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Compile Data Set for Download or QSAR

Found 3087 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/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Plasma kallikrein


(Homo sapiens (Human))
BDBM283642
PNG
(N-((1-aminoisoquinolin-6-yl)methyl)-2-((3- methyl-...)
Show SMILES Cc1cnc2c(cc(Cc3cc(ccn3)C(=O)NCc3ccc4c(N)nccc4c3)cc2c1)S(N)(=O)=O
Show InChI InChI=1S/C27H24N6O3S/c1-16-8-21-10-18(12-24(37(29,35)36)25(21)32-14-16)11-22-13-20(5-6-30-22)27(34)33-15-17-2-3-23-19(9-17)4-7-31-26(23)28/h2-10,12-14H,11,15H2,1H3,(H2,28,31)(H,33,34)(H2,29,35,36)
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n/an/an/an/a<100n/an/an/an/a



LIFESCI PHARMACEUTICALS, INC.

US Patent


Assay Description
The test compounds at various concentrations, also prepared by serial dilutions as described above, are added to the test wells. The volume of test c...


US Patent US10023557 (2018)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM283644
PNG
(N-((3-chloro-1H-pyrrolo[2,3-b]pyridin-5- yl)methyl...)
Show SMILES Cc1cnc2c(cc(Cc3cc(ccn3)C(=O)NCc3cnc4[nH]cc(Cl)c4c3)cc2c1)S(N)(=O)=O
Show InChI InChI=1S/C25H21ClN6O3S/c1-14-4-18-5-15(8-22(36(27,34)35)23(18)29-10-14)6-19-9-17(2-3-28-19)25(33)32-12-16-7-20-21(26)13-31-24(20)30-11-16/h2-5,7-11,13H,6,12H2,1H3,(H,30,31)(H,32,33)(H2,27,34,35)
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n/an/an/an/a<100n/an/an/an/a



LIFESCI PHARMACEUTICALS, INC.

US Patent


Assay Description
The test compounds at various concentrations, also prepared by serial dilutions as described above, are added to the test wells. The volume of test c...


US Patent US10023557 (2018)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM283501
PNG
(N-((6-amino-2,4-dimethylpyridin-3-yl)methyl)- 2-((...)
Show SMILES Cc1cc(N)nc(C)c1CNC(=O)c1ccnc(Cc2cc3cc(Cl)cn3cn2)c1
Show InChI InChI=1S/C22H21ClN6O/c1-13-5-21(24)28-14(2)20(13)10-26-22(30)15-3-4-25-17(6-15)8-18-9-19-7-16(23)11-29(19)12-27-18/h3-7,9,11-12H,8,10H2,1-2H3,(H2,24,28)(H,26,30)
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n/an/an/an/a<100n/an/an/an/a



LIFESCI PHARMACEUTICALS, INC.

US Patent


Assay Description
The test compounds at various concentrations, also prepared by serial dilutions as described above, are added to the test wells. The volume of test c...


US Patent US10023557 (2018)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM283523
PNG
(N-((6-(aminomethyl)-2,4-dimethylpyridin-3- yl)meth...)
Show SMILES Cc1cc(CN)nc(C)c1CNC(=O)c1ccnc(Cc2ccc3ncc(cc3c2)C(F)(F)F)c1
Show InChI InChI=1S/C26H24F3N5O/c1-15-7-22(12-30)34-16(2)23(15)14-33-25(35)18-5-6-31-21(11-18)9-17-3-4-24-19(8-17)10-20(13-32-24)26(27,28)29/h3-8,10-11,13H,9,12,14,30H2,1-2H3,(H,33,35)
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n/an/an/an/a<100n/an/an/an/a



LIFESCI PHARMACEUTICALS, INC.

US Patent


Assay Description
The test compounds at various concentrations, also prepared by serial dilutions as described above, are added to the test wells. The volume of test c...


US Patent US10023557 (2018)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM283528
PNG
(N-((1-amino-5-methylisoquinolin-6-yl)methyl)- 2-((...)
Show SMILES Cc1c(CNC(=O)c2ccnc(Cc3ccc4ncc(Cl)cc4c3)c2)ccc2c(N)nccc12
Show InChI InChI=1S/C27H22ClN5O/c1-16-19(3-4-24-23(16)7-9-31-26(24)29)14-33-27(34)18-6-8-30-22(13-18)11-17-2-5-25-20(10-17)12-21(28)15-32-25/h2-10,12-13,15H,11,14H2,1H3,(H2,29,31)(H,33,34)
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n/an/an/an/a<100n/an/an/an/a



LIFESCI PHARMACEUTICALS, INC.

US Patent


Assay Description
The test compounds at various concentrations, also prepared by serial dilutions as described above, are added to the test wells. The volume of test c...


US Patent US10023557 (2018)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM283529
PNG
(N-((1-amino-5-fluoroisoquinolin-6-yl)methyl)-2- ((...)
Show SMILES Nc1nccc2c(F)c(CNC(=O)c3ccnc(Cc4ccc5ncc(Cl)cc5c4)c3)ccc12
Show InChI InChI=1S/C26H19ClFN5O/c27-19-11-18-9-15(1-4-23(18)32-14-19)10-20-12-16(5-7-30-20)26(34)33-13-17-2-3-22-21(24(17)28)6-8-31-25(22)29/h1-9,11-12,14H,10,13H2,(H2,29,31)(H,33,34)
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n/an/an/an/a<100n/an/an/an/a



LIFESCI PHARMACEUTICALS, INC.

US Patent


Assay Description
The test compounds at various concentrations, also prepared by serial dilutions as described above, are added to the test wells. The volume of test c...


