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Compile Data Set for Download or QSAR

Found 132 hits of ec50 data for polymerid = 336   
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))
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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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
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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))
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
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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
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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))
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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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))
BDBM283383
PNG
(N-((6-amino-2,4-dimethylpyridin-3-yl)methyl)- 2-((...)
Show SMILES Cc1cc(N)nc(C)c1CNC(=O)c1ccnc(Cc2ccc3ncc(Cl)cc3c2)c1
Show InChI InChI=1S/C24H22ClN5O/c1-14-7-23(26)30-15(2)21(14)13-29-24(31)17-5-6-27-20(11-17)9-16-3-4-22-18(8-16)10-19(25)12-28-22/h3-8,10-12H,9,13H2,1-2H3,(H2,26,30)(H,29,31)
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))
BDBM283398
PNG
(N-((6-amino-2,4-dimethylpyridin-3-yl)methyl)- 2-((...)
Show SMILES Cc1cc(N)nc(C)c1CNC(=O)c1ccnc(Cc2cc(C#N)c3ncc(Cl)cc3c2)c1
Show InChI InChI=1S/C25H21ClN6O/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,8,13H2,1-2H3,(H2,28,32)(H,31,33)
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))
BDBM283406
PNG
(6-((4-(((6-amino-2,4-dimethylpyridin-3- yl)methyl)...)
Show SMILES Cc1cc(N)nc(C)c1CNC(=O)c1ccnc(Cc2cc(C(N)=O)c3ncc(Cl)cc3c2)c1
Show InChI InChI=1S/C25H23ClN6O2/c1-13-5-22(27)32-14(2)21(13)12-31-25(34)16-3-4-29-19(10-16)7-15-6-17-9-18(26)11-30-23(17)20(8-15)24(28)33/h3-6,8-11H,7,12H2,1-2H3,(H2,27,32)(H2,28,33)(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))
BDBM283410
PNG
(6-((4-(((6-amino-2-methylpyridin-3- yl)methyl)carb...)
Show SMILES Cc1nc(N)ccc1CNC(=O)c1ccnc(Cc2cc(C(N)=O)c3ncc(Cl)cc3c2)c1
Show InChI InChI=1S/C24H21ClN6O2/c1-13-16(2-3-21(26)31-13)11-30-24(33)15-4-5-28-19(10-15)7-14-6-17-9-18(25)12-29-22(17)20(8-14)23(27)32/h2-6,8-10,12H,7,11H2,1H3,(H2,26,31)(H2,27,32)(H,30,33)
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))
BDBM283412
PNG
(6-((4-(((1-aminoisoquinolin-6- yl)methyl)carbamoyl...)
Show SMILES NC(=O)c1cc(Cc2cc(ccn2)C(=O)NCc2ccc3c(N)nccc3c2)cc2cc(Cl)cnc12
Show InChI InChI=1S/C27H21ClN6O2/c28-20-11-19-8-16(10-23(26(30)35)24(19)33-14-20)9-21-12-18(4-5-31-21)27(36)34-13-15-1-2-22-17(7-15)3-6-32-25(22)29/h1-8,10-12,14H,9,13H2,(H2,29,32)(H2,30,35)(H,34,36)
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))
BDBM283413
PNG
(3-chloro-6-((4-(((3-chloro-4-fluoro-1H-indol-5- yl...)
Show SMILES NC(=O)c1cc(Cc2cc(ccn2)C(=O)NCc2ccc3[nH]cc(Cl)c3c2F)cc2cc(Cl)cnc12
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))
BDBM283415
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(C)(=O)=O)c1
Show InChI InChI=1S/C25H24ClN5O3S/c1-14-6-23(27)31-15(2)21(14)13-30-25(32)17-4-5-28-20(11-17)8-16-7-18-10-19(26)12-29-24(18)22(9-16)35(3,33)34/h4-7,9-12H,8,13H2,1-3H3,(H2,27,31)(H,30,32)
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))
BDBM283416
PNG
(N-((3-chloro-6-fluoro-1H-indol-5-yl)methyl)-2- ((3...)
Show SMILES CS(=O)(=O)c1cc(Cc2cc(ccn2)C(=O)NCc2cc3c(Cl)c[nH]c3cc2F)cc2cc(Cl)cnc12
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))
BDBM283417
PNG
(N-((6-amino-2-methylpyridin-3-yl)methyl)-2- ((3-ch...)
