BindingDB Entry DOI: 10.7270/Q2RN3BXC
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))		BDBM455202
PNG
(US10730874, Compound I-219 | US11352356, Compound ...)
Show SMILES Fc1c(Cl)ccn2cnc(CNC(=O)c3cn(Cc4cc5ccc(cc5o4)C4CC4)nn3)c12
Show InChI InChI=1S/C23H18ClFN6O2/c24-17-5-6-30-12-27-18(22(30)21(17)25)9-26-23(32)19-11-31(29-28-19)10-16-7-15-4-3-14(13-1-2-13)8-20(15)33-16/h3-8,11-13H,1-2,9-10H2,(H,26,32)
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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)


BindingDB Entry DOI: 10.7270/Q2RN3BXC
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))		BDBM455203
PNG
(US10730874, Compound I-220 | US11352356, Compound ...)
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)


BindingDB Entry DOI: 10.7270/Q2RN3BXC
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)


BindingDB Entry DOI: 10.7270/Q2RN3BXC
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)


BindingDB Entry DOI: 10.7270/Q2RN3BXC
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)


BindingDB Entry DOI: 10.7270/Q2RN3BXC
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))		BDBM455207
PNG
(US10730874, Compound I-222)
Show SMILES Fc1c(Cl)ccn2cnc(CNC(=O)c3cn(CC4=CC5C=CC(Cl)=CC5N4)nn3)c12 |c:21,24,t:18|
Show InChI InChI=1S/C20H16Cl2FN7O/c21-12-2-1-11-5-13(26-15(11)6-12)8-30-9-17(27-28-30)20(31)24-7-16-19-18(23)14(22)3-4-29(19)10-25-16/h1-6,9-11,15,26H,7-8H2,(H,24,31)
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n/an/an/an/a 1.05E+3n/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)


BindingDB Entry DOI: 10.7270/Q2RN3BXC
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))		BDBM455208
PNG
(US10730874, Compound I-223 | US11352356, Compound ...)
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)


BindingDB Entry DOI: 10.7270/Q2RN3BXC
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)


BindingDB Entry DOI: 10.7270/Q2RN3BXC
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)


BindingDB Entry DOI: 10.7270/Q2RN3BXC
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))		BDBM455211
PNG
(US10730874, Compound I-225 | US11352356, Compound ...)
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)


BindingDB Entry DOI: 10.7270/Q2RN3BXC
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))		BDBM455212
PNG
(US10730874, Compound I-226 | US11352356, Compound ...)
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)


BindingDB Entry DOI: 10.7270/Q2RN3BXC
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))		BDBM455213
PNG
(US10730874, Compound I-227a)
Show SMILES CCOC(=O)CC(NC(=O)c1cn(Cc2cn3cc(ccc3n2)C2CC2)nn1)c1ncn2ccc(Cl)c(F)c12
Show InChI InChI=1S/C26H24ClFN8O3/c1-2-39-22(37)9-19(24-25-23(28)18(27)7-8-34(25)14-29-24)31-26(38)20-13-36(33-32-20)12-17-11-35-10-16(15-3-4-15)5-6-21(35)30-17/h5-8,10-11,13-15,19H,2-4,9,12H2,1H3,(H,31,38)
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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)


BindingDB Entry DOI: 10.7270/Q2RN3BXC
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))		BDBM455214
PNG
(US10730874, Compound I-227b)
Show SMILES OC(=O)CC(NC(=O)c1cn(Cc2cn3cc(ccc3n2)C2CC2)nn1)c1ncn2ccc(Cl)c(F)c12
Show InChI InChI=1S/C24H20ClFN8O3/c25-16-5-6-32-12-27-22(23(32)21(16)26)17(7-20(35)36)29-24(37)18-11-34(31-30-18)10-15-9-33-8-14(13-1-2-13)3-4-19(33)28-15/h3-6,8-9,11-13,17H,1-2,7,10H2,(H,29,37)(H,35,36)
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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)


BindingDB Entry DOI: 10.7270/Q2RN3BXC
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))		BDBM455215
PNG
(US10730874, Compound I-228 | US11352356, Compound ...)
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)


BindingDB Entry DOI: 10.7270/Q2RN3BXC
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))		BDBM455216
PNG
(US10730874, Compound I-229 | US11352356, Compound ...)
Show SMILES Fc1c(Cl)ccn2cnc(CNC(=O)c3cn(Cc4cc5ccc(cc5s4)C4CC4)nn3)c12
Show InChI InChI=1S/C23H18ClFN6OS/c24-17-5-6-30-12-27-18(22(30)21(17)25)9-26-23(32)19-11-31(29-28-19)10-16-7-15-4-3-14(13-1-2-13)8-20(15)33-16/h3-8,11-13H,1-2,9-10H2,(H,26,32)
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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)


BindingDB Entry DOI: 10.7270/Q2RN3BXC
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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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)