US Patent US10023557 (2018)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM283379
PNG
(N-((1-aminoisoquinolin-6-yl)methyl)-2-((3- chloroq...)
Show SMILES Nc1nccc2cc(CNC(=O)c3ccnc(Cc4ccc5ncc(Cl)cc5c4)c3)ccc12
Show InChI InChI=1S/C26H20ClN5O/c27-21-12-20-9-16(2-4-24(20)31-15-21)11-22-13-19(6-7-29-22)26(33)32-14-17-1-3-23-18(10-17)5-8-30-25(23)28/h1-10,12-13,15H,11,14H2,(H2,28,30)(H,32,33)
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n/an/an/an/a<100n/an/an/an/a



LIFESCI PHARMACEUTICALS, INC.

US Patent


Assay Description
The test compounds at various concentrations, also prepared by serial dilutions as described above, are added to the test wells. The volume of test c...


US Patent US10023557 (2018)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM283532
PNG
(N-((1-amino-7-methylisoquinolin-6-yl)methyl)- 2-((...)
Show SMILES Cc1cc2c(N)nccc2cc1CNC(=O)c1ccnc(Cc2ccc3ncc(Cl)cc3c2)c1
Show InChI InChI=1S/C27H22ClN5O/c1-16-8-24-18(4-7-31-26(24)29)11-21(16)14-33-27(34)19-5-6-30-23(13-19)10-17-2-3-25-20(9-17)12-22(28)15-32-25/h2-9,11-13,15H,10,14H2,1H3,(H2,29,31)(H,33,34)
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n/an/an/an/a<100n/an/an/an/a



LIFESCI PHARMACEUTICALS, INC.

US Patent


Assay Description
The test compounds at various concentrations, also prepared by serial dilutions as described above, are added to the test wells. The volume of test c...


US Patent US10023557 (2018)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM283534
PNG
(N-((1-amino-7-methylisoquinolin-6-yl)methyl)- 2-((...)
Show SMILES Cc1cc2c(N)nccc2cc1CNC(=O)c1ccnc(Cc2ccc3ncc(cc3c2)C(F)(F)F)c1
Show InChI InChI=1S/C28H22F3N5O/c1-16-8-24-18(4-7-34-26(24)32)11-21(16)14-36-27(37)19-5-6-33-23(13-19)10-17-2-3-25-20(9-17)12-22(15-35-25)28(29,30)31/h2-9,11-13,15H,10,14H2,1H3,(H2,32,34)(H,36,37)
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n/an/an/an/a<100n/an/an/an/a



LIFESCI PHARMACEUTICALS, INC.

US Patent


Assay Description
The test compounds at various concentrations, also prepared by serial dilutions as described above, are added to the test wells. The volume of test c...


US Patent US10023557 (2018)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM283535
PNG
(N-((1-amino-5-methylisoquinolion-6-yl)methyl)- 2-(...)
Show SMILES Cc1c(CNC(=O)c2ccnc(Cc3ccc4ncc(cc4c3)C(F)(F)F)c2)ccc2c(N)nccc12
Show InChI InChI=1S/C28H22F3N5O/c1-16-19(3-4-24-23(16)7-9-34-26(24)32)14-36-27(37)18-6-8-33-22(13-18)11-17-2-5-25-20(10-17)12-21(15-35-25)28(29,30)31/h2-10,12-13,15H,11,14H2,1H3,(H2,32,34)(H,36,37)
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n/an/an/an/a<100n/an/an/an/a



LIFESCI PHARMACEUTICALS, INC.

US Patent


Assay Description
The test compounds at various concentrations, also prepared by serial dilutions as described above, are added to the test wells. The volume of test c...


US Patent US10023557 (2018)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM283537
PNG
(N-((1-amino-3-(trifluoromethyl)imidazo[1,5- a]pyri...)
Show SMILES Nc1nc(n2cc(CNC(=O)c3ccnc(Cc4ccc5ncc(Cl)cc5c4)c3)ccc12)C(F)(F)F
Show InChI InChI=1S/C25H18ClF3N6O/c26-18-9-17-7-14(1-3-20(17)32-12-18)8-19-10-16(5-6-31-19)23(36)33-11-15-2-4-21-22(30)34-24(25(27,28)29)35(21)13-15/h1-7,9-10,12-13H,8,11,30H2,(H,33,36)
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n/an/an/an/a<100n/an/an/an/a



LIFESCI PHARMACEUTICALS, INC.

US Patent


Assay Description
The test compounds at various concentrations, also prepared by serial dilutions as described above, are added to the test wells. The volume of test c...


US Patent US10023557 (2018)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM283452
PNG
(N-((6-amino-2,4-dimethylpyridin-3-yl)methyl)- 2-((...)
Show SMILES Cc1cc(cc(Cc2ccc3ncc(Cl)cc3c2)n1)C(=O)NCc1c(C)cc(N)nc1C
Show InChI InChI=1S/C25H24ClN5O/c1-14-6-24(27)31-16(3)22(14)13-29-25(32)19-7-15(2)30-21(11-19)9-17-4-5-23-18(8-17)10-20(26)12-28-23/h4-8,10-12H,9,13H2,1-3H3,(H2,27,31)(H,29,32)
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n/an/an/an/a<100n/an/an/an/a



LIFESCI PHARMACEUTICALS, INC.

US Patent


Assay Description
The test compounds at various concentrations, also prepared by serial dilutions as described above, are added to the test wells. The volume of test c...


