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Patent code US10301284

Compile Data Set for Download or QSAR
Found 141 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Plasma kallikrein


(Homo sapiens (Human))
BDBM392537
PNG
(N-((6-amino-2,4-dimethylpyridin-3- yl)methyl)-1-((...)
Show SMILES Cc1cc(N)nc(C)c1CNC(=O)c1nc(Cc2ccc3ncc(Cl)cc3c2)c2ccccn12
Show InChI InChI=1S/C26H23ClN6O/c1-15-9-24(28)31-16(2)20(15)14-30-26(34)25-32-22(23-5-3-4-8-33(23)25)11-17-6-7-21-18(10-17)12-19(27)13-29-21/h3-10,12-13H,11,14H2,1-2H3,(H2,28,31)(H,30,34)
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n/an/a<100n/an/an/an/an/an/a



LIFESCI PHARMACEUTICALS, INC.

US Patent


Assay Description
A 10 mM solution of the test compound was made in DMSO. This solution was serially diluted 1:5 in DMSO to yield 2000, 400, 80, 16, 3.2, 0.64, 0.128, ...


US Patent US10301284 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM392539
PNG
(N-((6-amino-2,4-dimethylpyridin-3- yl)methyl)-1-((...)
Show SMILES Cc1cc(N)nc(C)c1CNC(=O)c1cn(Cc2ccc3ncc(Cl)cc3c2)nc1C#N
Show InChI InChI=1S/C23H20ClN7O/c1-13-5-22(26)29-14(2)18(13)10-28-23(32)19-12-31(30-21(19)8-25)11-15-3-4-20-16(6-15)7-17(24)9-27-20/h3-7,9,12H,10-11H2,1-2H3,(H2,26,29)(H,28,32)
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n/an/a<100n/an/an/an/an/an/a



LIFESCI PHARMACEUTICALS, INC.

US Patent


Assay Description
A 10 mM solution of the test compound was made in DMSO. This solution was serially diluted 1:5 in DMSO to yield 2000, 400, 80, 16, 3.2, 0.64, 0.128, ...


US Patent US10301284 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM392542
PNG
(2-amino-N-((6-amino-2,4- dimethylpyridin-3-yl)meth...)
Show SMILES Cc1cc(N)nc(C)c1CNC(=O)c1cn(Cc2ccc3ncc(Cl)cc3c2)c(N)n1
Show InChI InChI=1S/C22H22ClN7O/c1-12-5-20(24)28-13(2)17(12)9-27-21(31)19-11-30(22(25)29-19)10-14-3-4-18-15(6-14)7-16(23)8-26-18/h3-8,11H,9-10H2,1-2H3,(H2,24,28)(H2,25,29)(H,27,31)
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n/an/a<100n/an/an/an/an/an/a



LIFESCI PHARMACEUTICALS, INC.

US Patent


Assay Description
A 10 mM solution of the test compound was made in DMSO. This solution was serially diluted 1:5 in DMSO to yield 2000, 400, 80, 16, 3.2, 0.64, 0.128, ...


US Patent US10301284 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM392550
PNG
(N-((6-amino-2,4-dimethylpyridin-3- yl)methyl)-1-((...)
Show SMILES Cc1cc(N)nc(C)c1CNC(=O)c1nn(Cc2ccc3ncc(Cl)cc3c2)cc1C#N
Show InChI InChI=1S/C23H20ClN7O/c1-13-5-21(26)29-14(2)19(13)10-28-23(32)22-17(8-25)12-31(30-22)11-15-3-4-20-16(6-15)7-18(24)9-27-20/h3-7,9,12H,10-11H2,1-2H3,(H2,26,29)(H,28,32)
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n/an/a<100n/an/an/an/an/an/a



LIFESCI PHARMACEUTICALS, INC.

US Patent


Assay Description
A 10 mM solution of the test compound was made in DMSO. This solution was serially diluted 1:5 in DMSO to yield 2000, 400, 80, 16, 3.2, 0.64, 0.128, ...


US Patent US10301284 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM392572
PNG
(N-((6-amino-2,4-dimethylpyridin-3- yl)methyl)-1-((...)
Show SMILES Cc1cc(N)nc(C)c1CNC(=O)c1cn(Cc2cc(c3ncc(Cl)cc3c2)C(C)(C)O)nc1C#N
Show InChI InChI=1S/C26H26ClN7O2/c1-14-5-23(29)32-15(2)19(14)11-31-25(35)20-13-34(33-22(20)9-28)12-16-6-17-8-18(27)10-30-24(17)21(7-16)26(3,4)36/h5-8,10,13,36H,11-12H2,1-4H3,(H2,29,32)(H,31,35)
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n/an/a<100n/an/an/an/an/an/a



LIFESCI PHARMACEUTICALS, INC.

US Patent


Assay Description
A 10 mM solution of the test compound was made in DMSO. This solution was serially diluted 1:5 in DMSO to yield 2000, 400, 80, 16, 3.2, 0.64, 0.128, ...


US Patent US10301284 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM392578
PNG
(N-((6-amino-2,4-dimethylpyridin-3- yl)methyl)-3-cy...)
Show SMILES Cc1cc(N)nc(C)c1CNC(=O)c1cn(Cc2ccc3ncc(cc3c2)C2CC2)nc1C#N
Show InChI InChI=1S/C26H25N7O/c1-15-7-25(28)31-16(2)21(15)12-30-26(34)22-14-33(32-24(22)10-27)13-17-3-6-23-19(8-17)9-20(11-29-23)18-4-5-18/h3,6-9,11,14,18H,4-5,12-13H2,1-2H3,(H2,28,31)(H,30,34)
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n/an/a<100n/an/an/an/an/an/a



LIFESCI PHARMACEUTICALS, INC.

US Patent


Assay Description
A 10 mM solution of the test compound was made in DMSO. This solution was serially diluted 1:5 in DMSO to yield 2000, 400, 80, 16, 3.2, 0.64, 0.128, ...


US Patent US10301284 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM392591
PNG
(6-((4-(((6-amino-2,4-dimethylpyridin- 3-yl)methyl)...)
Show SMILES Cc1cnc2c(cc(Cn3cc(C(=O)NCc4c(C)cc(N)nc4C)c(n3)C#N)cc2c1)C(N)=O
Show InChI InChI=1S/C25H24N8O2/c1-13-4-17-6-16(7-18(24(28)34)23(17)29-9-13)11-33-12-20(21(8-26)32-33)25(35)30-10-19-14(2)5-22(27)31-15(19)3/h4-7,9,12H,10-11H2,1-3H3,(H2,27,31)(H2,28,34)(H,30,35)
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n/an/a<100n/an/an/an/an/an/a



LIFESCI PHARMACEUTICALS, INC.

US Patent


Assay Description
A 10 mM solution of the test compound was made in DMSO. This solution was serially diluted 1:5 in DMSO to yield 2000, 400, 80, 16, 3.2, 0.64, 0.128, ...


US Patent US10301284 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM392597
PNG
(N-((6-amino-2-methylpyridin-3- yl)methyl)-5-((3-ch...)
Show SMILES Cc1nc(N)ccc1CNC(=O)c1ncc(Cc2ccc3ncc(Cl)cc3c2)o1
Show InChI InChI=1S/C21H18ClN5O2/c1-12-14(3-5-19(23)27-12)9-25-20(28)21-26-11-17(29-21)7-13-2-4-18-15(6-13)8-16(22)10-24-18/h2-6,8,10-11H,7,9H2,1H3,(H2,23,27)(H,25,28)
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n/an/a<100n/an/an/an/an/an/a



LIFESCI PHARMACEUTICALS, INC.

US Patent


Assay Description
A 10 mM solution of the test compound was made in DMSO. This solution was serially diluted 1:5 in DMSO to yield 2000, 400, 80, 16, 3.2, 0.64, 0.128, ...


US Patent US10301284 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM392602
PNG
(N-((6-amino-2,4-dimethylpyridin-3- yl)methyl)-2-((...)
Show SMILES Cc1cc(N)nc(C)c1CNC(=O)c1cnc(Cc2ccc3ncc(Cl)cc3c2)o1
Show InChI InChI=1S/C22H20ClN5O2/c1-12-5-20(24)28-13(2)17(12)10-27-22(29)19-11-26-21(30-19)7-14-3-4-18-15(6-14)8-16(23)9-25-18/h3-6,8-9,11H,7,10H2,1-2H3,(H2,24,28)(H,27,29)
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n/an/a<100n/an/an/an/an/an/a



LIFESCI PHARMACEUTICALS, INC.

US Patent


Assay Description
A 10 mM solution of the test compound was made in DMSO. This solution was serially diluted 1:5 in DMSO to yield 2000, 400, 80, 16, 3.2, 0.64, 0.128, ...


US Patent US10301284 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM392628
PNG
(N-((6-amino-2,4-dimethylpyridin-3- yl)methyl)-2-((...)
Show SMILES Cc1cc(N)nc(C)c1CNC(=O)c1nn(Cc2ccc3ncc(Cl)cc3c2)nc1C(F)(F)F
Show InChI InChI=1S/C22H19ClF3N7O/c1-11-5-18(27)30-12(2)16(11)9-29-21(34)19-20(22(24,25)26)32-33(31-19)10-13-3-4-17-14(6-13)7-15(23)8-28-17/h3-8H,9-10H2,1-2H3,(H2,27,30)(H,29,34)
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n/an/a<100n/an/an/an/an/an/a



LIFESCI PHARMACEUTICALS, INC.

US Patent


Assay Description
A 10 mM solution of the test compound was made in DMSO. This solution was serially diluted 1:5 in DMSO to yield 2000, 400, 80, 16, 3.2, 0.64, 0.128, ...


US Patent US10301284 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM392634
PNG
(N-((6-amino-2,4-dimethylpyridin-3- yl)methyl)-1-((...)
Show SMILES COc1cc2c(cn(Cc3ccc4ncc(Cl)cc4c3)c2cn1)C(=O)NCc1c(C)cc(N)nc1C
Show InChI InChI=1S/C27H25ClN6O2/c1-15-6-25(29)33-16(2)21(15)11-32-27(35)22-14-34(24-12-31-26(36-3)9-20(22)24)13-17-4-5-23-18(7-17)8-19(28)10-30-23/h4-10,12,14H,11,13H2,1-3H3,(H2,29,33)(H,32,35)
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n/an/a<100n/an/an/an/an/an/a



LIFESCI PHARMACEUTICALS, INC.

US Patent


Assay Description
A 10 mM solution of the test compound was made in DMSO. This solution was serially diluted 1:5 in DMSO to yield 2000, 400, 80, 16, 3.2, 0.64, 0.128, ...


US Patent US10301284 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM392643
PNG
(N-((6-amino-2,4-dimethylpyridin-3- yl)methyl)-1-((...)
Show SMILES Cc1cc(N)nc(C)c1CNC(=O)c1nn(Cc2ccc3ncc(Cl)cc3c2)c2cnc(cc12)C#N
Show InChI InChI=1S/C26H21ClN8O/c1-14-5-24(29)33-15(2)21(14)11-32-26(36)25-20-8-19(9-28)30-12-23(20)35(34-25)13-16-3-4-22-17(6-16)7-18(27)10-31-22/h3-8,10,12H,11,13H2,1-2H3,(H2,29,33)(H,32,36)
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n/an/a<100n/an/an/an/an/an/a



LIFESCI PHARMACEUTICALS, INC.

US Patent


Assay Description
A 10 mM solution of the test compound was made in DMSO. This solution was serially diluted 1:5 in DMSO to yield 2000, 400, 80, 16, 3.2, 0.64, 0.128, ...


US Patent US10301284 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM392647
PNG
(N-((6-amino-2,4-dimethylpyridin-3- yl)methyl)-1-((...)
Show SMILES Cc1cc(N)nc(C)c1CNC(=O)c1cn(Cc2ccc3ncc(Cl)cc3c2)c2cnc(cc12)C#N
Show InChI InChI=1S/C27H22ClN7O/c1-15-5-26(30)34-16(2)22(15)11-33-27(36)23-14-35(25-12-31-20(9-29)8-21(23)25)13-17-3-4-24-18(6-17)7-19(28)10-32-24/h3-8,10,12,14H,11,13H2,1-2H3,(H2,30,34)(H,33,36)
PDB

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



LIFESCI PHARMACEUTICALS, INC.

US Patent


Assay Description
A 10 mM solution of the test compound was made in DMSO. This solution was serially diluted 1:5 in DMSO to yield 2000, 400, 80, 16, 3.2, 0.64, 0.128, ...


US Patent US10301284 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM392652
PNG
(N-((6-amino-2-methylpyridin-3- yl)methyl)-1-((3-ch...)
Show SMILES Cc1nc(N)ccc1CNC(=O)c1nn(Cc2ccc3ncc(Cl)cc3c2)c2ccc(=O)[nH]c12
Show InChI InChI=1S/C24H20ClN7O2/c1-13-15(3-6-20(26)29-13)10-28-24(34)23-22-19(5-7-21(33)30-22)32(31-23)12-14-2-4-18-16(8-14)9-17(25)11-27-18/h2-9,11H,10,12H2,1H3,(H2,26,29)(H,28,34)(H,30,33)
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n/an/a<100n/an/an/an/an/an/a



LIFESCI PHARMACEUTICALS, INC.

US Patent


Assay Description
A 10 mM solution of the test compound was made in DMSO. This solution was serially diluted 1:5 in DMSO to yield 2000, 400, 80, 16, 3.2, 0.64, 0.128, ...


US Patent US10301284 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM392525
PNG
(N-((6-amino-2,4-dimethylpyridin-3- yl)methyl)-1-((...)
Show SMILES Cc1cc(N)nc(C)c1CNC(=O)c1cn(Cc2ccc3ncc(Cl)cc3c2)c2ccccc12
Show InChI InChI=1S/C27H24ClN5O/c1-16-9-26(29)32-17(2)22(16)13-31-27(34)23-15-33(25-6-4-3-5-21(23)25)14-18-7-8-24-19(10-18)11-20(28)12-30-24/h3-12,15H,13-14H2,1-2H3,(H2,29,32)(H,31,34)
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n/an/a<100n/an/an/an/an/an/a



LIFESCI PHARMACEUTICALS, INC.

US Patent


Assay Description
A 10 mM solution of the test compound was made in DMSO. This solution was serially diluted 1:5 in DMSO to yield 2000, 400, 80, 16, 3.2, 0.64, 0.128, ...


US Patent US10301284 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM392529
PNG
(N-((6-amino-2,4-dimethylpyridin-3- yl)methyl)-1-((...)
Show SMILES Cc1cc(N)nc(C)c1CNC(=O)c1cn(Cc2ccc3ncc(Cl)cc3c2)nc1C(F)(F)F
Show InChI InChI=1S/C23H20ClF3N6O/c1-12-5-20(28)31-13(2)17(12)9-30-22(34)18-11-33(32-21(18)23(25,26)27)10-14-3-4-19-15(6-14)7-16(24)8-29-19/h3-8,11H,9-10H2,1-2H3,(H2,28,31)(H,30,34)
PDB

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



LIFESCI PHARMACEUTICALS, INC.

US Patent


Assay Description
A 10 mM solution of the test compound was made in DMSO. This solution was serially diluted 1:5 in DMSO to yield 2000, 400, 80, 16, 3.2, 0.64, 0.128, ...


US Patent US10301284 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM392530
PNG
(N-((6-amino-2,4-dimethylpyridin-3- yl)methyl)-1-((...)
Show SMILES Cc1cc(N)nc(C)c1CNC(=O)c1cn(Cc2ccc3ncc(Cl)cc3c2)c2cnccc12
Show InChI InChI=1S/C26H23ClN6O/c1-15-7-25(28)32-16(2)21(15)11-31-26(34)22-14-33(24-12-29-6-5-20(22)24)13-17-3-4-23-18(8-17)9-19(27)10-30-23/h3-10,12,14H,11,13H2,1-2H3,(H2,28,32)(H,31,34)
PDB

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



LIFESCI PHARMACEUTICALS, INC.

US Patent


Assay Description
A 10 mM solution of the test compound was made in DMSO. This solution was serially diluted 1:5 in DMSO to yield 2000, 400, 80, 16, 3.2, 0.64, 0.128, ...