Show SMILES Cc1nc(N)ccc1CNC(=O)c1ccnc(Cc2cc(c3ncc(Cl)cc3c2)S(C)(=O)=O)c1
Show InChI InChI=1S/C24H22ClN5O3S/c1-14-17(3-4-22(26)30-14)12-29-24(31)16-5-6-27-20(11-16)8-15-7-18-10-19(25)13-28-23(18)21(9-15)34(2,32)33/h3-7,9-11,13H,8,12H2,1-2H3,(H2,26,30)(H,29,31)
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))
BDBM283418
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)C#N
Show InChI InChI=1S/C26H24N6O/c1-15-6-20-8-18(9-21(12-27)25(20)30-13-15)10-22-11-19(4-5-29-22)26(33)31-14-23-16(2)7-24(28)32-17(23)3/h4-9,11,13H,10,14H2,1-3H3,(H2,28,32)(H,31,33)
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))
BDBM283419
PNG
(N-((1-aminoisoquinolin-6-yl)methyl)-2-((8- cyano-3...)
Show SMILES Cc1cnc2c(cc(Cc3cc(ccn3)C(=O)NCc3ccc4c(N)nccc4c3)cc2c1)C#N
Show InChI InChI=1S/C28H22N6O/c1-17-8-22-10-19(11-23(14-29)26(22)33-15-17)12-24-13-21(5-6-31-24)28(35)34-16-18-2-3-25-20(9-18)4-7-32-27(25)30/h2-11,13,15H,12,16H2,1H3,(H2,30,32)(H,34,35)
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))
BDBM283425
PNG
(6-((4-(((6-amino-2,4-dimethylpyridin-3- yl)methyl)...)
Show SMILES Cc1cnc2c(cc(Cc3cc(ccn3)C(=O)NCc3c(C)cc(N)nc3C)cc2c1)C(N)=O
Show InChI InChI=1S/C26H26N6O2/c1-14-6-19-8-17(10-21(25(28)33)24(19)30-12-14)9-20-11-18(4-5-29-20)26(34)31-13-22-15(2)7-23(27)32-16(22)3/h4-8,10-12H,9,13H2,1-3H3,(H2,27,32)(H2,28,33)(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))
BDBM283426
PNG
(6-((4-(((3-chloro-6-fluoro-1H-indol-5- yl)methyl)c...)
Show SMILES Cc1cnc2c(cc(Cc3cc(ccn3)C(=O)NCc3cc4c(Cl)c[nH]c4cc3F)cc2c1)C(N)=O
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))
BDBM283427
PNG
(6-((4-(((1-aminoisoquinolin-6- yl)methyl)carbamoyl...)
Show SMILES Cc1cnc2c(cc(Cc3cc(ccn3)C(=O)NCc3ccc4c(N)nccc4c3)cc2c1)C(N)=O
Show InChI InChI=1S/C28H24N6O2/c1-16-8-21-10-18(12-24(27(30)35)25(21)33-14-16)11-22-13-20(5-6-31-22)28(36)34-15-17-2-3-23-19(9-17)4-7-32-26(23)29/h2-10,12-14H,11,15H2,1H3,(H2,29,32)(H2,30,35)(H,34,36)
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))
BDBM283428
PNG
(6-((4-(((3-chloro-1H-pyrrolo[2,3-b]pyridin-5- yl)m...)
Show SMILES Cc1cnc2c(cc(Cc3cc(ccn3)C(=O)NCc3cnc4[nH]cc(Cl)c4c3)cc2c1)C(N)=O
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))
BDBM283432
PNG
(6-((4-(((6-amino-2,4-dimethylpyridin-3- yl)methyl)...)
Show SMILES Cc1cnc2c(cc(Cc3cc(ccn3)C(=O)NCc3c(C)cc(N)nc3C)cc2c1)C(O)=O
Show InChI InChI=1S/C26H25N5O3/c1-14-6-19-8-17(10-21(26(33)34)24(19)29-12-14)9-20-11-18(4-5-28-20)25(32)30-13-22-15(2)7-23(27)31-16(22)3/h4-8,10-12H,9,13H2,1-3H3,(H2,27,31)(H,30,32)(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))
BDBM283437
PNG
(N-((6-amino-2,4-dimethylpyridin-3-yl)methyl)- 2-((...)
Show SMILES Cc1cc(N)nc(C)c1CNC(=O)c1ccnc(Cc2cc(F)c3ncc(Cl)cc3c2)c1
Show InChI InChI=1S/C24H21ClFN5O/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,7,12H2,1-2H3,(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))
BDBM283439
PNG
(N-((6-amino-2-methylpyridin-3-yl)methyl)-2- ((3-ch...)