US Patent US10023557 (2018)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM283555
PNG
(N-((6-amino-2,4-dimethylpyridin-3-yl)methyl)- 2-((...)
Show SMILES Cc1cc(N)nc(C)c1CNC(=O)c1ccnc(Cc2cnc3ncc(Cl)cc3c2)c1
Show InChI InChI=1S/C23H21ClN6O/c1-13-5-21(25)30-14(2)20(13)12-29-23(31)16-3-4-26-19(9-16)7-15-6-17-8-18(24)11-28-22(17)27-10-15/h3-6,8-11H,7,12H2,1-2H3,(H2,25,30)(H,29,31)
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n/an/an/an/a<100n/an/an/an/a



LIFESCI PHARMACEUTICALS, INC.

US Patent


Assay Description
The test compounds at various concentrations, also prepared by serial dilutions as described above, are added to the test wells. The volume of test c...


US Patent US10023557 (2018)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM283559
PNG
(N4-((6-amino-2,4-dimethylpyridin-3-yl)methyl)- 6-(...)
Show SMILES Cc1cc(N)nc(C)c1CNC(=O)c1cc(Cc2ccc3ncc(Cl)cc3c2)nc(c1)C(N)=O
Show InChI InChI=1S/C25H23ClN6O2/c1-13-5-23(27)31-14(2)20(13)12-30-25(34)17-9-19(32-22(10-17)24(28)33)7-15-3-4-21-16(6-15)8-18(26)11-29-21/h3-6,8-11H,7,12H2,1-2H3,(H2,27,31)(H2,28,33)(H,30,34)
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n/an/an/an/a<100n/an/an/an/a



LIFESCI PHARMACEUTICALS, INC.

US Patent


Assay Description
The test compounds at various concentrations, also prepared by serial dilutions as described above, are added to the test wells. The volume of test c...


US Patent US10023557 (2018)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM283561
PNG
(N-((6-amino-2,4-dimethylpyridin-3-yl)methyl)- 2-((...)
Show SMILES Cc1cc(N)nc(C)c1CNC(=O)c1cc(Cc2ccc3ncc(Cl)cc3c2)nc(c1)C(C)(C)O
Show InChI InChI=1S/C27H28ClN5O2/c1-15-7-25(29)32-16(2)22(15)14-31-26(34)19-11-21(33-24(12-19)27(3,4)35)9-17-5-6-23-18(8-17)10-20(28)13-30-23/h5-8,10-13,35H,9,14H2,1-4H3,(H2,29,32)(H,31,34)
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n/an/an/an/a<100n/an/an/an/a



LIFESCI PHARMACEUTICALS, INC.

US Patent


Assay Description
The test compounds at various concentrations, also prepared by serial dilutions as described above, are added to the test wells. The volume of test c...


US Patent US10023557 (2018)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM283562
PNG
(N-((6-amino-2,4-dimethylpyridin-3-yl)methyl)- 2-(a...)
Show SMILES Cc1cc(N)nc(C)c1CNC(=O)c1cc(CN)nc(Cc2ccc3ncc(Cl)cc3c2)c1
Show InChI InChI=1S/C25H25ClN6O/c1-14-5-24(28)31-15(2)22(14)13-30-25(33)18-9-20(32-21(10-18)11-27)7-16-3-4-23-17(6-16)8-19(26)12-29-23/h3-6,8-10,12H,7,11,13,27H2,1-2H3,(H2,28,31)(H,30,33)
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n/an/an/an/a<100n/an/an/an/a



LIFESCI PHARMACEUTICALS, INC.

US Patent


Assay Description
The test compounds at various concentrations, also prepared by serial dilutions as described above, are added to the test wells. The volume of test c...


US Patent US10023557 (2018)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM283563
PNG
(N-((6-amino-2,4-dimethylpyridin-3-yl)methyl)- 2-((...)
Show SMILES Cc1cc(N)nc(C)c1CNC(=O)c1cc(CO)nc(Cc2ccc3ncc(Cl)cc3c2)c1
Show InChI InChI=1S/C25H24ClN5O2/c1-14-5-24(27)30-15(2)22(14)12-29-25(33)18-9-20(31-21(10-18)13-32)7-16-3-4-23-17(6-16)8-19(26)11-28-23/h3-6,8-11,32H,7,12-13H2,1-2H3,(H2,27,30)(H,29,33)
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n/an/an/an/a<100n/an/an/an/a



LIFESCI PHARMACEUTICALS, INC.

US Patent


Assay Description
The test compounds at various concentrations, also prepared by serial dilutions as described above, are added to the test wells. The volume of test c...


US Patent US10023557 (2018)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM283564
PNG
(N-((6-amino-2,4-dimethylpyridin-3-yl)methyl)- 2-((...)
Show SMILES Cc1cc(N)nc(C)c1CNC(=O)c1cc(CC#N)nc(Cc2ccc3ncc(Cl)cc3c2)c1
Show InChI InChI=1S/C26H23ClN6O/c1-15-7-25(29)32-16(2)23(15)14-31-26(34)19-11-21(5-6-28)33-22(12-19)9-17-3-4-24-18(8-17)10-20(27)13-30-24/h3-4,7-8,10-13H,5,9,14H2,1-2H3,(H2,29,32)(H,31,34)
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n/an/an/an/a<100n/an/an/an/a



LIFESCI PHARMACEUTICALS, INC.

US Patent


Assay Description
The test compounds at various concentrations, also prepared by serial dilutions as described above, are added to the test wells. The volume of test c...


US Patent US10023557 (2018)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM283565
PNG
(N-((6-amino-2,4-dimethylpyridin-3-yl)methyl)- 2-(2...)
Show SMILES Cc1cc(N)nc(C)c1CNC(=O)c1cc(CC(N)=O)nc(Cc2ccc3ncc(Cl)cc3c2)c1
Show InChI InChI=1S/C26H25ClN6O2/c1-14-5-24(28)32-15(2)22(14)13-31-26(35)18-9-20(33-21(10-18)11-25(29)34)7-16-3-4-23-17(6-16)8-19(27)12-30-23/h3-6,8-10,12H,7,11,13H2,1-2H3,(H2,28,32)(H2,29,34)(H,31,35)
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n/an/an/an/a<100n/an/an/an/a



LIFESCI PHARMACEUTICALS, INC.