US Patent US10301284 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM392531
PNG
(3-amino-N-((6-amino-2,4- dimethylpyridin-3-yl)meth...)
Show SMILES Cc1cc(N)nc(C)c1CNC(=O)c1cn(Cc2ccc3ncc(Cl)cc3c2)nc1N
Show InChI InChI=1S/C22H22ClN7O/c1-12-5-20(24)28-13(2)17(12)9-27-22(31)18-11-30(29-21(18)25)10-14-3-4-19-15(6-14)7-16(23)8-26-19/h3-8,11H,9-10H2,1-2H3,(H2,24,28)(H2,25,29)(H,27,31)
PDB

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



LIFESCI PHARMACEUTICALS, INC.

US Patent


Assay Description
A 10 mM solution of the test compound was made in DMSO. This solution was serially diluted 1:5 in DMSO to yield 2000, 400, 80, 16, 3.2, 0.64, 0.128, ...


US Patent US10301284 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM392574
PNG
(N-((6-amino-2,4-dimethylpyridin-3- yl)methyl)-1-((...)
Show SMILES Cc1cc(N)nc(C)c1CNC(=O)c1cn(Cc2cc(c3ncc(Cl)cc3c2)S(N)(=O)=O)nc1C#N
Show InChI InChI=1S/C23H21ClN8O3S/c1-12-3-21(26)30-13(2)17(12)9-29-23(33)18-11-32(31-19(18)7-25)10-14-4-15-6-16(24)8-28-22(15)20(5-14)36(27,34)35/h3-6,8,11H,9-10H2,1-2H3,(H2,26,30)(H,29,33)(H2,27,34,35)
PDB

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



LIFESCI PHARMACEUTICALS, INC.

US Patent


Assay Description
A 10 mM solution of the test compound was made in DMSO. This solution was serially diluted 1:5 in DMSO to yield 2000, 400, 80, 16, 3.2, 0.64, 0.128, ...


US Patent US10301284 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM392590
PNG
(N-((6-amino-2-methylpyridin-3- yl)methyl)-1-((3-ch...)
Show SMILES Cc1nc(N)ccc1CNC(=O)c1cn(Cc2ccc3ncc(Cl)cc3c2)nc1C#N
Show InChI InChI=1S/C22H18ClN7O/c1-13-15(3-5-21(25)28-13)9-27-22(31)18-12-30(29-20(18)8-24)11-14-2-4-19-16(6-14)7-17(23)10-26-19/h2-7,10,12H,9,11H2,1H3,(H2,25,28)(H,27,31)
PDB

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



LIFESCI PHARMACEUTICALS, INC.

US Patent


Assay Description
A 10 mM solution of the test compound was made in DMSO. This solution was serially diluted 1:5 in DMSO to yield 2000, 400, 80, 16, 3.2, 0.64, 0.128, ...


US Patent US10301284 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM392595
PNG
(N-((6-amino-2-methylpyridin-3- yl)methyl)-3-cyano-...)
Show SMILES Cc1cnc2ccc(Cn3cc(C(=O)NCc4ccc(N)nc4C)c(n3)C#N)cc2c1
Show InChI InChI=1S/C23H21N7O/c1-14-7-18-8-16(3-5-20(18)26-10-14)12-30-13-19(21(9-24)29-30)23(31)27-11-17-4-6-22(25)28-15(17)2/h3-8,10,13H,11-12H2,1-2H3,(H2,25,28)(H,27,31)
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n/an/a<100n/an/an/an/an/an/a



LIFESCI PHARMACEUTICALS, INC.

US Patent


Assay Description
A 10 mM solution of the test compound was made in DMSO. This solution was serially diluted 1:5 in DMSO to yield 2000, 400, 80, 16, 3.2, 0.64, 0.128, ...


US Patent US10301284 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM392635
PNG
(N-((6-amino-2,4-dimethylpyridin-3- yl)methyl)-1-((...)
Show SMILES COc1cc2c(nn(Cc3ccc4ncc(Cl)cc4c3)c2cn1)C(=O)NCc1c(C)cc(N)nc1C
Show InChI InChI=1S/C26H24ClN7O2/c1-14-6-23(28)32-15(2)20(14)11-31-26(35)25-19-9-24(36-3)30-12-22(19)34(33-25)13-16-4-5-21-17(7-16)8-18(27)10-29-21/h4-10,12H,11,13H2,1-3H3,(H2,28,32)(H,31,35)
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n/an/a<100n/an/an/an/an/an/a



LIFESCI PHARMACEUTICALS, INC.

US Patent


Assay Description
A 10 mM solution of the test compound was made in DMSO. This solution was serially diluted 1:5 in DMSO to yield 2000, 400, 80, 16, 3.2, 0.64, 0.128, ...


US Patent US10301284 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM392640
PNG
(N-((6-amino-2,4-dimethylpyridin-3- yl)methyl)-1-((...)
Show SMILES Cc1cc(N)nc(C)c1CNC(=O)c1cn(Cc2ccc3ncc(Cl)cc3c2)c2nccc(C#N)c12
Show InChI InChI=1S/C27H22ClN7O/c1-15-7-24(30)34-16(2)21(15)12-33-27(36)22-14-35(26-25(22)18(10-29)5-6-31-26)13-17-3-4-23-19(8-17)9-20(28)11-32-23/h3-9,11,14H,12-13H2,1-2H3,(H2,30,34)(H,33,36)
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n/an/a<100n/an/an/an/an/an/a



LIFESCI PHARMACEUTICALS, INC.

US Patent


Assay Description
A 10 mM solution of the test compound was made in DMSO. This solution was serially diluted 1:5 in DMSO to yield 2000, 400, 80, 16, 3.2, 0.64, 0.128, ...


US Patent US10301284 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM392646
PNG
(N-((6-amino-2,4-dimethylpyridin-3- yl)methyl)-1-((...)
Show SMILES Cc1cc(N)nc(C)c1CNC(=O)c1cn(Cc2ccc3ncc(Cl)cc3c2)c2ccnc(C#N)c12
Show InChI InChI=1S/C27H22ClN7O/c1-15-7-25(30)34-16(2)20(15)12-33-27(36)21-14-35(24-5-6-31-23(10-29)26(21)24)13-17-3-4-22-18(8-17)9-19(28)11-32-22/h3-9,11,14H,12-13H2,1-2H3,(H2,30,34)(H,33,36)
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n/an/a<100n/an/an/an/an/an/a



LIFESCI PHARMACEUTICALS, INC.

US Patent


Assay Description
A 10 mM solution of the test compound was made in DMSO. This solution was serially diluted 1:5 in DMSO to yield 2000, 400, 80, 16, 3.2, 0.64, 0.128, ...


US Patent US10301284 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM392524
PNG
(N-((6-amino-2,4-dimethylpyridin-3- yl)methyl)-1-((...)
Show SMILES Cc1cc(N)nc(C)c1CNC(=O)c1cn(Cc2ccc3ncc(Cl)cc3c2)nn1
Show InChI InChI=1S/C21H20ClN7O/c1-12-5-20(23)26-13(2)17(12)9-25-21(30)19-11-29(28-27-19)10-14-3-4-18-15(6-14)7-16(22)8-24-18/h3-8,11H,9-10H2,1-2H3,(H2,23,26)(H,25,30)
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n/an/a<100n/an/an/an/an/an/a



LIFESCI PHARMACEUTICALS, INC.

US Patent


Assay Description
A 10 mM solution of the test compound was made in DMSO. This solution was serially diluted 1:5 in DMSO to yield 2000, 400, 80, 16, 3.2, 0.64, 0.128, ...


US Patent US10301284 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM392526
PNG
(N-((6-amino-2,4-dimethylpyridin-3- yl)methyl)-1-((...)
Show SMILES Cc1cc(N)nc(C)c1CNC(=O)c1cn(Cc2ccc3ncc(Cl)cc3c2)c2ncccc12
Show InChI InChI=1S/C26H23ClN6O/c1-15-8-24(28)32-16(2)21(15)12-31-26(34)22-14-33(25-20(22)4-3-7-29-25)13-17-5-6-23-18(9-17)10-19(27)11-30-23/h3-11,14H,12-13H2,1-2H3,(H2,28,32)(H,31,34)
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n/an/a<100n/an/an/an/an/an/a



LIFESCI PHARMACEUTICALS, INC.

US Patent


Assay Description
A 10 mM solution of the test compound was made in DMSO. This solution was serially diluted 1:5 in DMSO to yield 2000, 400, 80, 16, 3.2, 0.64, 0.128, ...


US Patent US10301284 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM392544
PNG
(N-((6-amino-2,4-dimethylpyridin-3- yl)methyl)-5-((...)
Show SMILES Cc1cc(N)nc(C)c1CNC(=O)c1nnc(Cc2ccc3ncc(Cl)cc3c2)o1
Show InChI InChI=1S/C21H19ClN6O2/c1-11-5-18(23)26-12(2)16(11)10-25-20(29)21-28-27-19(30-21)7-13-3-4-17-14(6-13)8-15(22)9-24-17/h3-6,8-9H,7,10H2,1-2H3,(H2,23,26)(H,25,29)
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n/an/a<100n/an/an/an/an/an/a



LIFESCI PHARMACEUTICALS, INC.

US Patent


Assay Description
A 10 mM solution of the test compound was made in DMSO. This solution was serially diluted 1:5 in DMSO to yield 2000, 400, 80, 16, 3.2, 0.64, 0.128, ...


US Patent US10301284 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM392567
PNG
(N-((3-chloro-6-fluoro-1H-indol-5- yl)methyl)-1-((3...)
Show SMILES Fc1cc2[nH]cc(Cl)c2cc1CNC(=O)c1cn(Cc2cc(F)c3ncc(Cl)cc3c2)nc1C#N
Show InChI InChI=1S/C24H14Cl2F2N6O/c25-15-3-13-1-12(2-20(28)23(13)31-8-15)10-34-11-17(22(6-29)33-34)24(35)32-7-14-4-16-18(26)9-30-21(16)5-19(14)27/h1-5,8-9,11,30H,7,10H2,(H,32,35)
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n/an/a<100n/an/an/an/an/an/a



LIFESCI PHARMACEUTICALS, INC.

US Patent


Assay Description
A 10 mM solution of the test compound was made in DMSO. This solution was serially diluted 1:5 in DMSO to yield 2000, 400, 80, 16, 3.2, 0.64, 0.128, ...


US Patent US10301284 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM392573
PNG
(N-((1-aminoisoquinolin-6-yl)methyl)- 1-((3-chloro-...)
Show SMILES CC(C)(O)c1cc(Cn2cc(C(=O)NCc3ccc4c(N)nccc4c3)c(n2)C#N)cc2cc(Cl)cnc12
Show InChI InChI=1S/C28H24ClN7O2/c1-28(2,38)23-9-17(8-19-10-20(29)13-33-25(19)23)14-36-15-22(24(11-30)35-36)27(37)34-12-16-3-4-21-18(7-16)5-6-32-26(21)31/h3-10,13,15,38H,12,14H2,1-2H3,(H2,31,32)(H,34,37)
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n/an/a<100n/an/an/an/an/an/a



LIFESCI PHARMACEUTICALS, INC.

US Patent


Assay Description
A 10 mM solution of the test compound was made in DMSO. This solution was serially diluted 1:5 in DMSO to yield 2000, 400, 80, 16, 3.2, 0.64, 0.128, ...


US Patent US10301284 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM392582
PNG
(N-((6-amino-2,4-dimethylpyridin-3- yl)methyl)-1-((...)
Show SMILES Cc1cc(N)nc(C)c1CNC(=O)c1cn(Cc2cc(C#N)c3ncc(Cl)cc3c2)nc1C#N
Show InChI InChI=1S/C24H19ClN8O/c1-13-3-22(28)31-14(2)19(13)10-30-24(34)20-12-33(32-21(20)8-27)11-15-4-16-6-18(25)9-29-23(16)17(5-15)7-26/h3-6,9,12H,10-11H2,1-2H3,(H2,28,31)(H,30,34)
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n/an/a<100n/an/an/an/an/an/a



LIFESCI PHARMACEUTICALS, INC.

US Patent


Assay Description
A 10 mM solution of the test compound was made in DMSO. This solution was serially diluted 1:5 in DMSO to yield 2000, 400, 80, 16, 3.2, 0.64, 0.128, ...


US Patent US10301284 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM392585
PNG
(6-((4-(((6-amino-2,4-dimethylpyridin- 3-yl)methyl)...)
Show SMILES Cc1cc(N)nc(C)c1CNC(=O)c1cn(Cc2cc(C(N)=O)c3ncc(Cl)cc3c2)nc1C#N
Show InChI InChI=1S/C24H21ClN8O2/c1-12-3-21(27)31-13(2)18(12)9-30-24(35)19-11-33(32-20(19)7-26)10-14-4-15-6-16(25)8-29-22(15)17(5-14)23(28)34/h3-6,8,11H,9-10H2,1-2H3,(H2,27,31)(H2,28,34)(H,30,35)
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n/an/a<100n/an/an/an/an/an/a



LIFESCI PHARMACEUTICALS, INC.

US Patent


Assay Description
A 10 mM solution of the test compound was made in DMSO. This solution was serially diluted 1:5 in DMSO to yield 2000, 400, 80, 16, 3.2, 0.64, 0.128, ...


US Patent US10301284 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM392608
PNG
(N-((6-amino-2,4-dimethylpyridin-3- yl)methyl)-2-((...)
Show SMILES Cc1cc(N)nc(C)c1CNC(=O)c1nn(Cc2ccc3ncc(Cl)cc3c2)nc1C#N
Show InChI InChI=1S/C22H19ClN8O/c1-12-5-20(25)28-13(2)17(12)10-27-22(32)21-19(8-24)29-31(30-21)11-14-3-4-18-15(6-14)7-16(23)9-26-18/h3-7,9H,10-11H2,1-2H3,(H2,25,28)(H,27,32)
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n/an/a<100n/an/an/an/an/an/a



LIFESCI PHARMACEUTICALS, INC.

US Patent


Assay Description
A 10 mM solution of the test compound was made in DMSO. This solution was serially diluted 1:5 in DMSO to yield 2000, 400, 80, 16, 3.2, 0.64, 0.128, ...


US Patent US10301284 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM392630
PNG
(N-((6-amino-2,4-dimethylpyridin-3- yl)methyl)-5-ch...)
Show SMILES Cc1cc(N)nc(C)c1CNC(=O)c1cn(Cc2ccc3ncc(Cl)cc3c2)c2cnc(Cl)cc12
Show InChI InChI=1S/C26H22Cl2N6O/c1-14-5-25(29)33-15(2)20(14)10-32-26(35)21-13-34(23-11-31-24(28)8-19(21)23)12-16-3-4-22-17(6-16)7-18(27)9-30-22/h3-9,11,13H,10,12H2,1-2H3,(H2,29,33)(H,32,35)
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LIFESCI PHARMACEUTICALS, INC.

US Patent


Assay Description
A 10 mM solution of the test compound was made in DMSO. This solution was serially diluted 1:5 in DMSO to yield 2000, 400, 80, 16, 3.2, 0.64, 0.128, ...


US Patent US10301284 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM392519
PNG
(N-((6-amino-2,4-dimethylpyridin-3- yl)methyl)-2-((...)
Show SMILES Cc1cc(N)nc(C)c1CNC(=O)c1cnc(Cc2ccc3ncc(Cl)cc3c2)[nH]1
Show InChI InChI=1S/C22H21ClN6O/c1-12-5-20(24)28-13(2)17(12)10-27-22(30)19-11-26-21(29-19)7-14-3-4-18-15(6-14)8-16(23)9-25-18/h3-6,8-9,11H,7,10H2,1-2H3,(H2,24,28)(H,26,29)(H,27,30)
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LIFESCI PHARMACEUTICALS, INC.

US Patent


Assay Description
A 10 mM solution of the test compound was made in DMSO. This solution was serially diluted 1:5 in DMSO to yield 2000, 400, 80, 16, 3.2, 0.64, 0.128, ...