BindingDB Entry DOI: 10.7270/Q2RN3BXC
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))		BDBM455218
PNG
(US10730874, Compound I-231 | US11352356, Compound ...)
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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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)


BindingDB Entry DOI: 10.7270/Q2RN3BXC
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))		BDBM455219
PNG
(US10730874, Compound I-232 | US11352356, Compound ...)
Show SMILES Fc1c(Cl)ccn2cnc(CNC(=O)c3cn(Cc4cc5cc(ccc5[nH]4)C4CC4)nn3)c12
Show InChI InChI=1S/C23H19ClFN7O/c24-17-5-6-31-12-27-19(22(31)21(17)25)9-26-23(33)20-11-32(30-29-20)10-16-8-15-7-14(13-1-2-13)3-4-18(15)28-16/h3-8,11-13,28H,1-2,9-10H2,(H,26,33)
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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)


BindingDB Entry DOI: 10.7270/Q2RN3BXC
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))		BDBM455220
PNG
(US10730874, Compound I-233 | US11352356, Compound ...)
Show SMILES Cn1c(Cn2cc(nn2)C(=O)NCc2ncn3ccc(Cl)c(F)c23)cc2cc(ccc12)C1CC1
Show InChI InChI=1S/C24H21ClFN7O/c1-31-17(9-16-8-15(14-2-3-14)4-5-21(16)31)11-33-12-20(29-30-33)24(34)27-10-19-23-22(26)18(25)6-7-32(23)13-28-19/h4-9,12-14H,2-3,10-11H2,1H3,(H,27,34)
PDB

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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)


BindingDB Entry DOI: 10.7270/Q2RN3BXC
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))		BDBM455221
PNG
(US10730874, Compound I-234 | US11352356, Compound ...)
Show SMILES Fc1c(Cl)ccn2cnc(CNC(=O)c3cn(Cc4cc5ccc(Cl)cc5s4)nn3)c12
Show InChI InChI=1S/C20H13Cl2FN6OS/c21-12-2-1-11-5-13(31-17(11)6-12)8-29-9-16(26-27-29)20(30)24-7-15-19-18(23)14(22)3-4-28(19)10-25-15/h1-6,9-10H,7-8H2,(H,24,30)
PDB

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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)


BindingDB Entry DOI: 10.7270/Q2RN3BXC
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))		BDBM455222
PNG
(US10730874, Compound I-235 | US11352356, Compound ...)
Show SMILES Fc1c(Cl)ccn2cnc(CNC(=O)c3cn(Cc4cc5ccc(cc5[nH]4)C4CC4)nn3)c12
Show InChI InChI=1S/C23H19ClFN7O/c24-17-5-6-31-12-27-19(22(31)21(17)25)9-26-23(33)20-11-32(30-29-20)10-16-7-15-4-3-14(13-1-2-13)8-18(15)28-16/h3-8,11-13,28H,1-2,9-10H2,(H,26,33)
PDB

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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)


BindingDB Entry DOI: 10.7270/Q2RN3BXC
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))		BDBM455223
PNG
(US10730874, Compound I-236 | US11352356, Compound ...)
Show SMILES Fc1c(Cl)ccn2cnc(CNC(=O)c3cn(Cc4nc5cc(ccc5[nH]4)C4CC4)nn3)c12
Show InChI InChI=1S/C22H18ClFN8O/c23-14-5-6-31-11-26-17(21(31)20(14)24)8-25-22(33)18-9-32(30-29-18)10-19-27-15-4-3-13(12-1-2-12)7-16(15)28-19/h3-7,9,11-12H,1-2,8,10H2,(H,25,33)(H,27,28)
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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)


BindingDB Entry DOI: 10.7270/Q2RN3BXC
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))		BDBM455224
PNG
(US10730874, Compound I-237 | US11352356, Compound ...)
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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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)


BindingDB Entry DOI: 10.7270/Q2RN3BXC
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))		BDBM455225
PNG
(US10730874, Compound I-238 | US11352356, Compound ...)
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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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)


BindingDB Entry DOI: 10.7270/Q2RN3BXC
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))		BDBM455226
PNG
(US10730874, Compound I-239)
Show SMILES Fc1cc2nc(Cn3cc(nn3)C(=O)OCc3ncn4ccc(Cl)c(F)c34)cn2cc1C1CC1
Show InChI InChI=1S/C22H16ClF2N7O2/c23-15-3-4-30-11-26-18(21(30)20(15)25)10-34-22(33)17-9-32(29-28-17)7-13-6-31-8-14(12-1-2-12)16(24)5-19(31)27-13/h3-6,8-9,11-12H,1-2,7,10H2
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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)


BindingDB Entry DOI: 10.7270/Q2RN3BXC
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))		BDBM455227
PNG
(US10730874, Compound I-240 | US11352356, Compound ...)
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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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)


BindingDB Entry DOI: 10.7270/Q2RN3BXC
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))		BDBM455228
PNG
(US10730874, Compound I-241a | US11352356, Compound...)
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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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)