US Patent


Assay Description
The test compounds at various concentrations, also prepared by serial dilutions as described above, are added to the test wells. The volume of test c...


US Patent US10023557 (2018)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM283568
PNG
(N-((6-amino-2,4-dimethylpyridin-3-yl)methyl)- 2-((...)
Show SMILES Cc1cc(N)nc(C)c1CNC(=O)c1ccnc(Cc2cc(N)c3ncc(Cl)cc3c2)c1
Show InChI InChI=1S/C24H23ClN6O/c1-13-5-22(27)31-14(2)20(13)12-30-24(32)16-3-4-28-19(10-16)7-15-6-17-9-18(25)11-29-23(17)21(26)8-15/h3-6,8-11H,7,12,26H2,1-2H3,(H2,27,31)(H,30,32)
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n/an/an/an/a<100n/an/an/an/a



LIFESCI PHARMACEUTICALS, INC.

US Patent


Assay Description
The test compounds at various concentrations, also prepared by serial dilutions as described above, are added to the test wells. The volume of test c...


US Patent US10023557 (2018)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM283570
PNG
(N-((6-amino-2,4-dimethylpyridin-3-yl)methyl)- 2-((...)
Show SMILES Cc1cc(N)nc(C)c1CNC(=O)c1ccnc(Cc2cc(c3ncc(Cl)cc3c2)C(C)(C)O)c1
Show InChI InChI=1S/C27H28ClN5O2/c1-15-7-24(29)33-16(2)22(15)14-32-26(34)18-5-6-30-21(12-18)9-17-8-19-11-20(28)13-31-25(19)23(10-17)27(3,4)35/h5-8,10-13,35H,9,14H2,1-4H3,(H2,29,33)(H,32,34)
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n/an/an/an/a<100n/an/an/an/a



LIFESCI PHARMACEUTICALS, INC.

US Patent


Assay Description
The test compounds at various concentrations, also prepared by serial dilutions as described above, are added to the test wells. The volume of test c...


US Patent US10023557 (2018)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM283571
PNG
(N-((6-amino-2-methylpyridin-3-yl)methyl)-2- ((3-ch...)
Show SMILES Cc1nc(N)ccc1CNC(=O)c1ccnc(Cc2cc(c3ncc(Cl)cc3c2)C(C)(C)O)c1
Show InChI InChI=1S/C26H26ClN5O2/c1-15-18(4-5-23(28)32-15)13-31-25(33)17-6-7-29-21(12-17)9-16-8-19-11-20(27)14-30-24(19)22(10-16)26(2,3)34/h4-8,10-12,14,34H,9,13H2,1-3H3,(H2,28,32)(H,31,33)
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n/an/an/an/a<100n/an/an/an/a



LIFESCI PHARMACEUTICALS, INC.

US Patent


Assay Description
The test compounds at various concentrations, also prepared by serial dilutions as described above, are added to the test wells. The volume of test c...


US Patent US10023557 (2018)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM283575
PNG
(N-((3-chloro-1H-pyrrolo[2,3-b]pyridin-5- yl)methyl...)
Show SMILES CC(C)(O)c1cc(Cc2cc(ccn2)C(=O)NCc2cnc3[nH]cc(Cl)c3c2)cc2cc(Cl)cnc12
Show InChI InChI=1S/C27H23Cl2N5O2/c1-27(2,36)22-8-15(5-18-9-19(28)13-31-24(18)22)6-20-10-17(3-4-30-20)26(35)34-12-16-7-21-23(29)14-33-25(21)32-11-16/h3-5,7-11,13-14,36H,6,12H2,1-2H3,(H,32,33)(H,34,35)
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n/an/an/an/a<100n/an/an/an/a



LIFESCI PHARMACEUTICALS, INC.

US Patent


Assay Description
The test compounds at various concentrations, also prepared by serial dilutions as described above, are added to the test wells. The volume of test c...


US Patent US10023557 (2018)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM283576
PNG
(N-((1-aminoisoquinolin-6-yl)methyl)-2-((3- chloro-...)
Show SMILES CC(C)(O)c1cc(Cc2cc(ccn2)C(=O)NCc2ccc3c(N)nccc3c2)cc2cc(Cl)cnc12
Show InChI InChI=1S/C29H26ClN5O2/c1-29(2,37)25-12-18(10-21-13-22(30)16-34-26(21)25)11-23-14-20(6-7-32-23)28(36)35-15-17-3-4-24-19(9-17)5-8-33-27(24)31/h3-10,12-14,16,37H,11,15H2,1-2H3,(H2,31,33)(H,35,36)
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LIFESCI PHARMACEUTICALS, INC.

US Patent


Assay Description
The test compounds at various concentrations, also prepared by serial dilutions as described above, are added to the test wells. The volume of test c...


US Patent US10023557 (2018)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM283578
PNG
(N-((6-amino-2,4-dimethylpyridin-3-yl)methyl)- 2-((...)
Show SMILES Cc1cc(N)nc(C)c1CNC(=O)c1ccnc(Cc2cnc3cc(F)c(Cl)cc3c2)c1
Show InChI InChI=1S/C24H21ClFN5O/c1-13-5-23(27)31-14(2)19(13)12-30-24(32)16-3-4-28-18(8-16)7-15-6-17-9-20(25)21(26)10-22(17)29-11-15/h3-6,8-11H,7,12H2,1-2H3,(H2,27,31)(H,30,32)
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LIFESCI PHARMACEUTICALS, INC.