US Patent US10301284 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM392522
PNG
(N-((6-amino-2,4-dimethylpyridin-3- yl)methyl)-1-((...)
Show SMILES Cc1cc(N)nc(C)c1CNC(=O)c1cn(Cc2ccc3ncc(Cl)cc3c2)c2cccnc12
Show InChI InChI=1S/C26H23ClN6O/c1-15-8-24(28)32-16(2)20(15)12-31-26(34)21-14-33(23-4-3-7-29-25(21)23)13-17-5-6-22-18(9-17)10-19(27)11-30-22/h3-11,14H,12-13H2,1-2H3,(H2,28,32)(H,31,34)
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LIFESCI PHARMACEUTICALS, INC.

US Patent


Assay Description
A 10 mM solution of the test compound was made in DMSO. This solution was serially diluted 1:5 in DMSO to yield 2000, 400, 80, 16, 3.2, 0.64, 0.128, ...


US Patent US10301284 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM392533
PNG
(4-acetamido-N-((6-amino-2,4- dimethylpyridin-3-yl)...)
Show SMILES CC(=O)Nc1cn(Cc2ccc3ncc(Cl)cc3c2)nc1C(=O)NCc1c(C)cc(N)nc1C
Show InChI InChI=1S/C24H24ClN7O2/c1-13-6-22(26)29-14(2)19(13)10-28-24(34)23-21(30-15(3)33)12-32(31-23)11-16-4-5-20-17(7-16)8-18(25)9-27-20/h4-9,12H,10-11H2,1-3H3,(H2,26,29)(H,28,34)(H,30,33)
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LIFESCI PHARMACEUTICALS, INC.

US Patent


Assay Description
A 10 mM solution of the test compound was made in DMSO. This solution was serially diluted 1:5 in DMSO to yield 2000, 400, 80, 16, 3.2, 0.64, 0.128, ...


US Patent US10301284 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM392535
PNG
(N-((6-amino-2,4-dimethylpyridin-3- yl)methyl)-2-((...)
Show SMILES Cc1cc(N)nc(C)c1CNC(=O)c1cnn(Cc2ccc3ncc(Cl)cc3c2)n1
Show InChI InChI=1S/C21H20ClN7O/c1-12-5-20(23)27-13(2)17(12)9-25-21(30)19-10-26-29(28-19)11-14-3-4-18-15(6-14)7-16(22)8-24-18/h3-8,10H,9,11H2,1-2H3,(H2,23,27)(H,25,30)
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LIFESCI PHARMACEUTICALS, INC.

US Patent


Assay Description
A 10 mM solution of the test compound was made in DMSO. This solution was serially diluted 1:5 in DMSO to yield 2000, 400, 80, 16, 3.2, 0.64, 0.128, ...


US Patent US10301284 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM392543
PNG
(N-((6-amino-2,4-dimethylpyridin-3- yl)methyl)-2-((...)
Show SMILES Cc1cc(N)nc(C)c1CNC(=O)c1coc(Cc2ccc3ncc(Cl)cc3c2)n1
Show InChI InChI=1S/C22H20ClN5O2/c1-12-5-20(24)27-13(2)17(12)10-26-22(29)19-11-30-21(28-19)7-14-3-4-18-15(6-14)8-16(23)9-25-18/h3-6,8-9,11H,7,10H2,1-2H3,(H2,24,27)(H,26,29)
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LIFESCI PHARMACEUTICALS, INC.

US Patent


Assay Description
A 10 mM solution of the test compound was made in DMSO. This solution was serially diluted 1:5 in DMSO to yield 2000, 400, 80, 16, 3.2, 0.64, 0.128, ...


US Patent US10301284 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM392570
PNG
(N-((3-chloro-1H-pyrrolo[2,3- b]pyridin-5-yl)methyl...)
Show SMILES Fc1cc(Cn2cc(C(=O)NCc3cnc4[nH]cc(Cl)c4c3)c(n2)C#N)cc2cc(Cl)cnc12
Show InChI InChI=1S/C23H14Cl2FN7O/c24-15-4-14-1-12(3-19(26)21(14)28-8-15)10-33-11-17(20(5-27)32-33)23(34)31-7-13-2-16-18(25)9-30-22(16)29-6-13/h1-4,6,8-9,11H,7,10H2,(H,29,30)(H,31,34)
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n/an/a<100n/an/an/an/an/an/a



LIFESCI PHARMACEUTICALS, INC.

US Patent


Assay Description
A 10 mM solution of the test compound was made in DMSO. This solution was serially diluted 1:5 in DMSO to yield 2000, 400, 80, 16, 3.2, 0.64, 0.128, ...


US Patent US10301284 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM392579
PNG
(N-((6-amino-2-methylpyridin-3- yl)methyl)-3-cyano-...)
Show SMILES Cc1nc(N)ccc1CNC(=O)c1cn(Cc2ccc3ncc(cc3c2)C2CC2)nc1C#N
Show InChI InChI=1S/C25H23N7O/c1-15-18(5-7-24(27)30-15)11-29-25(33)21-14-32(31-23(21)10-26)13-16-2-6-22-19(8-16)9-20(12-28-22)17-3-4-17/h2,5-9,12,14,17H,3-4,11,13H2,1H3,(H2,27,30)(H,29,33)
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LIFESCI PHARMACEUTICALS, INC.

US Patent


Assay Description
A 10 mM solution of the test compound was made in DMSO. This solution was serially diluted 1:5 in DMSO to yield 2000, 400, 80, 16, 3.2, 0.64, 0.128, ...


US Patent US10301284 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM392594
PNG
(N-((6-amino-2,4-dimethylpyridin-3- yl)methyl)-3-cy...)
Show SMILES Cc1cnc2ccc(Cn3cc(C(=O)NCc4c(C)cc(N)nc4C)c(n3)C#N)cc2c1
Show InChI InChI=1S/C24H23N7O/c1-14-6-18-8-17(4-5-21(18)27-10-14)12-31-13-20(22(9-25)30-31)24(32)28-11-19-15(2)7-23(26)29-16(19)3/h4-8,10,13H,11-12H2,1-3H3,(H2,26,29)(H,28,32)
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n/an/a<100n/an/an/an/an/an/a



LIFESCI PHARMACEUTICALS, INC.

US Patent


Assay Description
A 10 mM solution of the test compound was made in DMSO. This solution was serially diluted 1:5 in DMSO to yield 2000, 400, 80, 16, 3.2, 0.64, 0.128, ...


US Patent US10301284 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM392604
PNG
(N-((6-amino-2,4-dimethylpyridin-3- yl)methyl)-1-((...)
Show SMILES Cc1cc(N)nc(C)c1CNC(=O)c1cn(Cc2ccc3ncc(Cl)cc3c2)nc1C(F)F
Show InChI InChI=1S/C23H21ClF2N6O/c1-12-5-20(27)30-13(2)17(12)9-29-23(33)18-11-32(31-21(18)22(25)26)10-14-3-4-19-15(6-14)7-16(24)8-28-19/h3-8,11,22H,9-10H2,1-2H3,(H2,27,30)(H,29,33)
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n/an/a<100n/an/an/an/an/an/a



LIFESCI PHARMACEUTICALS, INC.

US Patent


Assay Description
A 10 mM solution of the test compound was made in DMSO. This solution was serially diluted 1:5 in DMSO to yield 2000, 400, 80, 16, 3.2, 0.64, 0.128, ...


US Patent US10301284 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM392611
PNG
(N-((6-amino-2,4-dimethylpyridin-3- yl)methyl)-5-((...)
Show SMILES Cc1cc(N)nc(C)c1CNC(=O)c1nnc(Cc2ccc3ncc(Cl)cc3c2)n1C
Show InChI InChI=1S/C22H22ClN7O/c1-12-6-19(24)27-13(2)17(12)11-26-22(31)21-29-28-20(30(21)3)8-14-4-5-18-15(7-14)9-16(23)10-25-18/h4-7,9-10H,8,11H2,1-3H3,(H2,24,27)(H,26,31)
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n/an/a<100n/an/an/an/an/an/a



LIFESCI PHARMACEUTICALS, INC.

US Patent


Assay Description
A 10 mM solution of the test compound was made in DMSO. This solution was serially diluted 1:5 in DMSO to yield 2000, 400, 80, 16, 3.2, 0.64, 0.128, ...


US Patent US10301284 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM392612
PNG
(N-((6-amino-2,4-dimethylpyridin-3- yl)methyl)-3-((...)
Show SMILES Cc1cc(N)nc(C)c1CNC(=O)c1nc(Cc2ccc3ncc(Cl)cc3c2)nn1C
Show InChI InChI=1S/C22H22ClN7O/c1-12-6-19(24)27-13(2)17(12)11-26-22(31)21-28-20(29-30(21)3)8-14-4-5-18-15(7-14)9-16(23)10-25-18/h4-7,9-10H,8,11H2,1-3H3,(H2,24,27)(H,26,31)
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n/an/a<100n/an/an/an/an/an/a



LIFESCI PHARMACEUTICALS, INC.

US Patent


Assay Description
A 10 mM solution of the test compound was made in DMSO. This solution was serially diluted 1:5 in DMSO to yield 2000, 400, 80, 16, 3.2, 0.64, 0.128, ...


US Patent US10301284 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM392602
PNG
(N-((6-amino-2,4-dimethylpyridin-3- yl)methyl)-2-((...)
Show SMILES Cc1cc(N)nc(C)c1CNC(=O)c1cnc(Cc2ccc3ncc(Cl)cc3c2)o1
Show InChI InChI=1S/C22H20ClN5O2/c1-12-5-20(24)28-13(2)17(12)10-27-22(29)19-11-26-21(30-19)7-14-3-4-18-15(6-14)8-16(23)9-25-18/h3-6,8-9,11H,7,10H2,1-2H3,(H2,24,28)(H,27,29)
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n/an/a<100n/an/an/an/an/an/a



LIFESCI PHARMACEUTICALS, INC.

US Patent


Assay Description
A 10 mM solution of the test compound was made in DMSO. This solution was serially diluted 1:5 in DMSO to yield 2000, 400, 80, 16, 3.2, 0.64, 0.128, ...


US Patent US10301284 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM392638
PNG
(N-((6-amino-2-methylpyridin-3- yl)methyl)-1-((3-ch...)
Show SMILES Cc1nc(N)ccc1CNC(=O)c1cn(Cc2ccc3ncc(Cl)cc3c2)c2ccc(=O)[nH]c12
Show InChI InChI=1S/C25H21ClN6O2/c1-14-16(3-6-22(27)30-14)10-29-25(34)19-13-32(21-5-7-23(33)31-24(19)21)12-15-2-4-20-17(8-15)9-18(26)11-28-20/h2-9,11,13H,10,12H2,1H3,(H2,27,30)(H,29,34)(H,31,33)
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n/an/a<100n/an/an/an/an/an/a



LIFESCI PHARMACEUTICALS, INC.

US Patent


Assay Description
A 10 mM solution of the test compound was made in DMSO. This solution was serially diluted 1:5 in DMSO to yield 2000, 400, 80, 16, 3.2, 0.64, 0.128, ...


US Patent US10301284 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM392516
PNG
(N-((6-amino-2,4-dimethylpyridin-3-yl)methyl)-1-((3...)
Show SMILES Cc1cc(N)nc(C)c1CNC(=O)c1cnn(Cc2ccc3ncc(Cl)cc3c2)c1
Show InChI InChI=1S/C22H21ClN6O/c1-13-5-21(24)28-14(2)19(13)10-26-22(30)17-8-27-29(12-17)11-15-3-4-20-16(6-15)7-18(23)9-25-20/h3-9,12H,10-11H2,1-2H3,(H2,24,28)(H,26,30)
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n/an/a<100n/an/an/an/an/an/a



LIFESCI PHARMACEUTICALS, INC.

US Patent


Assay Description
A 10 mM solution of the test compound was made in DMSO. This solution was serially diluted 1:5 in DMSO to yield 2000, 400, 80, 16, 3.2, 0.64, 0.128, ...


US Patent US10301284 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM392518
PNG
(N-((6-amino-2,4-dimethylpyridin-3- yl)methyl)-1-((...)
Show SMILES Cc1cc(N)nc(C)c1CNC(=O)c1ncn(Cc2ccc3ncc(Cl)cc3c2)n1
Show InChI InChI=1S/C21H20ClN7O/c1-12-5-19(23)27-13(2)17(12)9-25-21(30)20-26-11-29(28-20)10-14-3-4-18-15(6-14)7-16(22)8-24-18/h3-8,11H,9-10H2,1-2H3,(H2,23,27)(H,25,30)
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n/an/a<100n/an/an/an/an/an/a



LIFESCI PHARMACEUTICALS, INC.

US Patent


Assay Description
A 10 mM solution of the test compound was made in DMSO. This solution was serially diluted 1:5 in DMSO to yield 2000, 400, 80, 16, 3.2, 0.64, 0.128, ...


US Patent US10301284 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM392521
PNG
(N-((6-amino-2,4-dimethylpyridin-3- yl)methyl)-5-((...)
Show SMILES Cc1cc(N)nc(C)c1CNC(=O)c1noc(Cc2ccc3ncc(Cl)cc3c2)n1
Show InChI InChI=1S/C21H19ClN6O2/c1-11-5-18(23)26-12(2)16(11)10-25-21(29)20-27-19(30-28-20)7-13-3-4-17-14(6-13)8-15(22)9-24-17/h3-6,8-9H,7,10H2,1-2H3,(H2,23,26)(H,25,29)
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n/an/a<100n/an/an/an/an/an/a



LIFESCI PHARMACEUTICALS, INC.

US Patent


Assay Description
A 10 mM solution of the test compound was made in DMSO. This solution was serially diluted 1:5 in DMSO to yield 2000, 400, 80, 16, 3.2, 0.64, 0.128, ...


US Patent US10301284 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM392552
PNG
(N-((6-amino-2,4-dimethylpyridin-3- yl)methyl)-1-((...)
Show SMILES Cc1nn(Cc2ccc3ncc(Cl)cc3c2)cc1C(=O)NCc1c(C)cc(N)nc1C
Show InChI InChI=1S/C23H23ClN6O/c1-13-6-22(25)28-14(2)19(13)10-27-23(31)20-12-30(29-15(20)3)11-16-4-5-21-17(7-16)8-18(24)9-26-21/h4-9,12H,10-11H2,1-3H3,(H2,25,28)(H,27,31)
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n/an/a<100n/an/an/an/an/an/a



LIFESCI PHARMACEUTICALS, INC.

US Patent


Assay Description
A 10 mM solution of the test compound was made in DMSO. This solution was serially diluted 1:5 in DMSO to yield 2000, 400, 80, 16, 3.2, 0.64, 0.128, ...


US Patent US10301284 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM392553
PNG
(N-((6-amino-2,4-dimethylpyridin-3- yl)methyl)-1-((...)
Show SMILES COc1nn(Cc2ccc3ncc(Cl)cc3c2)cc1C(=O)NCc1c(C)cc(N)nc1C
Show InChI InChI=1S/C23H23ClN6O2/c1-13-6-21(25)28-14(2)18(13)10-27-22(31)19-12-30(29-23(19)32-3)11-15-4-5-20-16(7-15)8-17(24)9-26-20/h4-9,12H,10-11H2,1-3H3,(H2,25,28)(H,27,31)
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n/an/a<100n/an/an/an/an/an/a



LIFESCI PHARMACEUTICALS, INC.

US Patent


Assay Description
A 10 mM solution of the test compound was made in DMSO. This solution was serially diluted 1:5 in DMSO to yield 2000, 400, 80, 16, 3.2, 0.64, 0.128, ...


US Patent US10301284 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM392576
PNG
(N-((6-amino-2,4-dimethylpyridin-3- yl)methyl)-3-cy...)
Show SMILES Cc1cnc2c(cc(Cn3cc(C(=O)NCc4c(C)cc(N)nc4C)c(n3)C#N)cc2c1)C#N
Show InChI InChI=1S/C25H22N8O/c1-14-4-18-6-17(7-19(8-26)24(18)29-10-14)12-33-13-21(22(9-27)32-33)25(34)30-11-20-15(2)5-23(28)31-16(20)3/h4-7,10,13H,11-12H2,1-3H3,(H2,28,31)(H,30,34)
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n/an/a<100n/an/an/an/an/an/a



LIFESCI PHARMACEUTICALS, INC.

US Patent


Assay Description
A 10 mM solution of the test compound was made in DMSO. This solution was serially diluted 1:5 in DMSO to yield 2000, 400, 80, 16, 3.2, 0.64, 0.128, ...