Show SMILES Cc1nc(N)ccc1CNC(=O)c1ccnc(Cc2cc(F)c3ncc(Cl)cc3c2)c1
Show InChI InChI=1S/C23H19ClFN5O/c1-13-16(2-3-21(26)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(25)8-14/h2-6,8-10,12H,7,11H2,1H3,(H2,26,30)(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))
BDBM283440
PNG
(US10023557, Example 92 | methyl 6-((4-(((6-amino-2...)
Show SMILES COC(=O)c1cc(Cc2cc(ccn2)C(=O)NCc2c(C)cc(N)nc2C)cc2cc(Cl)cnc12
Show InChI InChI=1S/C26H24ClN5O3/c1-14-6-23(28)32-15(2)22(14)13-31-25(33)17-4-5-29-20(11-17)8-16-7-18-10-19(27)12-30-24(18)21(9-16)26(34)35-3/h4-7,9-12H,8,13H2,1-3H3,(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))
BDBM283441
PNG
(6-((4-(((6-amino-2,4-dimethylpyridin-3- yl)methyl)...)
Show SMILES Cc1cc(N)nc(C)c1CNC(=O)c1ccnc(Cc2cc(C(O)=O)c3ncc(Cl)cc3c2)c1
Show InChI InChI=1S/C25H22ClN5O3/c1-13-5-22(27)31-14(2)21(13)12-30-24(32)16-3-4-28-19(10-16)7-15-6-17-9-18(26)11-29-23(17)20(8-15)25(33)34/h3-6,8-11H,7,12H2,1-2H3,(H2,27,31)(H,30,32)(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))
BDBM283445
PNG
(N-((6-amino-2-methylpyridin-3-yl)methyl)-2- ((3-ch...)
Show SMILES Cc1nc(N)ccc1CNC(=O)c1ccnc(Cc2cc(CO)c3ncc(Cl)cc3c2)c1
Show InChI InChI=1S/C24H22ClN5O2/c1-14-17(2-3-22(26)30-14)11-29-24(32)16-4-5-27-21(10-16)8-15-6-18-9-20(25)12-28-23(18)19(7-15)13-31/h2-7,9-10,12,31H,8,11,13H2,1H3,(H2,26,30)(H,29,32)
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))
BDBM283447
PNG
(6-((4-(((6-amino-2,4-dimethylpyridin-3- yl)methyl)...)
Show SMILES Cc1cc(N)nc(C)c1CNC(=O)c1ccnc(Cc2ccc3[n+]([O-])cc(Cl)cc3c2)c1
Show InChI InChI=1S/C24H22ClN5O2/c1-14-7-23(26)29-15(2)21(14)12-28-24(31)17-5-6-27-20(11-17)9-16-3-4-22-18(8-16)10-19(25)13-30(22)32/h3-8,10-11,13H,9,12H2,1-2H3,(H2,26,29)(H,28,31)
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))
BDBM283448
PNG
(N-((6-amino-2,4-dimethylpyridin-3-yl)methyl)- 2-((...)
Show SMILES Cc1cc(N)nc(C)c1CNC(=O)c1ccnc(Cc2cc(Cl)c3ncc(Cl)cc3c2)c1
Show InChI InChI=1S/C24H21Cl2N5O/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,7,12H2,1-2H3,(H2,27,31)(H,30,32)
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))
BDBM283449
PNG
(N-((6-amino-2-methylpyridin-3-yl)methyl)-2- ((3,8-...)
Show SMILES Cc1nc(N)ccc1CNC(=O)c1ccnc(Cc2cc(Cl)c3ncc(Cl)cc3c2)c1
Show InChI InChI=1S/C23H19Cl2N5O/c1-13-16(2-3-21(26)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(25)8-14/h2-6,8-10,12H,7,11H2,1H3,(H2,26,30)(H,29,31)
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))
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)
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))
BDBM283461
PNG
(N-((6-amino-2,4-dimethylpyridin-3-yl)methyl)- 2-((...)
Show SMILES Cc1ccc2cc(Cc3cc(ccn3)C(=O)NCc3c(C)cc(N)nc3C)ccc2n1
Show InChI InChI=1S/C25H25N5O/c1-15-10-24(26)30-17(3)22(15)14-28-25(31)20-8-9-27-21(13-20)12-18-5-7-23-19(11-18)6-4-16(2)29-23/h4-11,13H,12,14H2,1-3H3,(H2,26,30)(H,28,31)
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))
BDBM283462
PNG
(N-((6-amino-2,4-dimethylpyridin-3-yl)methyl)- 2-((...)
Show SMILES Cc1ccc2ncc(Cc3cc(ccn3)C(=O)NCc3c(C)cc(N)nc3C)cc2c1
Show InChI InChI=1S/C25H25N5O/c1-15-4-5-23-20(8-15)10-18(13-28-23)11-21-12-19(6-7-27-21)25(31)29-14-22-16(2)9-24(26)30-17(22)3/h4-10,12-13H,11,14H2,1-3H3,(H2,26,30)(H,29,31)
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))
BDBM283463
PNG
(N-((1-aminoisoquinolin-6-yl)methyl)-2-((6- methylq...)