US Patent


Assay Description
The test compounds at various concentrations, also prepared by serial dilutions as described above, are added to the test wells. The volume of test c...


US Patent US10023557 (2018)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM283580
PNG
(N-((6-amino-2,4-dimethylpyridin-3-yl)methyl)- 2-((...)
Show SMILES Cc1cc(N)nc(C)c1CNC(=O)c1ccnc(Cc2ccc3ncc(cc3c2)C(F)(F)F)c1
Show InChI InChI=1S/C25H22F3N5O/c1-14-7-23(29)33-15(2)21(14)13-32-24(34)17-5-6-30-20(11-17)9-16-3-4-22-18(8-16)10-19(12-31-22)25(26,27)28/h3-8,10-12H,9,13H2,1-2H3,(H2,29,33)(H,32,34)
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LIFESCI PHARMACEUTICALS, INC.

US Patent


Assay Description
The test compounds at various concentrations, also prepared by serial dilutions as described above, are added to the test wells. The volume of test c...


US Patent US10023557 (2018)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM283581
PNG
(N-((6-amino-2-methylpyridin-3-yl)methyl)-2- ((3-(t...)
Show SMILES Cc1nc(N)ccc1CNC(=O)c1ccnc(Cc2ccc3ncc(cc3c2)C(F)(F)F)c1
Show InChI InChI=1S/C24H20F3N5O/c1-14-17(3-5-22(28)32-14)12-31-23(33)16-6-7-29-20(11-16)9-15-2-4-21-18(8-15)10-19(13-30-21)24(25,26)27/h2-8,10-11,13H,9,12H2,1H3,(H2,28,32)(H,31,33)
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LIFESCI PHARMACEUTICALS, INC.

US Patent


Assay Description
The test compounds at various concentrations, also prepared by serial dilutions as described above, are added to the test wells. The volume of test c...


US Patent US10023557 (2018)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM283584
PNG
(N-((1-aminoisoquinolin-6-yl)methyl)-2-((3- (triflu...)
Show SMILES Nc1nccc2cc(CNC(=O)c3ccnc(Cc4ccc5ncc(cc5c4)C(F)(F)F)c3)ccc12
Show InChI InChI=1S/C27H20F3N5O/c28-27(29,30)21-12-20-9-16(2-4-24(20)34-15-21)11-22-13-19(6-7-32-22)26(36)35-14-17-1-3-23-18(10-17)5-8-33-25(23)31/h1-10,12-13,15H,11,14H2,(H2,31,33)(H,35,36)
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LIFESCI PHARMACEUTICALS, INC.

US Patent


Assay Description
The test compounds at various concentrations, also prepared by serial dilutions as described above, are added to the test wells. The volume of test c...


US Patent US10023557 (2018)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM283587
PNG
(N-((6-amino-2,4-dimethylpyridin-3-yl)methyl)- 2-((...)
Show SMILES Cc1cc(N)nc(C)c1CNC(=O)c1ccnc(Cc2cc(c3ncc(Cl)cc3c2)S(N)(=O)=O)c1
Show InChI InChI=1S/C24H23ClN6O3S/c1-13-5-22(26)31-14(2)20(13)12-30-24(32)16-3-4-28-19(10-16)7-15-6-17-9-18(25)11-29-23(17)21(8-15)35(27,33)34/h3-6,8-11H,7,12H2,1-2H3,(H2,26,31)(H,30,32)(H2,27,33,34)
PDB

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LIFESCI PHARMACEUTICALS, INC.

US Patent


Assay Description
The test compounds at various concentrations, also prepared by serial dilutions as described above, are added to the test wells. The volume of test c...


US Patent US10023557 (2018)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM283588
PNG
(N-((6-amino-2-methylpyridin-3-yl)methyl)-2- ((3-ch...)
Show SMILES Cc1nc(N)ccc1CNC(=O)c1ccnc(Cc2cc(c3ncc(Cl)cc3c2)S(N)(=O)=O)c1
Show InChI InChI=1S/C23H21ClN6O3S/c1-13-16(2-3-21(25)30-13)11-29-23(31)15-4-5-27-19(10-15)7-14-6-17-9-18(24)12-28-22(17)20(8-14)34(26,32)33/h2-6,8-10,12H,7,11H2,1H3,(H2,25,30)(H,29,31)(H2,26,32,33)
PDB

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LIFESCI PHARMACEUTICALS, INC.

US Patent


Assay Description
The test compounds at various concentrations, also prepared by serial dilutions as described above, are added to the test wells. The volume of test c...


US Patent US10023557 (2018)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM283590
PNG
(N-((6-amino-2,4-dimethylpyridin-3-yl)methyl)- 2-((...)
Show SMILES Cc1cc(N)nc(C)c1CNC(=O)c1ccnc(Cc2ccc3nc(C)c(Cl)cc3c2)c1
Show InChI InChI=1S/C25H24ClN5O/c1-14-8-24(27)31-15(2)21(14)13-29-25(32)18-6-7-28-20(11-18)10-17-4-5-23-19(9-17)12-22(26)16(3)30-23/h4-9,11-12H,10,13H2,1-3H3,(H2,27,31)(H,29,32)
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LIFESCI PHARMACEUTICALS, INC.

US Patent


Assay Description
The test compounds at various concentrations, also prepared by serial dilutions as described above, are added to the test wells. The volume of test c...