US Patent US10301284 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM392588
PNG
(N-((6-amino-2,4-dimethylpyridin-3- yl)methyl)-5-((...)
Show SMILES Cc1cc(N)nc(C)c1CNC(=O)c1nnc(Cc2cc(F)c3ncc(Cl)cc3c2)o1
Show InChI InChI=1S/C21H18ClFN6O2/c1-10-3-17(24)27-11(2)15(10)9-26-20(30)21-29-28-18(31-21)6-12-4-13-7-14(22)8-25-19(13)16(23)5-12/h3-5,7-8H,6,9H2,1-2H3,(H2,24,27)(H,26,30)
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n/an/a<100n/an/an/an/an/an/a



LIFESCI PHARMACEUTICALS, INC.

US Patent


Assay Description
A 10 mM solution of the test compound was made in DMSO. This solution was serially diluted 1:5 in DMSO to yield 2000, 400, 80, 16, 3.2, 0.64, 0.128, ...


US Patent US10301284 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM392589
PNG
(N-((6-amino-2,4-dimethylpyridin-3- yl)methyl)-1-((...)
Show SMILES Cc1cc(N)nc(C)c1CNC(=O)c1nn(Cc2ccc3ncc(Cl)cc3c2)c2ccnc(C#N)c12
Show InChI InChI=1S/C26H21ClN8O/c1-14-7-23(29)33-15(2)19(14)12-32-26(36)25-24-21(10-28)30-6-5-22(24)35(34-25)13-16-3-4-20-17(8-16)9-18(27)11-31-20/h3-9,11H,12-13H2,1-2H3,(H2,29,33)(H,32,36)
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n/an/a<100n/an/an/an/an/an/a



LIFESCI PHARMACEUTICALS, INC.

US Patent


Assay Description
A 10 mM solution of the test compound was made in DMSO. This solution was serially diluted 1:5 in DMSO to yield 2000, 400, 80, 16, 3.2, 0.64, 0.128, ...


US Patent US10301284 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM392619
PNG
(N-((6-amino-2,4-dimethylpyridin-3- yl)methyl)-4-br...)
Show SMILES Cc1cc(N)nc(C)c1CNC(=O)c1[nH]c(Cc2ccc3ncc(Cl)cc3c2)nc1Br
Show InChI InChI=1S/C22H20BrClN6O/c1-11-5-18(25)28-12(2)16(11)10-27-22(31)20-21(23)30-19(29-20)7-13-3-4-17-14(6-13)8-15(24)9-26-17/h3-6,8-9H,7,10H2,1-2H3,(H2,25,28)(H,27,31)(H,29,30)
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n/an/a<100n/an/an/an/an/an/a



LIFESCI PHARMACEUTICALS, INC.

US Patent


Assay Description
A 10 mM solution of the test compound was made in DMSO. This solution was serially diluted 1:5 in DMSO to yield 2000, 400, 80, 16, 3.2, 0.64, 0.128, ...


US Patent US10301284 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM392651
PNG
(N-((6-amino-2,4-dimethylpyridin-3- yl)methyl)-1-((...)
Show SMILES Cc1cc(N)nc(C)c1CNC(=O)c1nn(Cc2ccc3ncc(Cl)cc3c2)c2ccc(=O)[nH]c12
Show InChI InChI=1S/C25H22ClN7O2/c1-13-7-21(27)30-14(2)18(13)11-29-25(35)24-23-20(5-6-22(34)31-23)33(32-24)12-15-3-4-19-16(8-15)9-17(26)10-28-19/h3-10H,11-12H2,1-2H3,(H2,27,30)(H,29,35)(H,31,34)
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n/an/a<100n/an/an/an/an/an/a



LIFESCI PHARMACEUTICALS, INC.

US Patent


Assay Description
A 10 mM solution of the test compound was made in DMSO. This solution was serially diluted 1:5 in DMSO to yield 2000, 400, 80, 16, 3.2, 0.64, 0.128, ...


US Patent US10301284 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM392517
PNG
(N-((6-amino-2,4-dimethylpyridin-3- yl)methyl)-1-((...)
Show SMILES Cc1cc(N)nc(C)c1CNC(=O)c1cn(Cc2ccc3ncc(Cl)cc3c2)cn1
Show InChI InChI=1S/C22H21ClN6O/c1-13-5-21(24)28-14(2)18(13)9-26-22(30)20-11-29(12-27-20)10-15-3-4-19-16(6-15)7-17(23)8-25-19/h3-8,11-12H,9-10H2,1-2H3,(H2,24,28)(H,26,30)
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LIFESCI PHARMACEUTICALS, INC.

US Patent


Assay Description
A 10 mM solution of the test compound was made in DMSO. This solution was serially diluted 1:5 in DMSO to yield 2000, 400, 80, 16, 3.2, 0.64, 0.128, ...


US Patent US10301284 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM392523
PNG
(N-((6-amino-2,4-dimethylpyridin-3- yl)methyl)-3-((...)
Show SMILES Cc1cc(N)nc(C)c1CNC(=O)c1nc(Cc2ccc3ncc(Cl)cc3c2)n2ccccc12
Show InChI InChI=1S/C26H23ClN6O/c1-15-9-23(28)31-16(2)20(15)14-30-26(34)25-22-5-3-4-8-33(22)24(32-25)11-17-6-7-21-18(10-17)12-19(27)13-29-21/h3-10,12-13H,11,14H2,1-2H3,(H2,28,31)(H,30,34)
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LIFESCI PHARMACEUTICALS, INC.

US Patent


Assay Description
A 10 mM solution of the test compound was made in DMSO. This solution was serially diluted 1:5 in DMSO to yield 2000, 400, 80, 16, 3.2, 0.64, 0.128, ...


US Patent US10301284 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM392527
PNG
(N-((6-amino-2,4-dimethylpyridin-3- yl)methyl)-1-((...)
Show SMILES Cc1cc(N)nc(C)c1CNC(=O)c1nn(Cc2ccc3ncc(Cl)cc3c2)c2ccccc12
Show InChI InChI=1S/C26H23ClN6O/c1-15-9-24(28)31-16(2)21(15)13-30-26(34)25-20-5-3-4-6-23(20)33(32-25)14-17-7-8-22-18(10-17)11-19(27)12-29-22/h3-12H,13-14H2,1-2H3,(H2,28,31)(H,30,34)
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LIFESCI PHARMACEUTICALS, INC.

US Patent


Assay Description
A 10 mM solution of the test compound was made in DMSO. This solution was serially diluted 1:5 in DMSO to yield 2000, 400, 80, 16, 3.2, 0.64, 0.128, ...


US Patent US10301284 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM392534
PNG
(5-amino-N-((6-amino-2,4- dimethylpyridin-3-yl)meth...)
Show SMILES Cc1cc(N)nc(C)c1CNC(=O)c1nc(N)n(Cc2ccc3ncc(Cl)cc3c2)n1
Show InChI InChI=1S/C21H21ClN8O/c1-11-5-18(23)27-12(2)16(11)9-26-20(31)19-28-21(24)30(29-19)10-13-3-4-17-14(6-13)7-15(22)8-25-17/h3-8H,9-10H2,1-2H3,(H2,23,27)(H,26,31)(H2,24,28,29)
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LIFESCI PHARMACEUTICALS, INC.

US Patent


Assay Description
A 10 mM solution of the test compound was made in DMSO. This solution was serially diluted 1:5 in DMSO to yield 2000, 400, 80, 16, 3.2, 0.64, 0.128, ...


US Patent US10301284 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM392538
PNG
(4-amino-N-((6-amino-2,4- dimethylpyridin-3-yl)meth...)
Show SMILES Cc1cc(N)nc(C)c1CNC(=O)c1nn(Cc2ccc3ncc(Cl)cc3c2)cc1N
Show InChI InChI=1S/C22H22ClN7O/c1-12-5-20(25)28-13(2)17(12)9-27-22(31)21-18(24)11-30(29-21)10-14-3-4-19-15(6-14)7-16(23)8-26-19/h3-8,11H,9-10,24H2,1-2H3,(H2,25,28)(H,27,31)
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n/an/a<100n/an/an/an/an/an/a



LIFESCI PHARMACEUTICALS, INC.

US Patent


Assay Description
A 10 mM solution of the test compound was made in DMSO. This solution was serially diluted 1:5 in DMSO to yield 2000, 400, 80, 16, 3.2, 0.64, 0.128, ...


US Patent US10301284 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM392548
PNG
(4-amino-N-((6-amino-2,4- dimethylpyridin-3-yl)meth...)
Show SMILES Cc1cc(N)nc(C)c1CNC(=O)c1cn(Cc2ccc3ncc(Cl)cc3c2)c2ncnc(N)c12
Show InChI InChI=1S/C25H23ClN8O/c1-13-5-21(27)33-14(2)18(13)9-30-25(35)19-11-34(24-22(19)23(28)31-12-32-24)10-15-3-4-20-16(6-15)7-17(26)8-29-20/h3-8,11-12H,9-10H2,1-2H3,(H2,27,33)(H,30,35)(H2,28,31,32)
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n/an/a<100n/an/an/an/an/an/a



LIFESCI PHARMACEUTICALS, INC.

US Patent


Assay Description
A 10 mM solution of the test compound was made in DMSO. This solution was serially diluted 1:5 in DMSO to yield 2000, 400, 80, 16, 3.2, 0.64, 0.128, ...


US Patent US10301284 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM392563
PNG
(N-((1-aminoisoquinolin-6-yl)methyl)- 1-((3-chloroq...)
Show SMILES Nc1nccc2cc(CNC(=O)c3cn(Cc4ccc5ncc(Cl)cc5c4)nc3C#N)ccc12
Show InChI InChI=1S/C25H18ClN7O/c26-19-9-18-8-16(2-4-22(18)30-12-19)13-33-14-21(23(10-27)32-33)25(34)31-11-15-1-3-20-17(7-15)5-6-29-24(20)28/h1-9,12,14H,11,13H2,(H2,28,29)(H,31,34)
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n/an/a<100n/an/an/an/an/an/a



LIFESCI PHARMACEUTICALS, INC.

US Patent


Assay Description
A 10 mM solution of the test compound was made in DMSO. This solution was serially diluted 1:5 in DMSO to yield 2000, 400, 80, 16, 3.2, 0.64, 0.128, ...


US Patent US10301284 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM392568
PNG
(N-((1-aminoisoquinolin-6-yl)methyl)- 1-((3-chloro-...)
Show SMILES Nc1nccc2cc(CNC(=O)c3cn(Cc4cc(F)c5ncc(Cl)cc5c4)nc3C#N)ccc12
Show InChI InChI=1S/C25H17ClFN7O/c26-18-8-17-6-15(7-21(27)23(17)31-11-18)12-34-13-20(22(9-28)33-34)25(35)32-10-14-1-2-19-16(5-14)3-4-30-24(19)29/h1-8,11,13H,10,12H2,(H2,29,30)(H,32,35)
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n/an/a<100n/an/an/an/an/an/a



LIFESCI PHARMACEUTICALS, INC.

US Patent


Assay Description
A 10 mM solution of the test compound was made in DMSO. This solution was serially diluted 1:5 in DMSO to yield 2000, 400, 80, 16, 3.2, 0.64, 0.128, ...


US Patent US10301284 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM392575
PNG
(N-((6-amino-2,4-dimethylpyridin-3- yl)methyl)-3-cy...)
Show SMILES Cc1cnc2c(cc(Cn3cc(C(=O)NCc4c(C)cc(N)nc4C)c(n3)C#N)cc2c1)S(C)(=O)=O
Show InChI InChI=1S/C25H25N7O3S/c1-14-5-18-7-17(8-22(36(4,34)35)24(18)28-10-14)12-32-13-20(21(9-26)31-32)25(33)29-11-19-15(2)6-23(27)30-16(19)3/h5-8,10,13H,11-12H2,1-4H3,(H2,27,30)(H,29,33)
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n/an/a<100n/an/an/an/an/an/a



LIFESCI PHARMACEUTICALS, INC.

US Patent


Assay Description
A 10 mM solution of the test compound was made in DMSO. This solution was serially diluted 1:5 in DMSO to yield 2000, 400, 80, 16, 3.2, 0.64, 0.128, ...


US Patent US10301284 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM392598
PNG
(N-((6-amino-2-methylpyridin-3- yl)methyl)-1-((3-ch...)
Show SMILES Cc1nn(Cc2ccc3ncc(Cl)cc3c2)cc1C(=O)NCc1ccc(N)nc1C
Show InChI InChI=1S/C22H21ClN6O/c1-13-16(4-6-21(24)27-13)9-26-22(30)19-12-29(28-14(19)2)11-15-3-5-20-17(7-15)8-18(23)10-25-20/h3-8,10,12H,9,11H2,1-2H3,(H2,24,27)(H,26,30)
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n/an/a<100n/an/an/an/an/an/a



LIFESCI PHARMACEUTICALS, INC.

US Patent


Assay Description
A 10 mM solution of the test compound was made in DMSO. This solution was serially diluted 1:5 in DMSO to yield 2000, 400, 80, 16, 3.2, 0.64, 0.128, ...


US Patent US10301284 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM392623
PNG
(N-((6-amino-2,4-dimethylpyridin-3- yl)methyl)-1-((...)
Show SMILES Cc1cc(N)nc(C)c1CNC(=O)c1cn(Cc2ccc3ncc(Cl)cc3c2)c(CO)n1
Show InChI InChI=1S/C23H23ClN6O2/c1-13-5-21(25)28-14(2)18(13)9-27-23(32)20-11-30(22(12-31)29-20)10-15-3-4-19-16(6-15)7-17(24)8-26-19/h3-8,11,31H,9-10,12H2,1-2H3,(H2,25,28)(H,27,32)
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n/an/a<100n/an/an/an/an/an/a



LIFESCI PHARMACEUTICALS, INC.

US Patent


Assay Description
A 10 mM solution of the test compound was made in DMSO. This solution was serially diluted 1:5 in DMSO to yield 2000, 400, 80, 16, 3.2, 0.64, 0.128, ...


US Patent US10301284 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM392541
PNG
(N-((6-amino-2,4-dimethylpyridin-3- yl)methyl)-3-(a...)
Show SMILES Cc1cc(N)nc(C)c1CNC(=O)c1cn(Cc2ccc3ncc(Cl)cc3c2)nc1CN
Show InChI InChI=1S/C23H24ClN7O/c1-13-5-22(26)29-14(2)18(13)10-28-23(32)19-12-31(30-21(19)8-25)11-15-3-4-20-16(6-15)7-17(24)9-27-20/h3-7,9,12H,8,10-11,25H2,1-2H3,(H2,26,29)(H,28,32)
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n/an/a<100n/an/an/an/an/an/a



LIFESCI PHARMACEUTICALS, INC.

US Patent


Assay Description
A 10 mM solution of the test compound was made in DMSO. This solution was serially diluted 1:5 in DMSO to yield 2000, 400, 80, 16, 3.2, 0.64, 0.128, ...


US Patent US10301284 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM392549
PNG
(N-((6-amino-2,4-dimethylpyridin-3- yl)methyl)-1-((...)
Show SMILES Cc1cc(N)nc(C)c1CNC(=O)c1cn(Cc2ccc3ncc(Cl)cc3c2)c2ccncc12
Show InChI InChI=1S/C26H23ClN6O/c1-15-7-25(28)32-16(2)20(15)12-31-26(34)22-14-33(24-5-6-29-11-21(22)24)13-17-3-4-23-18(8-17)9-19(27)10-30-23/h3-11,14H,12-13H2,1-2H3,(H2,28,32)(H,31,34)
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n/an/a<100n/an/an/an/an/an/a



LIFESCI PHARMACEUTICALS, INC.

US Patent


Assay Description
A 10 mM solution of the test compound was made in DMSO. This solution was serially diluted 1:5 in DMSO to yield 2000, 400, 80, 16, 3.2, 0.64, 0.128, ...


US Patent US10301284 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM392566
PNG
(N-((6-amino-2,4-dimethylpyridin-3- yl)methyl)-1-((...)
Show SMILES Cc1cc(N)nc(C)c1CNC(=O)c1cn(Cc2cc(F)c3ncc(Cl)cc3c2)nc1C#N
Show InChI InChI=1S/C23H19ClFN7O/c1-12-3-21(27)30-13(2)17(12)9-29-23(33)18-11-32(31-20(18)7-26)10-14-4-15-6-16(24)8-28-22(15)19(25)5-14/h3-6,8,11H,9-10H2,1-2H3,(H2,27,30)(H,29,33)
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n/an/a<100n/an/an/an/an/an/a



LIFESCI PHARMACEUTICALS, INC.