Show SMILES Cc1ccc2ncc(Cc3cc(ccn3)C(=O)NCc3ccc4c(N)nccc4c3)cc2c1
Show InChI InChI=1S/C27H23N5O/c1-17-2-5-25-22(10-17)12-19(16-31-25)13-23-14-21(7-8-29-23)27(33)32-15-18-3-4-24-20(11-18)6-9-30-26(24)28/h2-12,14,16H,13,15H2,1H3,(H2,28,30)(H,32,33)
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))
BDBM283466
PNG
(N-((1-aminoisoquinolin-6-yl)methyl)-2-((6- fluoroq...)
Show SMILES Nc1nccc2cc(CNC(=O)c3ccnc(Cc4cnc5ccc(F)cc5c4)c3)ccc12
Show InChI InChI=1S/C26H20FN5O/c27-21-2-4-24-20(12-21)10-17(15-31-24)11-22-13-19(6-7-29-22)26(33)32-14-16-1-3-23-18(9-16)5-8-30-25(23)28/h1-10,12-13,15H,11,14H2,(H2,28,30)(H,32,33)
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))
BDBM283490
PNG
(N-((1-aminoisoquinolin-6-yl)methyl)-2-((3- methylq...)
Show SMILES Cc1cnc2ccc(Cc3cc(ccn3)C(=O)NCc3ccc4c(N)nccc4c3)cc2c1
Show InChI InChI=1S/C27H23N5O/c1-17-10-22-11-18(3-5-25(22)31-15-17)13-23-14-21(7-8-29-23)27(33)32-16-19-2-4-24-20(12-19)6-9-30-26(24)28/h2-12,14-15H,13,16H2,1H3,(H2,28,30)(H,32,33)
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))
BDBM283492
PNG
(N-((6-amino-2,4-dimethylpyridin-3-yl)methyl)- 2-((...)
Show SMILES Cc1cnc2ccc(Cc3cc(ccn3)C(=O)NCc3c(C)cc(N)nc3C)cc2c1
Show InChI InChI=1S/C25H25N5O/c1-15-8-20-10-18(4-5-23(20)28-13-15)11-21-12-19(6-7-27-21)25(31)29-14-22-16(2)9-24(26)30-17(22)3/h4-10,12-13H,11,14H2,1-3H3,(H2,26,30)(H,29,31)
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))
BDBM283493
PNG
(N-((6-amino-2,4-dimethylpyridin-3-yl)methyl)- 2-((...)
Show SMILES Cc1cc2cc(Cc3cc(ccn3)C(=O)NCc3c(C)cc(N)nc3C)ccc2cn1
Show InChI InChI=1S/C25H25N5O/c1-15-8-24(26)30-17(3)23(15)14-29-25(31)19-6-7-27-22(12-19)11-18-4-5-20-13-28-16(2)9-21(20)10-18/h4-10,12-13H,11,14H2,1-3H3,(H2,26,30)(H,29,31)
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))
BDBM283496
PNG
(N-((6-amino-2,4-dimethylpyridin-3-yl)methyl)- 2-((...)
Show SMILES Cc1cc(N)nc(C)c1CNC(=O)c1ccnc(Cc2cc3cc(Cl)cnc3cn2)c1
Show InChI InChI=1S/C23H21ClN6O/c1-13-5-22(25)30-14(2)20(13)11-29-23(31)15-3-4-26-18(7-15)9-19-8-16-6-17(24)10-28-21(16)12-27-19/h3-8,10,12H,9,11H2,1-2H3,(H2,25,30)(H,29,31)
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))
BDBM283497
PNG
(N-((6-amino-2-methylpyridin-3-yl)methyl)-2- ((3-ch...)
Show SMILES Cc1nc(N)ccc1CNC(=O)c1ccnc(Cc2cc3cc(Cl)cnc3cn2)c1
Show InChI InChI=1S/C22H19ClN6O/c1-13-15(2-3-21(24)29-13)10-28-22(30)14-4-5-25-18(7-14)9-19-8-16-6-17(23)11-27-20(16)12-26-19/h2-8,11-12H,9-10H2,1H3,(H2,24,29)(H,28,30)
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))
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)
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))
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)
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))
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)
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))
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)
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))
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)
PDB

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UniChem
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)
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))
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)
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))
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)
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))
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)
PDB

UniProtKB/SwissProt

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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
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