US Patent US10023557 (2018)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM283593
PNG
(N-((6-amino-2,4-dimethylpyridin-3-yl)methyl)- 2-((...)
Show SMILES Cc1cc(N)nc(C)c1CNC(=O)c1ccnc(Cc2cc(CN)c3ncc(Cl)cc3c2)c1
Show InChI InChI=1S/C25H25ClN6O/c1-14-5-23(28)32-15(2)22(14)13-31-25(33)17-3-4-29-21(10-17)8-16-6-18-9-20(26)12-30-24(18)19(7-16)11-27/h3-7,9-10,12H,8,11,13,27H2,1-2H3,(H2,28,32)(H,31,33)
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LIFESCI PHARMACEUTICALS, INC.

US Patent


Assay Description
The test compounds at various concentrations, also prepared by serial dilutions as described above, are added to the test wells. The volume of test c...


US Patent US10023557 (2018)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM283595
PNG
(N-((6-amino-2,4-dimethylpyridin-3-yl)methyl)- 2-((...)
Show SMILES Cc1cc(N)nc(C)c1CNC(=O)c1ccnc(Cc2ccc3ncc(cc3c2)C2CC2)c1
Show InChI InChI=1S/C27H27N5O/c1-16-9-26(28)32-17(2)24(16)15-31-27(33)20-7-8-29-23(13-20)11-18-3-6-25-21(10-18)12-22(14-30-25)19-4-5-19/h3,6-10,12-14,19H,4-5,11,15H2,1-2H3,(H2,28,32)(H,31,33)
PDB

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LIFESCI PHARMACEUTICALS, INC.

US Patent


Assay Description
The test compounds at various concentrations, also prepared by serial dilutions as described above, are added to the test wells. The volume of test c...


US Patent US10023557 (2018)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM283596
PNG
(N-((6-amino-2-methylpyridin-3-yl)methyl)-2- ((3-cy...)
Show SMILES Cc1nc(N)ccc1CNC(=O)c1ccnc(Cc2ccc3ncc(cc3c2)C2CC2)c1
Show InChI InChI=1S/C26H25N5O/c1-16-20(5-7-25(27)31-16)14-30-26(32)19-8-9-28-23(13-19)11-17-2-6-24-21(10-17)12-22(15-29-24)18-3-4-18/h2,5-10,12-13,15,18H,3-4,11,14H2,1H3,(H2,27,31)(H,30,32)
PDB

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LIFESCI PHARMACEUTICALS, INC.

US Patent


Assay Description
The test compounds at various concentrations, also prepared by serial dilutions as described above, are added to the test wells. The volume of test c...


US Patent US10023557 (2018)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM283599
PNG
(N-((1-aminoisoquinolin-6-yl)methyl)-2-((3- cyclopr...)
Show SMILES Nc1nccc2cc(CNC(=O)c3ccnc(Cc4ccc5ncc(cc5c4)C4CC4)c3)ccc12
Show InChI InChI=1S/C29H25N5O/c30-28-26-5-1-19(12-21(26)7-10-32-28)16-34-29(35)22-8-9-31-25(15-22)13-18-2-6-27-23(11-18)14-24(17-33-27)20-3-4-20/h1-2,5-12,14-15,17,20H,3-4,13,16H2,(H2,30,32)(H,34,35)
PDB

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LIFESCI PHARMACEUTICALS, INC.

US Patent


Assay Description
The test compounds at various concentrations, also prepared by serial dilutions as described above, are added to the test wells. The volume of test c...


US Patent US10023557 (2018)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM283606
PNG
(N-((6-amino-2-methylpyridin-3-yl)methyl)-2- ((8-(a...)
Show SMILES Cc1nc(N)ccc1CNC(=O)c1ccnc(Cc2cc(CN)c3ncc(Cl)cc3c2)c1
Show InChI InChI=1S/C24H23ClN6O/c1-14-17(2-3-22(27)31-14)12-30-24(32)16-4-5-28-21(10-16)8-15-6-18-9-20(25)13-29-23(18)19(7-15)11-26/h2-7,9-10,13H,8,11-12,26H2,1H3,(H2,27,31)(H,30,32)
PDB

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LIFESCI PHARMACEUTICALS, INC.

US Patent


Assay Description
The test compounds at various concentrations, also prepared by serial dilutions as described above, are added to the test wells. The volume of test c...


US Patent US10023557 (2018)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM283607
PNG
(N-((6-amino-2,4-dimethylpyridin-3-yl)methyl)- 2-((...)
Show SMILES CC(C)c1cnc2ccc(Cc3cc(ccn3)C(=O)NCc3c(C)cc(N)nc3C)cc2c1
Show InChI InChI=1S/C27H29N5O/c1-16(2)22-12-21-10-19(5-6-25(21)30-14-22)11-23-13-20(7-8-29-23)27(33)31-15-24-17(3)9-26(28)32-18(24)4/h5-10,12-14,16H,11,15H2,1-4H3,(H2,28,32)(H,31,33)
PDB

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LIFESCI PHARMACEUTICALS, INC.

US Patent


Assay Description
The test compounds at various concentrations, also prepared by serial dilutions as described above, are added to the test wells. The volume of test c...


US Patent US10023557 (2018)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM283608
PNG
(N-((6-amino-2,4-dimethylpyridin-3-yl)methyl)- 2-((...)
Show SMILES CCCc1cnc2ccc(Cc3cc(ccn3)C(=O)NCc3c(C)cc(N)nc3C)cc2c1
Show InChI InChI=1S/C27H29N5O/c1-4-5-20-12-22-11-19(6-7-25(22)30-15-20)13-23-14-21(8-9-29-23)27(33)31-16-24-17(2)10-26(28)32-18(24)3/h6-12,14-15H,4-5,13,16H2,1-3H3,(H2,28,32)(H,31,33)
PDB

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LIFESCI PHARMACEUTICALS, INC.