US Patent


Assay Description
A 10 mM solution of the test compound was made in DMSO. This solution was serially diluted 1:5 in DMSO to yield 2000, 400, 80, 16, 3.2, 0.64, 0.128, ...


US Patent US10301284 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM392581
PNG
(N-((6-amino-2,4-dimethylpyridin-3- yl)methyl)-1-((...)
Show SMILES Cc1cc(N)nc(C)c1CNC(=O)c1cn(Cc2cc(c3ncc(Cl)cc3c2)S(C)(=O)=O)nc1C#N
Show InChI InChI=1S/C24H22ClN7O3S/c1-13-4-22(27)30-14(2)18(13)10-29-24(33)19-12-32(31-20(19)8-26)11-15-5-16-7-17(25)9-28-23(16)21(6-15)36(3,34)35/h4-7,9,12H,10-11H2,1-3H3,(H2,27,30)(H,29,33)
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n/an/a<100n/an/an/an/an/an/a



LIFESCI PHARMACEUTICALS, INC.

US Patent


Assay Description
A 10 mM solution of the test compound was made in DMSO. This solution was serially diluted 1:5 in DMSO to yield 2000, 400, 80, 16, 3.2, 0.64, 0.128, ...


US Patent US10301284 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM392586
PNG
(N-((6-amino-2,4-dimethylpyridin-3- yl)methyl)-3-cy...)
Show SMILES Cc1cc(N)nc(C)c1CNC(=O)c1cn(Cc2ccc3ncc(cc3c2)C(F)(F)F)nc1C#N
Show InChI InChI=1S/C24H20F3N7O/c1-13-5-22(29)32-14(2)18(13)10-31-23(35)19-12-34(33-21(19)8-28)11-15-3-4-20-16(6-15)7-17(9-30-20)24(25,26)27/h3-7,9,12H,10-11H2,1-2H3,(H2,29,32)(H,31,35)
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n/an/a<100n/an/an/an/an/an/a



LIFESCI PHARMACEUTICALS, INC.

US Patent


Assay Description
A 10 mM solution of the test compound was made in DMSO. This solution was serially diluted 1:5 in DMSO to yield 2000, 400, 80, 16, 3.2, 0.64, 0.128, ...


US Patent US10301284 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM392587
PNG
(N-((6-amino-2-methylpyridin-3- yl)methyl)-3-cyano-...)
Show SMILES Cc1nc(N)ccc1CNC(=O)c1cn(Cc2ccc3ncc(cc3c2)C(F)(F)F)nc1C#N
Show InChI InChI=1S/C23H18F3N7O/c1-13-15(3-5-21(28)31-13)9-30-22(34)18-12-33(32-20(18)8-27)11-14-2-4-19-16(6-14)7-17(10-29-19)23(24,25)26/h2-7,10,12H,9,11H2,1H3,(H2,28,31)(H,30,34)
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n/an/a<100n/an/an/an/an/an/a



LIFESCI PHARMACEUTICALS, INC.

US Patent


Assay Description
A 10 mM solution of the test compound was made in DMSO. This solution was serially diluted 1:5 in DMSO to yield 2000, 400, 80, 16, 3.2, 0.64, 0.128, ...


US Patent US10301284 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM392599
PNG
(N-((6-amino-2,4-dimethylpyridin-3- yl)methyl)-5-((...)
Show SMILES Cc1cc(N)nc(C)c1CNC(=O)c1nnc(Cc2cc(c3ncc(Cl)cc3c2)C(C)(C)O)o1
Show InChI InChI=1S/C24H25ClN6O3/c1-12-5-19(26)29-13(2)17(12)11-28-22(32)23-31-30-20(34-23)8-14-6-15-9-16(25)10-27-21(15)18(7-14)24(3,4)33/h5-7,9-10,33H,8,11H2,1-4H3,(H2,26,29)(H,28,32)
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n/an/a<100n/an/an/an/an/an/a



LIFESCI PHARMACEUTICALS, INC.

US Patent


Assay Description
A 10 mM solution of the test compound was made in DMSO. This solution was serially diluted 1:5 in DMSO to yield 2000, 400, 80, 16, 3.2, 0.64, 0.128, ...


US Patent US10301284 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM392603
PNG
(N-((6-amino-2-methylpyridin-3- yl)methyl)-2-((3-ch...)
Show SMILES Cc1nc(N)ccc1CNC(=O)c1cnc(Cc2ccc3ncc(Cl)cc3c2)o1
Show InChI InChI=1S/C21H18ClN5O2/c1-12-14(3-5-19(23)27-12)9-26-21(28)18-11-25-20(29-18)7-13-2-4-17-15(6-13)8-16(22)10-24-17/h2-6,8,10-11H,7,9H2,1H3,(H2,23,27)(H,26,28)
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n/an/a<100n/an/an/an/an/an/a



LIFESCI PHARMACEUTICALS, INC.

US Patent


Assay Description
A 10 mM solution of the test compound was made in DMSO. This solution was serially diluted 1:5 in DMSO to yield 2000, 400, 80, 16, 3.2, 0.64, 0.128, ...


US Patent US10301284 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM392606
PNG
(N-((6-amino-2,4-dimethylpyridin-3- yl)methyl)-1-((...)
Show SMILES Cc1cc(N)nc(C)c1CNC(=O)c1cn(Cc2ccc3ncc(Cl)cc3c2)nc1CF
Show InChI InChI=1S/C23H22ClFN6O/c1-13-5-22(26)29-14(2)18(13)10-28-23(32)19-12-31(30-21(19)8-25)11-15-3-4-20-16(6-15)7-17(24)9-27-20/h3-7,9,12H,8,10-11H2,1-2H3,(H2,26,29)(H,28,32)
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n/an/a<100n/an/an/an/an/an/a



LIFESCI PHARMACEUTICALS, INC.

US Patent


Assay Description
A 10 mM solution of the test compound was made in DMSO. This solution was serially diluted 1:5 in DMSO to yield 2000, 400, 80, 16, 3.2, 0.64, 0.128, ...


US Patent US10301284 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM392609
PNG
(N-((6-amino-2,4-dimethylpyridin-3- yl)methyl)-5-((...)
Show SMILES Cc1cc(N)nc(C)c1CNC(=O)c1nnc(Cc2ccc3ncc(Cl)cc3c2)[nH]1
Show InChI InChI=1S/C21H20ClN7O/c1-11-5-18(23)26-12(2)16(11)10-25-21(30)20-27-19(28-29-20)7-13-3-4-17-14(6-13)8-15(22)9-24-17/h3-6,8-9H,7,10H2,1-2H3,(H2,23,26)(H,25,30)(H,27,28,29)
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LIFESCI PHARMACEUTICALS, INC.

US Patent


Assay Description
A 10 mM solution of the test compound was made in DMSO. This solution was serially diluted 1:5 in DMSO to yield 2000, 400, 80, 16, 3.2, 0.64, 0.128, ...


US Patent US10301284 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM392613
PNG
(N-((6-amino-2,4-dimethylpyridin-3- yl)methyl)-5-br...)
Show SMILES Cc1cc(N)nc(C)c1CNC(=O)c1nc(Br)n(Cc2ccc3ncc(Cl)cc3c2)n1
Show InChI InChI=1S/C21H19BrClN7O/c1-11-5-18(24)27-12(2)16(11)9-26-20(31)19-28-21(22)30(29-19)10-13-3-4-17-14(6-13)7-15(23)8-25-17/h3-8H,9-10H2,1-2H3,(H2,24,27)(H,26,31)
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LIFESCI PHARMACEUTICALS, INC.

US Patent


Assay Description
A 10 mM solution of the test compound was made in DMSO. This solution was serially diluted 1:5 in DMSO to yield 2000, 400, 80, 16, 3.2, 0.64, 0.128, ...


US Patent US10301284 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM392636
PNG
(N-((6-amino-2,4-dimethylpyridin-3- yl)methyl)-1-((...)
Show SMILES Cc1cc(N)nc(C)c1CNC(=O)c1cn(Cc2ccc3ncc(Cl)cc3c2)c2cncc(C#N)c12
Show InChI InChI=1S/C27H22ClN7O/c1-15-5-25(30)34-16(2)21(15)11-33-27(36)22-14-35(24-12-31-9-19(8-29)26(22)24)13-17-3-4-23-18(6-17)7-20(28)10-32-23/h3-7,9-10,12,14H,11,13H2,1-2H3,(H2,30,34)(H,33,36)
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LIFESCI PHARMACEUTICALS, INC.

US Patent


Assay Description
A 10 mM solution of the test compound was made in DMSO. This solution was serially diluted 1:5 in DMSO to yield 2000, 400, 80, 16, 3.2, 0.64, 0.128, ...


US Patent US10301284 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM392639
PNG
(N-((6-amino-2,4-dimethylpyridin-3- yl)methyl)-1-((...)
Show SMILES Cc1cc(N)nc(C)c1CNC(=O)c1cn(Cc2ccc3ncc(Cl)cc3c2)c2ccc(=O)[nH]c12
Show InChI InChI=1S/C26H23ClN6O2/c1-14-7-23(28)31-15(2)19(14)11-30-26(35)20-13-33(22-5-6-24(34)32-25(20)22)12-16-3-4-21-17(8-16)9-18(27)10-29-21/h3-10,13H,11-12H2,1-2H3,(H2,28,31)(H,30,35)(H,32,34)
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n/an/a<100n/an/an/an/an/an/a



LIFESCI PHARMACEUTICALS, INC.

US Patent


Assay Description
A 10 mM solution of the test compound was made in DMSO. This solution was serially diluted 1:5 in DMSO to yield 2000, 400, 80, 16, 3.2, 0.64, 0.128, ...


US Patent US10301284 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM392642
PNG
(N-((6-amino-2,4-dimethylpyridin-3- yl)methyl)-1-((...)
Show SMILES Cc1cc(N)nc(C)c1CNC(=O)c1nn(Cc2ccc3ncc(Cl)cc3c2)c2cncc(C#N)c12
Show InChI InChI=1S/C26H21ClN8O/c1-14-5-23(29)33-15(2)20(14)11-32-26(36)25-24-18(8-28)9-30-12-22(24)35(34-25)13-16-3-4-21-17(6-16)7-19(27)10-31-21/h3-7,9-10,12H,11,13H2,1-2H3,(H2,29,33)(H,32,36)
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n/an/a<100n/an/an/an/an/an/a



LIFESCI PHARMACEUTICALS, INC.

US Patent


Assay Description
A 10 mM solution of the test compound was made in DMSO. This solution was serially diluted 1:5 in DMSO to yield 2000, 400, 80, 16, 3.2, 0.64, 0.128, ...


US Patent US10301284 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM392515
PNG
(N-((6-amino-2,4-dimethylpyridin-3- yl)methyl)-1-((...)
Show SMILES Cc1cc(N)nc(C)c1CNC(=O)c1ccn(Cc2ccc3ncc(Cl)cc3c2)n1
Show InChI InChI=1S/C22H21ClN6O/c1-13-7-21(24)27-14(2)18(13)11-26-22(30)20-5-6-29(28-20)12-15-3-4-19-16(8-15)9-17(23)10-25-19/h3-10H,11-12H2,1-2H3,(H2,24,27)(H,26,30)
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n/an/a<100n/an/an/an/an/an/a



LIFESCI PHARMACEUTICALS, INC.

US Patent


Assay Description
A 10 mM solution of the test compound was made in DMSO. This solution was serially diluted 1:5 in DMSO to yield 2000, 400, 80, 16, 3.2, 0.64, 0.128, ...


US Patent US10301284 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM392520
PNG
(N-((6-amino-2,4-dimethylpyridin-3- yl)methyl)-3-((...)
Show SMILES Cc1cc(N)nc(C)c1CNC(=O)c1nc(Cc2ccc3ncc(Cl)cc3c2)no1
Show InChI InChI=1S/C21H19ClN6O2/c1-11-5-18(23)26-12(2)16(11)10-25-20(29)21-27-19(28-30-21)7-13-3-4-17-14(6-13)8-15(22)9-24-17/h3-6,8-9H,7,10H2,1-2H3,(H2,23,26)(H,25,29)
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n/an/a<100n/an/an/an/an/an/a



LIFESCI PHARMACEUTICALS, INC.

US Patent


Assay Description
A 10 mM solution of the test compound was made in DMSO. This solution was serially diluted 1:5 in DMSO to yield 2000, 400, 80, 16, 3.2, 0.64, 0.128, ...


US Patent US10301284 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM392532
PNG
(N-((6-amino-2,4-dimethylpyridin-3- yl)methyl)-1-((...)
Show SMILES Cc1cc(N)nc(C)c1CNC(=O)c1nn(Cc2ccc3ncc(Cl)cc3c2)cc1[N+]([O-])=O
Show InChI InChI=1S/C22H20ClN7O3/c1-12-5-20(24)27-13(2)17(12)9-26-22(31)21-19(30(32)33)11-29(28-21)10-14-3-4-18-15(6-14)7-16(23)8-25-18/h3-8,11H,9-10H2,1-2H3,(H2,24,27)(H,26,31)
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n/an/a<100n/an/an/an/an/an/a



LIFESCI PHARMACEUTICALS, INC.

US Patent


Assay Description
A 10 mM solution of the test compound was made in DMSO. This solution was serially diluted 1:5 in DMSO to yield 2000, 400, 80, 16, 3.2, 0.64, 0.128, ...


US Patent US10301284 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM392536
PNG
(N-((6-amino-2,4-dimethylpyridin-3- yl)methyl)-1-((...)
Show SMILES Cc1cc(N)nc(C)c1CNC(=O)c1nn(Cc2ccc3ncc(Cl)cc3c2)cc1C(F)(F)F
Show InChI InChI=1S/C23H20ClF3N6O/c1-12-5-20(28)31-13(2)17(12)9-30-22(34)21-18(23(25,26)27)11-33(32-21)10-14-3-4-19-15(6-14)7-16(24)8-29-19/h3-8,11H,9-10H2,1-2H3,(H2,28,31)(H,30,34)
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n/an/a<100n/an/an/an/an/an/a



LIFESCI PHARMACEUTICALS, INC.

US Patent


Assay Description
A 10 mM solution of the test compound was made in DMSO. This solution was serially diluted 1:5 in DMSO to yield 2000, 400, 80, 16, 3.2, 0.64, 0.128, ...


US Patent US10301284 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM392540
PNG
(N4-((6-amino-2,4-dimethylpyridin-3- yl)methyl)-1-(...)
Show SMILES Cc1cc(N)nc(C)c1CNC(=O)c1cn(Cc2ccc3ncc(Cl)cc3c2)nc1C(N)=O
Show InChI InChI=1S/C23H22ClN7O2/c1-12-5-20(25)29-13(2)17(12)9-28-23(33)18-11-31(30-21(18)22(26)32)10-14-3-4-19-15(6-14)7-16(24)8-27-19/h3-8,11H,9-10H2,1-2H3,(H2,25,29)(H2,26,32)(H,28,33)
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n/an/a<100n/an/an/an/an/an/a



LIFESCI PHARMACEUTICALS, INC.

US Patent


Assay Description
A 10 mM solution of the test compound was made in DMSO. This solution was serially diluted 1:5 in DMSO to yield 2000, 400, 80, 16, 3.2, 0.64, 0.128, ...


US Patent US10301284 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM392545
PNG
(N-((6-amino-2,4-dimethylpyridin-3- yl)methyl)-5-((...)
Show SMILES Cc1cc(N)nc(C)c1CNC(=O)c1ncc(Cc2ccc3ncc(Cl)cc3c2)o1
Show InChI InChI=1S/C22H20ClN5O2/c1-12-5-20(24)28-13(2)18(12)11-26-21(29)22-27-10-17(30-22)7-14-3-4-19-15(6-14)8-16(23)9-25-19/h3-6,8-10H,7,11H2,1-2H3,(H2,24,28)(H,26,29)
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n/an/a<100n/an/an/an/an/an/a



LIFESCI PHARMACEUTICALS, INC.