BindingDB Entry DOI: 10.7270/Q2RN3BXC
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))		BDBM455229
PNG
(US10730874, Compound I-241b | US11352356, Compound...)
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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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)


BindingDB Entry DOI: 10.7270/Q2RN3BXC
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))		BDBM455230
PNG
(US10730874, Compound I-242 | US11352356, Compound ...)
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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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)


BindingDB Entry DOI: 10.7270/Q2RN3BXC
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))		BDBM455231
PNG
(US10730874, Compound I-243 | US11352356, Compound ...)
Show SMILES Fc1c(Cl)ccn2cnc(CNC(=O)c3nnc(o3)C(F)(F)c3cn4cc(ccc4n3)C3CC3)c12
Show InChI InChI=1S/C22H15ClF3N7O2/c23-13-5-6-32-10-28-14(18(32)17(13)24)7-27-19(34)20-30-31-21(35-20)22(25,26)15-9-33-8-12(11-1-2-11)3-4-16(33)29-15/h3-6,8-11H,1-2,7H2,(H,27,34)
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n/an/an/an/a 5.5n/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)


BindingDB Entry DOI: 10.7270/Q2RN3BXC
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))		BDBM455232
PNG
(US10730874, Compound I-244 | US11352356, Compound ...)
Show SMILES COC(=O)Cn1c(Cn2cc(nn2)C(=O)NCc2ncn3ccc(Cl)c(F)c23)cc2cc(ccc12)C1CC1
Show InChI InChI=1S/C26H23ClFN7O3/c1-38-23(36)13-35-18(9-17-8-16(15-2-3-15)4-5-22(17)35)11-34-12-21(31-32-34)26(37)29-10-20-25-24(28)19(27)6-7-33(25)14-30-20/h4-9,12,14-15H,2-3,10-11,13H2,1H3,(H,29,37)
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n/an/an/an/a 55n/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)


BindingDB Entry DOI: 10.7270/Q2RN3BXC
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))		BDBM455233
PNG
(US10730874, Compound I-245a | US11352356, Compound...)
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)


BindingDB Entry DOI: 10.7270/Q2RN3BXC
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))		BDBM455234
PNG
(US10730874, Compound I-245b | US11352356, Compound...)
Show SMILES CC(Cc1cc(cn2cc(Cn3cc(nn3)C(=O)NCc3ncn4ccc(Cl)c(F)c34)nc12)C1CC1)C(O)=O
Show InChI InChI=1S/C26H24ClFN8O3/c1-14(26(38)39)6-16-7-17(15-2-3-15)9-35-10-18(31-24(16)35)11-36-12-21(32-33-36)25(37)29-8-20-23-22(28)19(27)4-5-34(23)13-30-20/h4-5,7,9-10,12-15H,2-3,6,8,11H2,1H3,(H,29,37)(H,38,39)
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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)


BindingDB Entry DOI: 10.7270/Q2RN3BXC
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))		BDBM455235
PNG
(US10730874, Compound I-246 | US11352356, Compound ...)
Show SMILES OC(=O)Cn1c(Cn2cc(nn2)C(=O)NCc2ncn3ccc(Cl)c(F)c23)cc2cc(ccc12)C1CC1
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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)


BindingDB Entry DOI: 10.7270/Q2RN3BXC
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))		BDBM455236
PNG
(US10730874, Compound I-247 | US11352356, Compound ...)
Show SMILES Fc1c(Cl)ccn2cnc(CNC(=O)c3cn(Cc4cn5cc(cc(-n6cn[nH]c(=O)c6=O)c5n4)C4CC4)nn3)c12
Show InChI InChI=1S/C25H19ClFN11O3/c26-16-3-4-35-11-29-17(21(35)20(16)27)6-28-23(39)18-10-37(34-32-18)9-15-8-36-7-14(13-1-2-13)5-19(22(36)31-15)38-12-30-33-24(40)25(38)41/h3-5,7-8,10-13H,1-2,6,9H2,(H,28,39)(H,33,40)
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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)


BindingDB Entry DOI: 10.7270/Q2RN3BXC
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))		BDBM455237
PNG
(US10730874, Compound I-248 | US11352356, Compound ...)
Show SMILES CCOC(=O)c1nncn1-c1cc(cn2cc(Cn3cc(nn3)C(=O)NCc3ncn4ccc(Cl)c(F)c34)nc12)C1CC1
Show InChI InChI=1S/C27H23ClFN11O3/c1-2-43-27(42)25-35-32-14-40(25)21-7-16(15-3-4-15)9-38-10-17(33-24(21)38)11-39-12-20(34-36-39)26(41)30-8-19-23-22(29)18(28)5-6-37(23)13-31-19/h5-7,9-10,12-15H,2-4,8,11H2,1H3,(H,30,41)
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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)


BindingDB Entry DOI: 10.7270/Q2RN3BXC
More data for this
Ligand-Target Pair
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