US Patent


Assay Description
The test compounds at various concentrations, also prepared by serial dilutions as described above, are added to the test wells. The volume of test c...


US Patent US10023557 (2018)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM283617
PNG
(N-((6-amino-2,4-dimethylpyridin-3-yl)methyl)- 2-((...)
Show SMILES COc1cnc2ccc(Cc3cc(ccn3)C(=O)NCc3c(C)cc(N)nc3C)cc2c1
Show InChI InChI=1S/C25H25N5O2/c1-15-8-24(26)30-16(2)22(15)14-29-25(31)18-6-7-27-20(11-18)10-17-4-5-23-19(9-17)12-21(32-3)13-28-23/h4-9,11-13H,10,14H2,1-3H3,(H2,26,30)(H,29,31)
PDB

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LIFESCI PHARMACEUTICALS, INC.

US Patent


Assay Description
The test compounds at various concentrations, also prepared by serial dilutions as described above, are added to the test wells. The volume of test c...


US Patent US10023557 (2018)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM283631
PNG
(N-((6-amino-2,4-dimethylpyridin-3-yl)methyl)- 2-((...)
Show SMILES Cc1cc(N)nc(C)c1CNC(=O)c1ccnc(Cc2ccc3ncc(CC(F)F)cc3c2)c1
Show InChI InChI=1S/C26H25F2N5O/c1-15-7-25(29)33-16(2)22(15)14-32-26(34)19-5-6-30-21(12-19)10-17-3-4-23-20(8-17)9-18(13-31-23)11-24(27)28/h3-9,12-13,24H,10-11,14H2,1-2H3,(H2,29,33)(H,32,34)
PDB

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LIFESCI PHARMACEUTICALS, INC.

US Patent


Assay Description
The test compounds at various concentrations, also prepared by serial dilutions as described above, are added to the test wells. The volume of test c...


US Patent US10023557 (2018)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM283636
PNG
(N-((1-aminoisoquinolin-6-yl)methyl)-2-((3- ethylqu...)
Show SMILES CCc1cnc2ccc(Cc3cc(ccn3)C(=O)NCc3ccc4c(N)nccc4c3)cc2c1
Show InChI InChI=1S/C28H25N5O/c1-2-18-11-23-12-19(4-6-26(23)32-16-18)14-24-15-22(8-9-30-24)28(34)33-17-20-3-5-25-21(13-20)7-10-31-27(25)29/h3-13,15-16H,2,14,17H2,1H3,(H2,29,31)(H,33,34)
PDB

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n/an/an/an/a<100n/an/an/an/a



LIFESCI PHARMACEUTICALS, INC.

US Patent


Assay Description
The test compounds at various concentrations, also prepared by serial dilutions as described above, are added to the test wells. The volume of test c...


US Patent US10023557 (2018)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM283639
PNG
(N-((6-amino-2,4-dimethylpyridin-3-yl)methyl)- 2-((...)
Show SMILES CCc1cnc2ccc(Cc3cc(ccn3)C(=O)NCc3c(C)cc(N)nc3C)cc2c1
Show InChI InChI=1S/C26H27N5O/c1-4-18-10-21-11-19(5-6-24(21)29-14-18)12-22-13-20(7-8-28-22)26(32)30-15-23-16(2)9-25(27)31-17(23)3/h5-11,13-14H,4,12,15H2,1-3H3,(H2,27,31)(H,30,32)
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US Patent
n/an/an/an/a<100n/an/an/an/a



LIFESCI PHARMACEUTICALS, INC.

US Patent


Assay Description
The test compounds at various concentrations, also prepared by serial dilutions as described above, are added to the test wells. The volume of test c...


US Patent US10023557 (2018)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM283640
PNG
(N-((3-chloro-6-fluoro-1H-indol-5-yl)methyl)-2- ((3...)
Show SMILES Cc1cnc2c(cc(Cc3cc(ccn3)C(=O)NCc3cc4c(Cl)c[nH]c4cc3F)cc2c1)S(N)(=O)=O
Show InChI InChI=1S/C26H21ClFN5O3S/c1-14-4-17-5-15(7-24(37(29,35)36)25(17)32-11-14)6-19-8-16(2-3-30-19)26(34)33-12-18-9-20-21(27)13-31-23(20)10-22(18)28/h2-5,7-11,13,31H,6,12H2,1H3,(H,33,34)(H2,29,35,36)
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US Patent
n/an/an/an/a<100n/an/an/an/a



LIFESCI PHARMACEUTICALS, INC.

US Patent


Assay Description
The test compounds at various concentrations, also prepared by serial dilutions as described above, are added to the test wells. The volume of test c...


US Patent US10023557 (2018)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM283363
PNG
(N-((6-amino-2,4-dimethylpyridin-3-yl)methyl)- 2-((...)
Show SMILES Cc1cnc2c(cc(Cc3cc(ccn3)C(=O)NCc3c(C)cc(N)nc3C)cc2c1)S(C)(=O)=O
Show InChI InChI=1S/C26H27N5O3S/c1-15-7-20-9-18(11-23(35(4,33)34)25(20)29-13-15)10-21-12-19(5-6-28-21)26(32)30-14-22-16(2)8-24(27)31-17(22)3/h5-9,11-13H,10,14H2,1-4H3,(H2,27,31)(H,30,32)
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US Patent
n/an/an/an/a<100n/an/an/an/a



LIFESCI PHARMACEUTICALS, INC.

US Patent


Assay Description
The test compounds at various concentrations, also prepared by serial dilutions as described above, are added to the test wells. The volume of test c...