US Patent


Assay Description
A 10 mM solution of the test compound was made in DMSO. This solution was serially diluted 1:5 in DMSO to yield 2000, 400, 80, 16, 3.2, 0.64, 0.128, ...


US Patent US10301284 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM392546
PNG
(N-((6-amino-2,4-dimethylpyridin-3- yl)methyl)-7-((...)
Show SMILES Cc1cc(N)nc(C)c1CNC(=O)c1cn(Cc2ccc3ncc(Cl)cc3c2)c2ncncc12
Show InChI InChI=1S/C25H22ClN7O/c1-14-5-23(27)32-15(2)19(14)10-30-25(34)21-12-33(24-20(21)9-28-13-31-24)11-16-3-4-22-17(6-16)7-18(26)8-29-22/h3-9,12-13H,10-11H2,1-2H3,(H2,27,32)(H,30,34)
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n/an/a<100n/an/an/an/an/an/a



LIFESCI PHARMACEUTICALS, INC.

US Patent


Assay Description
A 10 mM solution of the test compound was made in DMSO. This solution was serially diluted 1:5 in DMSO to yield 2000, 400, 80, 16, 3.2, 0.64, 0.128, ...


US Patent US10301284 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM392551
PNG
(N-((6-amino-2,4-dimethylpyridin-3- yl)methyl)-2-((...)
Show SMILES Cc1cc(N)nc(C)c1CNC(=O)c1oc(Cc2ccc3ncc(Cl)cc3c2)nc1C(F)(F)F
Show InChI InChI=1S/C23H19ClF3N5O2/c1-11-5-18(28)31-12(2)16(11)10-30-22(33)20-21(23(25,26)27)32-19(34-20)7-13-3-4-17-14(6-13)8-15(24)9-29-17/h3-6,8-9H,7,10H2,1-2H3,(H2,28,31)(H,30,33)
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LIFESCI PHARMACEUTICALS, INC.

US Patent


Assay Description
A 10 mM solution of the test compound was made in DMSO. This solution was serially diluted 1:5 in DMSO to yield 2000, 400, 80, 16, 3.2, 0.64, 0.128, ...


US Patent US10301284 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM392600
PNG
(N-((6-amino-2,4-dimethylpyridin-3- yl)methyl)-2-((...)
Show SMILES Cc1cc(N)nc(C)c1CNC(=O)c1oc(Cc2ccc3ncc(Cl)cc3c2)nc1C#N
Show InChI InChI=1S/C23H19ClN6O2/c1-12-5-20(26)29-13(2)17(12)11-28-23(31)22-19(9-25)30-21(32-22)7-14-3-4-18-15(6-14)8-16(24)10-27-18/h3-6,8,10H,7,11H2,1-2H3,(H2,26,29)(H,28,31)
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n/an/a<100n/an/an/an/an/an/a



LIFESCI PHARMACEUTICALS, INC.

US Patent


Assay Description
A 10 mM solution of the test compound was made in DMSO. This solution was serially diluted 1:5 in DMSO to yield 2000, 400, 80, 16, 3.2, 0.64, 0.128, ...


US Patent US10301284 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM392605
PNG
(N-((6-amino-2,4-dimethylpyridin-3- yl)methyl)-1-((...)
Show SMILES Cc1cc(N)nc(C)c1CNC(=O)c1cn(Cc2ccc3ncc(Cl)cc3c2)nc1CO
Show InChI InChI=1S/C23H23ClN6O2/c1-13-5-22(25)28-14(2)18(13)9-27-23(32)19-11-30(29-21(19)12-31)10-15-3-4-20-16(6-15)7-17(24)8-26-20/h3-8,11,31H,9-10,12H2,1-2H3,(H2,25,28)(H,27,32)
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LIFESCI PHARMACEUTICALS, INC.

US Patent


Assay Description
A 10 mM solution of the test compound was made in DMSO. This solution was serially diluted 1:5 in DMSO to yield 2000, 400, 80, 16, 3.2, 0.64, 0.128, ...


US Patent US10301284 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM392607
PNG
(N-((6-amino-2,4-dimethylpyridin-3- yl)methyl)-1-((...)
Show SMILES CC(O)c1nn(Cc2ccc3ncc(Cl)cc3c2)cc1C(=O)NCc1c(C)cc(N)nc1C
Show InChI InChI=1S/C24H25ClN6O2/c1-13-6-22(26)29-14(2)19(13)10-28-24(33)20-12-31(30-23(20)15(3)32)11-16-4-5-21-17(7-16)8-18(25)9-27-21/h4-9,12,15,32H,10-11H2,1-3H3,(H2,26,29)(H,28,33)
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n/an/a<100n/an/an/an/an/an/a



LIFESCI PHARMACEUTICALS, INC.

US Patent


Assay Description
A 10 mM solution of the test compound was made in DMSO. This solution was serially diluted 1:5 in DMSO to yield 2000, 400, 80, 16, 3.2, 0.64, 0.128, ...


US Patent US10301284 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM392610
PNG
(N-((6-amino-2-methylpyridin-3- yl)methyl)-5-((3-ch...)
Show SMILES Cc1nc(N)ccc1CNC(=O)c1nnc(Cc2ccc3ncc(Cl)cc3c2)[nH]1
Show InChI InChI=1S/C20H18ClN7O/c1-11-13(3-5-17(22)25-11)9-24-20(29)19-26-18(27-28-19)7-12-2-4-16-14(6-12)8-15(21)10-23-16/h2-6,8,10H,7,9H2,1H3,(H2,22,25)(H,24,29)(H,26,27,28)
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LIFESCI PHARMACEUTICALS, INC.

US Patent


Assay Description
A 10 mM solution of the test compound was made in DMSO. This solution was serially diluted 1:5 in DMSO to yield 2000, 400, 80, 16, 3.2, 0.64, 0.128, ...


US Patent US10301284 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM392616
PNG
(N-((6-amino-2,4-dimethylpyridin-3- yl)methyl)-2-((...)
Show SMILES Cc1cc(N)nc(C)c1CNC(=O)c1c[nH]c(Cc2ccc3ncc(Cl)cc3c2)n1
Show InChI InChI=1S/C22H21ClN6O/c1-12-5-20(24)28-13(2)17(12)10-27-22(30)19-11-26-21(29-19)7-14-3-4-18-15(6-14)8-16(23)9-25-18/h3-6,8-9,11H,7,10H2,1-2H3,(H2,24,28)(H,26,29)(H,27,30)
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LIFESCI PHARMACEUTICALS, INC.

US Patent


Assay Description
A 10 mM solution of the test compound was made in DMSO. This solution was serially diluted 1:5 in DMSO to yield 2000, 400, 80, 16, 3.2, 0.64, 0.128, ...


US Patent US10301284 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM392557
PNG
(N-((3-chloro-4-fluoro-1H-indol-5- yl)methyl)-5-((3...)
Show SMILES Fc1c(CNC(=O)c2nnc(Cc3ccc4ncc(Cl)cc4c3)o2)ccc2[nH]cc(Cl)c12
Show InChI InChI=1S/C22H14Cl2FN5O2/c23-14-7-13-5-11(1-3-16(13)26-9-14)6-18-29-30-22(32-18)21(31)28-8-12-2-4-17-19(20(12)25)15(24)10-27-17/h1-5,7,9-10,27H,6,8H2,(H,28,31)
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n/an/a 550n/an/an/an/an/an/a



LIFESCI PHARMACEUTICALS, INC.

US Patent


Assay Description
A 10 mM solution of the test compound was made in DMSO. This solution was serially diluted 1:5 in DMSO to yield 2000, 400, 80, 16, 3.2, 0.64, 0.128, ...


US Patent US10301284 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM392625
PNG
(N-((6-amino-2,4-dimethylpyridin-3- yl)methyl)-2-(a...)
Show SMILES Cc1cc(N)nc(C)c1CNC(=O)c1cn(Cc2ccc3ncc(Cl)cc3c2)c(CN)n1
Show InChI InChI=1S/C23H24ClN7O/c1-13-5-21(26)29-14(2)18(13)10-28-23(32)20-12-31(22(8-25)30-20)11-15-3-4-19-16(6-15)7-17(24)9-27-19/h3-7,9,12H,8,10-11,25H2,1-2H3,(H2,26,29)(H,28,32)
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n/an/a 550n/an/an/an/an/an/a



LIFESCI PHARMACEUTICALS, INC.

US Patent


Assay Description
A 10 mM solution of the test compound was made in DMSO. This solution was serially diluted 1:5 in DMSO to yield 2000, 400, 80, 16, 3.2, 0.64, 0.128, ...


US Patent US10301284 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM392596
PNG
(N-((6-amino-2-methylpyridin-3- yl)methyl)-2-((3-ch...)
Show SMILES Cc1nc(N)ccc1CNC(=O)c1coc(Cc2ccc3ncc(Cl)cc3c2)n1
Show InChI InChI=1S/C21H18ClN5O2/c1-12-14(3-5-19(23)26-12)9-25-21(28)18-11-29-20(27-18)7-13-2-4-17-15(6-13)8-16(22)10-24-17/h2-6,8,10-11H,7,9H2,1H3,(H2,23,26)(H,25,28)
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LIFESCI PHARMACEUTICALS, INC.

US Patent


Assay Description
A 10 mM solution of the test compound was made in DMSO. This solution was serially diluted 1:5 in DMSO to yield 2000, 400, 80, 16, 3.2, 0.64, 0.128, ...


US Patent US10301284 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM392577
PNG
(N4-((6-amino-2,4-dimethylpyridin-3- yl)methyl)-1-(...)
Show SMILES Cc1cnc2c(cc(Cn3cc(C(=O)NCc4c(C)cc(N)nc4C)c(n3)C(N)=O)cc2c1)C#N
Show InChI InChI=1S/C25H24N8O2/c1-13-4-17-6-16(7-18(8-26)22(17)29-9-13)11-33-12-20(23(32-33)24(28)34)25(35)30-10-19-14(2)5-21(27)31-15(19)3/h4-7,9,12H,10-11H2,1-3H3,(H2,27,31)(H2,28,34)(H,30,35)
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LIFESCI PHARMACEUTICALS, INC.

US Patent


Assay Description
A 10 mM solution of the test compound was made in DMSO. This solution was serially diluted 1:5 in DMSO to yield 2000, 400, 80, 16, 3.2, 0.64, 0.128, ...


US Patent US10301284 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM392621
PNG
(N-((6-amino-2,4-dimethylpyridin-3- yl)methyl)-1-((...)
Show SMILES Cc1cc(N)nc(C)c1CNC(=O)c1cc(C#N)n(Cc2ccc3ncc(Cl)cc3c2)n1
Show InChI InChI=1S/C23H20ClN7O/c1-13-5-22(26)29-14(2)19(13)11-28-23(32)21-8-18(9-25)31(30-21)12-15-3-4-20-16(6-15)7-17(24)10-27-20/h3-8,10H,11-12H2,1-2H3,(H2,26,29)(H,28,32)
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LIFESCI PHARMACEUTICALS, INC.

US Patent


Assay Description
A 10 mM solution of the test compound was made in DMSO. This solution was serially diluted 1:5 in DMSO to yield 2000, 400, 80, 16, 3.2, 0.64, 0.128, ...


US Patent US10301284 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM392614
PNG
(N-((6-amino-2,4-dimethylpyridin-3- yl)methyl)-1-((...)
Show SMILES Cc1cc(N)nc(C)c1CNC(=O)c1nc(C#N)n(Cc2ccc3ncc(Cl)cc3c2)n1
Show InChI InChI=1S/C22H19ClN8O/c1-12-5-19(25)28-13(2)17(12)10-27-22(32)21-29-20(8-24)31(30-21)11-14-3-4-18-15(6-14)7-16(23)9-26-18/h3-7,9H,10-11H2,1-2H3,(H2,25,28)(H,27,32)
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LIFESCI PHARMACEUTICALS, INC.

US Patent


Assay Description
A 10 mM solution of the test compound was made in DMSO. This solution was serially diluted 1:5 in DMSO to yield 2000, 400, 80, 16, 3.2, 0.64, 0.128, ...


US Patent US10301284 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM392569
PNG
(N-((5-chloro-1H-indazol-3-yl)methyl)- 1-((3-chloro...)
Show SMILES Fc1cc(Cn2cc(C(=O)NCc3n[nH]c4ccc(Cl)cc34)c(n2)C#N)cc2cc(Cl)cnc12
Show InChI InChI=1S/C23H14Cl2FN7O/c24-14-1-2-19-16(6-14)21(31-30-19)9-29-23(34)17-11-33(32-20(17)7-27)10-12-3-13-5-15(25)8-28-22(13)18(26)4-12/h1-6,8,11H,9-10H2,(H,29,34)(H,30,31)
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n/an/a 550n/an/an/an/an/an/a



LIFESCI PHARMACEUTICALS, INC.

US Patent


Assay Description
A 10 mM solution of the test compound was made in DMSO. This solution was serially diluted 1:5 in DMSO to yield 2000, 400, 80, 16, 3.2, 0.64, 0.128, ...


US Patent US10301284 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM392565
PNG
(N-((3-chloro-6-fluoro-1H-indol-5- yl)methyl)-1-((3...)
Show SMILES Fc1cc2[nH]cc(Cl)c2cc1CNC(=O)c1cn(Cc2ccc3ncc(Cl)cc3c2)nc1C#N
Show InChI InChI=1S/C24H15Cl2FN6O/c25-16-4-14-3-13(1-2-21(14)29-9-16)11-33-12-18(23(7-28)32-33)24(34)31-8-15-5-17-19(26)10-30-22(17)6-20(15)27/h1-6,9-10,12,30H,8,11H2,(H,31,34)
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n/an/a 550n/an/an/an/an/an/a



LIFESCI PHARMACEUTICALS, INC.

US Patent


Assay Description
A 10 mM solution of the test compound was made in DMSO. This solution was serially diluted 1:5 in DMSO to yield 2000, 400, 80, 16, 3.2, 0.64, 0.128, ...


US Patent US10301284 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM392564
PNG
(N-((3-chloro-1H-pyrrolo[2,3- b]pyridin-5-yl)methyl...)
Show SMILES Clc1c[nH]c2ncc(CNC(=O)c3cn(Cc4ccc5ncc(Cl)cc5c4)nc3C#N)cc12
Show InChI InChI=1S/C23H15Cl2N7O/c24-16-5-15-3-13(1-2-20(15)27-9-16)11-32-12-18(21(6-26)31-32)23(33)30-8-14-4-17-19(25)10-29-22(17)28-7-14/h1-5,7,9-10,12H,8,11H2,(H,28,29)(H,30,33)
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n/an/a 550n/an/an/an/an/an/a



LIFESCI PHARMACEUTICALS, INC.

US Patent


Assay Description
A 10 mM solution of the test compound was made in DMSO. This solution was serially diluted 1:5 in DMSO to yield 2000, 400, 80, 16, 3.2, 0.64, 0.128, ...


US Patent US10301284 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM392558
PNG
(N-((3-chloro-6-fluoro-1H-indol-5- yl)methyl)-5-((3...)
Show SMILES Fc1cc2[nH]cc(Cl)c2cc1CNC(=O)c1nnc(Cc2ccc3ncc(Cl)cc3c2)o1
Show InChI InChI=1S/C22H14Cl2FN5O2/c23-14-5-12-3-11(1-2-18(12)26-9-14)4-20-29-30-22(32-20)21(31)28-8-13-6-15-16(24)10-27-19(15)7-17(13)25/h1-3,5-7,9-10,27H,4,8H2,(H,28,31)
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n/an/a 550n/an/an/an/an/an/a



LIFESCI PHARMACEUTICALS, INC.

US Patent


Assay Description
A 10 mM solution of the test compound was made in DMSO. This solution was serially diluted 1:5 in DMSO to yield 2000, 400, 80, 16, 3.2, 0.64, 0.128, ...