US Patent US10023557 (2018)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM283364
PNG
(N-((1-aminoisoquinolin-6-yl)methyl)-2-((3- methyl-...)
Show SMILES Cc1cnc2c(cc(Cc3cc(ccn3)C(=O)NCc3ccc4c(N)nccc4c3)cc2c1)S(C)(=O)=O
Show InChI InChI=1S/C28H25N5O3S/c1-17-9-22-11-19(13-25(37(2,35)36)26(22)32-15-17)12-23-14-21(6-7-30-23)28(34)33-16-18-3-4-24-20(10-18)5-8-31-27(24)29/h3-11,13-15H,12,16H2,1-2H3,(H2,29,31)(H,33,34)
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n/an/an/an/a<100n/an/an/an/a



LIFESCI PHARMACEUTICALS, INC.

US Patent


Assay Description
The test compounds at various concentrations, also prepared by serial dilutions as described above, are added to the test wells. The volume of test c...


US Patent US10023557 (2018)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM283365
PNG
(N-((3-chloro-6-fluoro-1H-indol-5-yl)methyl)-2- ((3...)
Show SMILES Cc1cnc2c(cc(Cc3cc(ccn3)C(=O)NCc3cc4c(Cl)c[nH]c4cc3F)cc2c1)S(C)(=O)=O
Show InChI InChI=1S/C27H22ClFN4O3S/c1-15-5-18-6-16(8-25(37(2,35)36)26(18)32-12-15)7-20-9-17(3-4-30-20)27(34)33-13-19-10-21-22(28)14-31-24(21)11-23(19)29/h3-6,8-12,14,31H,7,13H2,1-2H3,(H,33,34)
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US Patent
n/an/an/an/a<100n/an/an/an/a



LIFESCI PHARMACEUTICALS, INC.

US Patent


Assay Description
The test compounds at various concentrations, also prepared by serial dilutions as described above, are added to the test wells. The volume of test c...


US Patent US10023557 (2018)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM283368
PNG
(N-((5-chloro-1H-indazol-3-yl)methyl)-2-((3- methyl...)
Show SMILES Cc1cnc2c(cc(Cc3cc(ccn3)C(=O)NCc3n[nH]c4ccc(Cl)cc34)cc2c1)S(C)(=O)=O
Show InChI InChI=1S/C26H22ClN5O3S/c1-15-7-18-8-16(10-24(36(2,34)35)25(18)29-13-15)9-20-11-17(5-6-28-20)26(33)30-14-23-21-12-19(27)3-4-22(21)31-32-23/h3-8,10-13H,9,14H2,1-2H3,(H,30,33)(H,31,32)
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n/an/an/an/a<100n/an/an/an/a



LIFESCI PHARMACEUTICALS, INC.

US Patent


Assay Description
The test compounds at various concentrations, also prepared by serial dilutions as described above, are added to the test wells. The volume of test c...


US Patent US10023557 (2018)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM283369
PNG
(N-((3-chloro-4-fluoro-1H-indol-5-yl)methyl)-2- ((3...)
Show SMILES Cc1cnc2c(cc(Cc3cc(ccn3)C(=O)NCc3ccc4[nH]cc(Cl)c4c3F)cc2c1)S(C)(=O)=O
Show InChI InChI=1S/C27H22ClFN4O3S/c1-15-7-19-8-16(10-23(37(2,35)36)26(19)32-12-15)9-20-11-17(5-6-30-20)27(34)33-13-18-3-4-22-24(25(18)29)21(28)14-31-22/h3-8,10-12,14,31H,9,13H2,1-2H3,(H,33,34)
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US Patent
n/an/an/an/a<100n/an/an/an/a



LIFESCI PHARMACEUTICALS, INC.

US Patent


Assay Description
The test compounds at various concentrations, also prepared by serial dilutions as described above, are added to the test wells. The volume of test c...


US Patent US10023557 (2018)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM283379
PNG
(N-((1-aminoisoquinolin-6-yl)methyl)-2-((3- chloroq...)
Show SMILES Nc1nccc2cc(CNC(=O)c3ccnc(Cc4ccc5ncc(Cl)cc5c4)c3)ccc12
Show InChI InChI=1S/C26H20ClN5O/c27-21-12-20-9-16(2-4-24(20)31-15-21)11-22-13-19(6-7-29-22)26(33)32-14-17-1-3-23-18(10-17)5-8-30-25(23)28/h1-10,12-13,15H,11,14H2,(H2,28,30)(H,32,33)
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n/an/an/an/a<100n/an/an/an/a



LIFESCI PHARMACEUTICALS, INC.

US Patent


Assay Description
The test compounds at various concentrations, also prepared by serial dilutions as described above, are added to the test wells. The volume of test c...


US Patent US10023557 (2018)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM283382
PNG
(N-((6-amino-2-methylpyridin-3-yl)methyl)-2- ((3-ch...)
Show SMILES Cc1nc(N)ccc1CNC(=O)c1ccnc(Cc2ccc3ncc(Cl)cc3c2)c1
Show InChI InChI=1S/C23H20ClN5O/c1-14-17(3-5-22(25)29-14)12-28-23(30)16-6-7-26-20(11-16)9-15-2-4-21-18(8-15)10-19(24)13-27-21/h2-8,10-11,13H,9,12H2,1H3,(H2,25,29)(H,28,30)
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US Patent
n/an/an/an/a<100n/an/an/an/a



LIFESCI PHARMACEUTICALS, INC.

US Patent


Assay Description
The test compounds at various concentrations, also prepared by serial dilutions as described above, are added to the test wells. The volume of test c...


US Patent US10023557 (2018)

More data for this
Ligand-Target Pair
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