US Patent US10301284 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM392556
PNG
(N-((5-chloro-1H-indazol-3-yl)methyl)- 5-((3-chloro...)
Show SMILES Clc1ccc2[nH]nc(CNC(=O)c3nnc(Cc4ccc5ncc(Cl)cc5c4)o3)c2c1
Show InChI InChI=1S/C21H14Cl2N6O2/c22-13-2-4-17-15(8-13)18(27-26-17)10-25-20(30)21-29-28-19(31-21)6-11-1-3-16-12(5-11)7-14(23)9-24-16/h1-5,7-9H,6,10H2,(H,25,30)(H,26,27)
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n/an/a 550n/an/an/an/an/an/a



LIFESCI PHARMACEUTICALS, INC.

US Patent


Assay Description
A 10 mM solution of the test compound was made in DMSO. This solution was serially diluted 1:5 in DMSO to yield 2000, 400, 80, 16, 3.2, 0.64, 0.128, ...


US Patent US10301284 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM392547
PNG
(4-amino-N-((6-amino-2,4- dimethylpyridin-3-yl)meth...)
Show SMILES Cc1cc(N)nc(C)c1CNC(=O)c1nn(Cc2ccc3ncc(Cl)cc3c2)c2cccc(N)c12
Show InChI InChI=1S/C26H24ClN7O/c1-14-8-23(29)32-15(2)19(14)12-31-26(35)25-24-20(28)4-3-5-22(24)34(33-25)13-16-6-7-21-17(9-16)10-18(27)11-30-21/h3-11H,12-13,28H2,1-2H3,(H2,29,32)(H,31,35)
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n/an/a 550n/an/an/an/an/an/a



LIFESCI PHARMACEUTICALS, INC.

US Patent


Assay Description
A 10 mM solution of the test compound was made in DMSO. This solution was serially diluted 1:5 in DMSO to yield 2000, 400, 80, 16, 3.2, 0.64, 0.128, ...


US Patent US10301284 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM392648
PNG
(N-((6-amino-2,4-dimethylpyridin-3- yl)methyl)-1-((...)
Show SMILES Cc1cc(N)nc(C)c1CNC(=O)c1cn(Cc2ccc3ncc(Cl)cc3c2)c2ncc(cc12)C#N
Show InChI InChI=1S/C27H22ClN7O/c1-15-5-25(30)34-16(2)22(15)12-33-27(36)23-14-35(26-21(23)7-18(9-29)10-32-26)13-17-3-4-24-19(6-17)8-20(28)11-31-24/h3-8,10-11,14H,12-13H2,1-2H3,(H2,30,34)(H,33,36)
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n/an/a 550n/an/an/an/an/an/a



LIFESCI PHARMACEUTICALS, INC.

US Patent


Assay Description
A 10 mM solution of the test compound was made in DMSO. This solution was serially diluted 1:5 in DMSO to yield 2000, 400, 80, 16, 3.2, 0.64, 0.128, ...


US Patent US10301284 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM392632
PNG
(N-((6-amino-2,4-dimethylpyridin-3- yl)methyl)-4-ch...)
Show SMILES Cc1cc(N)nc(C)c1CNC(=O)c1nn(Cc2ccc3ncc(Cl)cc3c2)c2ccnc(Cl)c12
Show InChI InChI=1S/C25H21Cl2N7O/c1-13-7-21(28)32-14(2)18(13)11-31-25(35)23-22-20(5-6-29-24(22)27)34(33-23)12-15-3-4-19-16(8-15)9-17(26)10-30-19/h3-10H,11-12H2,1-2H3,(H2,28,32)(H,31,35)
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n/an/a 550n/an/an/an/an/an/a



LIFESCI PHARMACEUTICALS, INC.

US Patent


Assay Description
A 10 mM solution of the test compound was made in DMSO. This solution was serially diluted 1:5 in DMSO to yield 2000, 400, 80, 16, 3.2, 0.64, 0.128, ...


US Patent US10301284 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM392562
PNG
(N-((5-chloro-1H-indazol-3-yl)methyl)- 1-((3-chloro...)
Show SMILES Clc1ccc2[nH]nc(CNC(=O)c3cn(Cc4ccc5ncc(Cl)cc5c4)nc3C#N)c2c1
Show InChI InChI=1S/C23H15Cl2N7O/c24-15-2-4-20-17(7-15)22(30-29-20)10-28-23(33)18-12-32(31-21(18)8-26)11-13-1-3-19-14(5-13)6-16(25)9-27-19/h1-7,9,12H,10-11H2,(H,28,33)(H,29,30)
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n/an/a 550n/an/an/an/an/an/a



LIFESCI PHARMACEUTICALS, INC.

US Patent


Assay Description
A 10 mM solution of the test compound was made in DMSO. This solution was serially diluted 1:5 in DMSO to yield 2000, 400, 80, 16, 3.2, 0.64, 0.128, ...


US Patent US10301284 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM392560
PNG
(N-((1-aminoisoquinolin-6-yl)methyl)- 5-((3-chloroq...)
Show SMILES Nc1nccc2cc(CNC(=O)c3nnc(Cc4ccc5ncc(Cl)cc5c4)o3)ccc12
Show InChI InChI=1S/C23H17ClN6O2/c24-17-10-16-7-13(2-4-19(16)27-12-17)9-20-29-30-23(32-20)22(31)28-11-14-1-3-18-15(8-14)5-6-26-21(18)25/h1-8,10,12H,9,11H2,(H2,25,26)(H,28,31)
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n/an/a 550n/an/an/an/an/an/a



LIFESCI PHARMACEUTICALS, INC.

US Patent


Assay Description
A 10 mM solution of the test compound was made in DMSO. This solution was serially diluted 1:5 in DMSO to yield 2000, 400, 80, 16, 3.2, 0.64, 0.128, ...


US Patent US10301284 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM392637
PNG
(N-((6-amino-2,4-dimethylpyridin-3- yl)methyl)-1-((...)
Show SMILES Cc1cc(N)nc(C)c1CNC(=O)c1nn(Cc2ccc3ncc(Cl)cc3c2)c2c[nH]c(=O)cc12
Show InChI InChI=1S/C25H22ClN7O2/c1-13-5-22(27)31-14(2)19(13)10-30-25(35)24-18-8-23(34)29-11-21(18)33(32-24)12-15-3-4-20-16(6-15)7-17(26)9-28-20/h3-9,11H,10,12H2,1-2H3,(H2,27,31)(H,29,34)(H,30,35)
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n/an/a 550n/an/an/an/an/an/a



LIFESCI PHARMACEUTICALS, INC.

US Patent


Assay Description
A 10 mM solution of the test compound was made in DMSO. This solution was serially diluted 1:5 in DMSO to yield 2000, 400, 80, 16, 3.2, 0.64, 0.128, ...


US Patent US10301284 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM392571
PNG
(N-((3-chloro-4-fluoro-1H-indol-5- yl)methyl)-1-((3...)
Show SMILES Fc1cc(Cn2cc(C(=O)NCc3ccc4[nH]cc(Cl)c4c3F)c(n2)C#N)cc2cc(Cl)cnc12
Show InChI InChI=1S/C24H14Cl2F2N6O/c25-15-5-14-3-12(4-18(27)23(14)31-8-15)10-34-11-16(20(6-29)33-34)24(35)32-7-13-1-2-19-21(22(13)28)17(26)9-30-19/h1-5,8-9,11,30H,7,10H2,(H,32,35)
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n/an/a 550n/an/an/an/an/an/a



LIFESCI PHARMACEUTICALS, INC.

US Patent


Assay Description
A 10 mM solution of the test compound was made in DMSO. This solution was serially diluted 1:5 in DMSO to yield 2000, 400, 80, 16, 3.2, 0.64, 0.128, ...


US Patent US10301284 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM392559
PNG
(N-((3-chloro-1H-pyrrolo[2,3- b]pyridin-5-yl)methyl...)
Show SMILES Clc1c[nH]c2ncc(CNC(=O)c3nnc(Cc4ccc5ncc(Cl)cc5c4)o3)cc12
Show InChI InChI=1S/C21H14Cl2N6O2/c22-14-6-13-3-11(1-2-17(13)24-9-14)5-18-28-29-21(31-18)20(30)27-8-12-4-15-16(23)10-26-19(15)25-7-12/h1-4,6-7,9-10H,5,8H2,(H,25,26)(H,27,30)
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n/an/a 550n/an/an/an/an/an/a



LIFESCI PHARMACEUTICALS, INC.

US Patent


Assay Description
A 10 mM solution of the test compound was made in DMSO. This solution was serially diluted 1:5 in DMSO to yield 2000, 400, 80, 16, 3.2, 0.64, 0.128, ...


US Patent US10301284 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM392592
PNG
(N-((6-amino-2-methylpyridin-3- yl)methyl)-5-((3-ch...)
Show SMILES Cc1nc(N)ccc1CNC(=O)c1nnc(Cc2ccc3ncc(Cl)cc3c2)o1
Show InChI InChI=1S/C20H17ClN6O2/c1-11-13(3-5-17(22)25-11)9-24-19(28)20-27-26-18(29-20)7-12-2-4-16-14(6-12)8-15(21)10-23-16/h2-6,8,10H,7,9H2,1H3,(H2,22,25)(H,24,28)
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n/an/a 550n/an/an/an/an/an/a



LIFESCI PHARMACEUTICALS, INC.

US Patent


Assay Description
A 10 mM solution of the test compound was made in DMSO. This solution was serially diluted 1:5 in DMSO to yield 2000, 400, 80, 16, 3.2, 0.64, 0.128, ...


US Patent US10301284 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM392644
PNG
(N-((6-amino-2,4-dimethylpyridin-3- yl)methyl)-7-((...)
Show SMILES COc1ncnc2n(Cc3ccc4ncc(Cl)cc4c3)cc(C(=O)NCc3c(C)cc(N)nc3C)c12
Show InChI InChI=1S/C26H24ClN7O2/c1-14-6-22(28)33-15(2)19(14)10-30-25(35)20-12-34(24-23(20)26(36-3)32-13-31-24)11-16-4-5-21-17(7-16)8-18(27)9-29-21/h4-9,12-13H,10-11H2,1-3H3,(H2,28,33)(H,30,35)
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n/an/a 550n/an/an/an/an/an/a



LIFESCI PHARMACEUTICALS, INC.

US Patent


Assay Description
A 10 mM solution of the test compound was made in DMSO. This solution was serially diluted 1:5 in DMSO to yield 2000, 400, 80, 16, 3.2, 0.64, 0.128, ...


US Patent US10301284 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM392561
PNG
(N-((3-chloro-4-fluoro-1H-indol-5- yl)methyl)-1-((3...)
Show SMILES Fc1c(CNC(=O)c2cn(Cc3ccc4ncc(Cl)cc4c3)nc2C#N)ccc2[nH]cc(Cl)c12
Show InChI InChI=1S/C24H15Cl2FN6O/c25-16-6-15-5-13(1-3-19(15)29-9-16)11-33-12-17(21(7-28)32-33)24(34)31-8-14-2-4-20-22(23(14)27)18(26)10-30-20/h1-6,9-10,12,30H,8,11H2,(H,31,34)
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n/an/a 550n/an/an/an/an/an/a



LIFESCI PHARMACEUTICALS, INC.

US Patent


Assay Description
A 10 mM solution of the test compound was made in DMSO. This solution was serially diluted 1:5 in DMSO to yield 2000, 400, 80, 16, 3.2, 0.64, 0.128, ...


US Patent US10301284 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM392601
PNG
(N-((6-amino-2-methylpyridin-3- yl)methyl)-2-((3-ch...)
Show SMILES Cc1nc(N)ccc1CNC(=O)c1oc(Cc2ccc3ncc(Cl)cc3c2)nc1C#N
Show InChI InChI=1S/C22H17ClN6O2/c1-12-14(3-5-19(25)28-12)10-27-22(30)21-18(9-24)29-20(31-21)7-13-2-4-17-15(6-13)8-16(23)11-26-17/h2-6,8,11H,7,10H2,1H3,(H2,25,28)(H,27,30)
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n/an/a 550n/an/an/an/an/an/a



LIFESCI PHARMACEUTICALS, INC.

US Patent


Assay Description
A 10 mM solution of the test compound was made in DMSO. This solution was serially diluted 1:5 in DMSO to yield 2000, 400, 80, 16, 3.2, 0.64, 0.128, ...


US Patent US10301284 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM392626
PNG
(N-((6-amino-2,4-dimethylpyridin-3- yl)methyl)-1-((...)
Show SMILES Cc1cc(N)nc(C)c1CNC(=O)c1cn(Cc2ccc3ncc(Cl)cc3c2)c(n1)C#N
Show InChI InChI=1S/C23H20ClN7O/c1-13-5-21(26)29-14(2)18(13)10-28-23(32)20-12-31(22(8-25)30-20)11-15-3-4-19-16(6-15)7-17(24)9-27-19/h3-7,9,12H,10-11H2,1-2H3,(H2,26,29)(H,28,32)
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n/an/a 550n/an/an/an/an/an/a



LIFESCI PHARMACEUTICALS, INC.

US Patent


Assay Description
A 10 mM solution of the test compound was made in DMSO. This solution was serially diluted 1:5 in DMSO to yield 2000, 400, 80, 16, 3.2, 0.64, 0.128, ...


US Patent US10301284 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM392649
PNG
(N-((6-amino-2,4-dimethylpyridin-3- yl)methyl)-7-((...)
Show SMILES Cc1cc(N)nc(C)c1CNC(=O)c1cn(Cc2ccc3ncc(Cl)cc3c2)c2ncnc(C#N)c12
Show InChI InChI=1S/C26H21ClN8O/c1-14-5-23(29)34-15(2)19(14)10-31-26(36)20-12-35(25-24(20)22(8-28)32-13-33-25)11-16-3-4-21-17(6-16)7-18(27)9-30-21/h3-7,9,12-13H,10-11H2,1-2H3,(H2,29,34)(H,31,36)
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n/an/a 550n/an/an/an/an/an/a



LIFESCI PHARMACEUTICALS, INC.

US Patent


Assay Description
A 10 mM solution of the test compound was made in DMSO. This solution was serially diluted 1:5 in DMSO to yield 2000, 400, 80, 16, 3.2, 0.64, 0.128, ...


US Patent US10301284 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM392624
PNG
(N4-((6-amino-2,4-dimethylpyridin-3- yl)methyl)-1-(...)
Show SMILES Cc1cc(N)nc(C)c1CNC(=O)c1cn(Cc2ccc3ncc(Cl)cc3c2)c(n1)C(O)=O
Show InChI InChI=1S/C23H21ClN6O3/c1-12-5-20(25)28-13(2)17(12)9-27-22(31)19-11-30(21(29-19)23(32)33)10-14-3-4-18-15(6-14)7-16(24)8-26-18/h3-8,11H,9-10H2,1-2H3,(H2,25,28)(H,27,31)(H,32,33)
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n/an/a 550n/an/an/an/an/an/a



LIFESCI PHARMACEUTICALS, INC.

US Patent


Assay Description
A 10 mM solution of the test compound was made in DMSO. This solution was serially diluted 1:5 in DMSO to yield 2000, 400, 80, 16, 3.2, 0.64, 0.128, ...


US Patent US10301284 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM392650
PNG
(N-((6-amino-2,4-dimethylpyridin-3- yl)methyl)-1-((...)
Show SMILES COc1ccc2n(Cc3ccc4ncc(Cl)cc4c3)nc(C(=O)NCc3c(C)cc(N)nc3C)c2n1
Show InChI InChI=1S/C26H24ClN7O2/c1-14-8-22(28)31-15(2)19(14)12-30-26(35)25-24-21(6-7-23(32-24)36-3)34(33-25)13-16-4-5-20-17(9-16)10-18(27)11-29-20/h4-11H,12-13H2,1-3H3,(H2,28,31)(H,30,35)
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n/an/a 550n/an/an/an/an/an/a



LIFESCI PHARMACEUTICALS, INC.

US Patent


Assay Description
A 10 mM solution of the test compound was made in DMSO. This solution was serially diluted 1:5 in DMSO to yield 2000, 400, 80, 16, 3.2, 0.64, 0.128, ...


US Patent US10301284 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM392555
PNG
(N-((6-amino-2,4-dimethylpyridin-3- yl)methyl)-5-((...)
Show SMILES Cc1cc(N)nc(C)c1CNC(=O)c1ncc(Cc2ccc3ncc(Cl)cc3c2)[nH]1
Show InChI InChI=1S/C22H21ClN6O/c1-12-5-20(24)28-13(2)18(12)11-27-22(30)21-26-10-17(29-21)7-14-3-4-19-15(6-14)8-16(23)9-25-19/h3-6,8-10H,7,11H2,1-2H3,(H2,24,28)(H,26,29)(H,27,30)
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n/an/a 550n/an/an/an/an/an/a



LIFESCI PHARMACEUTICALS, INC.

US Patent


Assay Description
A 10 mM solution of the test compound was made in DMSO. This solution was serially diluted 1:5 in DMSO to yield 2000, 400, 80, 16, 3.2, 0.64, 0.128, ...


US Patent US10301284 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM392618
PNG
(N-((6-amino-2,4-dimethylpyridin-3- yl)methyl)-2-((...)
Show SMILES Cc1cc(N)nc(C)c1CNC(=O)c1cnc(Cc2ccc3ncc(Cl)cc3c2)n1C
Show InChI InChI=1S/C23H23ClN6O/c1-13-6-21(25)29-14(2)18(13)11-28-23(31)20-12-27-22(30(20)3)8-15-4-5-19-16(7-15)9-17(24)10-26-19/h4-7,9-10,12H,8,11H2,1-3H3,(H2,25,29)(H,28,31)
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n/an/a 5.50E+3n/an/an/an/an/an/a



LIFESCI PHARMACEUTICALS, INC.

US Patent


Assay Description
A 10 mM solution of the test compound was made in DMSO. This solution was serially diluted 1:5 in DMSO to yield 2000, 400, 80, 16, 3.2, 0.64, 0.128, ...


US Patent US10301284 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM392580
PNG
(N-((6-amino-2,4-dimethylpyridin-3- yl)methyl)-5-cy...)
Show SMILES Cc1cnc2c(cc(Cn3ncc(C(=O)NCc4c(C)cc(N)nc4C)c3C#N)cc2c1)C(C)(C)O
Show InChI InChI=1S/C27H29N7O2/c1-15-6-19-8-18(9-22(27(4,5)36)25(19)30-11-15)14-34-23(10-28)21(13-32-34)26(35)31-12-20-16(2)7-24(29)33-17(20)3/h6-9,11,13,36H,12,14H2,1-5H3,(H2,29,33)(H,31,35)
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n/an/a 5.50E+3n/an/an/an/an/an/a



LIFESCI PHARMACEUTICALS, INC.

US Patent


Assay Description
A 10 mM solution of the test compound was made in DMSO. This solution was serially diluted 1:5 in DMSO to yield 2000, 400, 80, 16, 3.2, 0.64, 0.128, ...


US Patent US10301284 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM392633
PNG
(N-((6-amino-2,4-dimethylpyridin-3- yl)methyl)-1-((...)
Show SMILES Cc1cc(N)nc(C)c1CNC(=O)c1nn(Cc2ccc3ncc(Cl)cc3c2)c2cc[nH]c(=O)c12
Show InChI InChI=1S/C25H22ClN7O2/c1-13-7-21(27)31-14(2)18(13)11-30-25(35)23-22-20(5-6-28-24(22)34)33(32-23)12-15-3-4-19-16(8-15)9-17(26)10-29-19/h3-10H,11-12H2,1-2H3,(H2,27,31)(H,28,34)(H,30,35)
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n/an/a 5.50E+3n/an/an/an/an/an/a



LIFESCI PHARMACEUTICALS, INC.

US Patent


Assay Description
A 10 mM solution of the test compound was made in DMSO. This solution was serially diluted 1:5 in DMSO to yield 2000, 400, 80, 16, 3.2, 0.64, 0.128, ...


US Patent US10301284 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM392629
PNG
(N-((6-amino-2,4-dimethylpyridin-3- yl)methyl)-1-((...)
Show SMILES Cc1cc(N)nc(C)c1CNC(=O)c1cc(n(Cc2ccc3ncc(Cl)cc3c2)n1)C(F)(F)F
Show InChI InChI=1S/C23H20ClF3N6O/c1-12-5-21(28)31-13(2)17(12)10-30-22(34)19-8-20(23(25,26)27)33(32-19)11-14-3-4-18-15(6-14)7-16(24)9-29-18/h3-9H,10-11H2,1-2H3,(H2,28,31)(H,30,34)
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n/an/a 5.50E+3n/an/an/an/an/an/a



LIFESCI PHARMACEUTICALS, INC.

US Patent


Assay Description
A 10 mM solution of the test compound was made in DMSO. This solution was serially diluted 1:5 in DMSO to yield 2000, 400, 80, 16, 3.2, 0.64, 0.128, ...


US Patent US10301284 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM392554
PNG
(N-((6-amino-2,4-dimethylpyridin-3- yl)methyl)-1-((...)
Show SMILES Cc1cc(N)nc(C)c1CNC(=O)c1cnn(Cc2ccc3ncc(Cl)cc3c2)c1C#N
Show InChI InChI=1S/C23H20ClN7O/c1-13-5-22(26)30-14(2)18(13)10-28-23(32)19-11-29-31(21(19)8-25)12-15-3-4-20-16(6-15)7-17(24)9-27-20/h3-7,9,11H,10,12H2,1-2H3,(H2,26,30)(H,28,32)
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n/an/a 5.50E+3n/an/an/an/an/an/a



LIFESCI PHARMACEUTICALS, INC.

US Patent


Assay Description
A 10 mM solution of the test compound was made in DMSO. This solution was serially diluted 1:5 in DMSO to yield 2000, 400, 80, 16, 3.2, 0.64, 0.128, ...


US Patent US10301284 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM392641
PNG
(N-((6-amino-2,4-dimethylpyridin-3- yl)methyl)-1-((...)
Show SMILES COc1ccc2n(Cc3ccc4ncc(Cl)cc4c3)cc(C(=O)NCc3c(C)cc(N)nc3C)c2n1
Show InChI InChI=1S/C27H25ClN6O2/c1-15-8-24(29)32-16(2)20(15)12-31-27(35)21-14-34(23-6-7-25(36-3)33-26(21)23)13-17-4-5-22-18(9-17)10-19(28)11-30-22/h4-11,14H,12-13H2,1-3H3,(H2,29,32)(H,31,35)
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n/an/a 5.50E+3n/an/an/an/an/an/a



LIFESCI PHARMACEUTICALS, INC.

US Patent


Assay Description
A 10 mM solution of the test compound was made in DMSO. This solution was serially diluted 1:5 in DMSO to yield 2000, 400, 80, 16, 3.2, 0.64, 0.128, ...


US Patent US10301284 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM392653
PNG
(4-amino-N-((6-amino-2,4- dimethylpyridin-3-yl)meth...)
Show SMILES Cc1cc(N)nc(C)c1CNC(=O)c1n(Cc2ccc3ncc(Cl)cc3c2)nc2cccc(N)c12
Show InChI InChI=1S/C26H24ClN7O/c1-14-8-23(29)32-15(2)19(14)12-31-26(35)25-24-20(28)4-3-5-22(24)33-34(25)13-16-6-7-21-17(9-16)10-18(27)11-30-21/h3-11H,12-13,28H2,1-2H3,(H2,29,32)(H,31,35)
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n/an/a>1.00E+4n/an/an/an/an/an/a



LIFESCI PHARMACEUTICALS, INC.

US Patent


Assay Description
A 10 mM solution of the test compound was made in DMSO. This solution was serially diluted 1:5 in DMSO to yield 2000, 400, 80, 16, 3.2, 0.64, 0.128, ...


US Patent US10301284 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM392631
PNG
(N-((6-amino-2,4-dimethylpyridin-3- yl)methyl)-1-((...)
Show SMILES Cc1cc(N)nc(C)c1CNC(=O)c1cn(Cc2ccc3ncc(Cl)cc3c2)c2cc[nH]c(=O)c12
Show InChI InChI=1S/C26H23ClN6O2/c1-14-7-23(28)32-15(2)19(14)11-31-25(34)20-13-33(22-5-6-29-26(35)24(20)22)12-16-3-4-21-17(8-16)9-18(27)10-30-21/h3-10,13H,11-12H2,1-2H3,(H2,28,32)(H,29,35)(H,31,34)
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n/an/a>1.00E+4n/an/an/an/an/an/a



LIFESCI PHARMACEUTICALS, INC.

US Patent


Assay Description
A 10 mM solution of the test compound was made in DMSO. This solution was serially diluted 1:5 in DMSO to yield 2000, 400, 80, 16, 3.2, 0.64, 0.128, ...


US Patent US10301284 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM392617
PNG
(N-((6-amino-2,4-dimethylpyridin-3- yl)methyl)-2-((...)
Show SMILES Cc1cc(N)nc(C)c1CNC(=O)c1cn(C)c(Cc2ccc3ncc(Cl)cc3c2)n1
Show InChI InChI=1S/C23H23ClN6O/c1-13-6-21(25)28-14(2)18(13)11-27-23(31)20-12-30(3)22(29-20)8-15-4-5-19-16(7-15)9-17(24)10-26-19/h4-7,9-10,12H,8,11H2,1-3H3,(H2,25,28)(H,27,31)
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n/an/a>1.00E+4n/an/an/an/an/an/a



LIFESCI PHARMACEUTICALS, INC.

US Patent


Assay Description
A 10 mM solution of the test compound was made in DMSO. This solution was serially diluted 1:5 in DMSO to yield 2000, 400, 80, 16, 3.2, 0.64, 0.128, ...


US Patent US10301284 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM392614
PNG
(N-((6-amino-2,4-dimethylpyridin-3- yl)methyl)-1-((...)
Show SMILES Cc1cc(N)nc(C)c1CNC(=O)c1nc(C#N)n(Cc2ccc3ncc(Cl)cc3c2)n1
Show InChI InChI=1S/C22H19ClN8O/c1-12-5-19(25)28-13(2)17(12)10-27-22(32)21-29-20(8-24)31(30-21)11-14-3-4-18-15(6-14)7-16(23)9-26-18/h3-7,9H,10-11H2,1-2H3,(H2,25,28)(H,27,32)
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LIFESCI PHARMACEUTICALS, INC.

US Patent


Assay Description
A 10 mM solution of the test compound was made in DMSO. This solution was serially diluted 1:5 in DMSO to yield 2000, 400, 80, 16, 3.2, 0.64, 0.128, ...


US Patent US10301284 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM392593
PNG
(N-((6-amino-2,4-dimethylpyridin-3- yl)methyl)-2-(3...)
Show SMILES Cc1cc(N)nc(C)c1CNC(=O)c1cnc(o1)C(=O)c1ccc2ncc(Cl)cc2c1
Show InChI InChI=1S/C22H18ClN5O3/c1-11-5-19(24)28-12(2)16(11)9-26-21(30)18-10-27-22(31-18)20(29)13-3-4-17-14(6-13)7-15(23)8-25-17/h3-8,10H,9H2,1-2H3,(H2,24,28)(H,26,30)
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n/an/a>1.00E+4n/an/an/an/an/an/a



LIFESCI PHARMACEUTICALS, INC.

US Patent


Assay Description
A 10 mM solution of the test compound was made in DMSO. This solution was serially diluted 1:5 in DMSO to yield 2000, 400, 80, 16, 3.2, 0.64, 0.128, ...


US Patent US10301284 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM392654
PNG
(N-((6-amino-2,4-dimethylpyridin-3- yl)methyl)-1-((...)
Show SMILES Cc1cc(N)nc(C)c1CNC(=O)c1c(nnn1Cc1ccc2ncc(Cl)cc2c1)C(F)(F)F
Show InChI InChI=1S/C22H19ClF3N7O/c1-11-5-18(27)30-12(2)16(11)9-29-21(34)19-20(22(24,25)26)31-32-33(19)10-13-3-4-17-14(6-13)7-15(23)8-28-17/h3-8H,9-10H2,1-2H3,(H2,27,30)(H,29,34)
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n/an/a>1.00E+4n/an/an/an/an/an/a



LIFESCI PHARMACEUTICALS, INC.

US Patent


Assay Description
A 10 mM solution of the test compound was made in DMSO. This solution was serially diluted 1:5 in DMSO to yield 2000, 400, 80, 16, 3.2, 0.64, 0.128, ...


US Patent US10301284 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM392528
PNG
(N-((6-amino-2,4-dimethylpyridin-3- yl)methyl)-2-((...)
Show SMILES Cc1cc(N)nc(C)c1CNC(=O)c1n(Cc2ccc3ncc(Cl)cc3c2)nc2ccccc12
Show InChI InChI=1S/C26H23ClN6O/c1-15-9-24(28)31-16(2)21(15)13-30-26(34)25-20-5-3-4-6-23(20)32-33(25)14-17-7-8-22-18(10-17)11-19(27)12-29-22/h3-12H,13-14H2,1-2H3,(H2,28,31)(H,30,34)
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LIFESCI PHARMACEUTICALS, INC.

US Patent


Assay Description
A 10 mM solution of the test compound was made in DMSO. This solution was serially diluted 1:5 in DMSO to yield 2000, 400, 80, 16, 3.2, 0.64, 0.128, ...


US Patent US10301284 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM392583
PNG
(N-((6-amino-2,4-dimethylpyridin-3- yl)methyl)-1-((...)
Show SMILES Cc1cc(N)nc(C)c1CNC(=O)c1cnn(Cc2cc(F)c3ncc(Cl)cc3c2)c1C#N
Show InChI InChI=1S/C23H19ClFN7O/c1-12-3-21(27)31-13(2)17(12)9-29-23(33)18-10-30-32(20(18)7-26)11-14-4-15-6-16(24)8-28-22(15)19(25)5-14/h3-6,8,10H,9,11H2,1-2H3,(H2,27,31)(H,29,33)
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n/an/a>1.00E+4n/an/an/an/an/an/a



LIFESCI PHARMACEUTICALS, INC.

US Patent


Assay Description
A 10 mM solution of the test compound was made in DMSO. This solution was serially diluted 1:5 in DMSO to yield 2000, 400, 80, 16, 3.2, 0.64, 0.128, ...


US Patent US10301284 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM392655
PNG
(US10301284, Example 142 | ethyl 3-(((6-amino-2,4- ...)
Show SMILES CCOC(=O)c1nc(nn1Cc1ccc2ncc(Cl)cc2c1)C(=O)NCc1c(C)cc(N)nc1C
Show InChI InChI=1S/C24H24ClN7O3/c1-4-35-24(34)22-30-21(23(33)28-11-18-13(2)7-20(26)29-14(18)3)31-32(22)12-15-5-6-19-16(8-15)9-17(25)10-27-19/h5-10H,4,11-12H2,1-3H3,(H2,26,29)(H,28,33)
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LIFESCI PHARMACEUTICALS, INC.

US Patent


Assay Description
A 10 mM solution of the test compound was made in DMSO. This solution was serially diluted 1:5 in DMSO to yield 2000, 400, 80, 16, 3.2, 0.64, 0.128, ...


US Patent US10301284 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM392584
PNG
(N4-((6-amino-2,4-dimethylpyridin-3- yl)methyl)-1-(...)
Show SMILES Cc1cc(N)nc(C)c1CNC(=O)c1cnn(Cc2cc(F)c3ncc(Cl)cc3c2)c1C(N)=O
Show InChI InChI=1S/C23H21ClFN7O2/c1-11-3-19(26)31-12(2)16(11)8-29-23(34)17-9-30-32(21(17)22(27)33)10-13-4-14-6-15(24)7-28-20(14)18(25)5-13/h3-7,9H,8,10H2,1-2H3,(H2,26,31)(H2,27,33)(H,29,34)
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LIFESCI PHARMACEUTICALS, INC.

US Patent


Assay Description
A 10 mM solution of the test compound was made in DMSO. This solution was serially diluted 1:5 in DMSO to yield 2000, 400, 80, 16, 3.2, 0.64, 0.128, ...


US Patent US10301284 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM392615
PNG
(US10301284, Example 102 | methyl 3-(((6-amino-2,4-...)
Show SMILES COC(=O)c1nc(nn1Cc1ccc2ncc(Cl)cc2c1)C(=O)NCc1c(C)cc(N)nc1C
Show InChI InChI=1S/C23H22ClN7O3/c1-12-6-19(25)28-13(2)17(12)10-27-22(32)20-29-21(23(33)34-3)31(30-20)11-14-4-5-18-15(7-14)8-16(24)9-26-18/h4-9H,10-11H2,1-3H3,(H2,25,28)(H,27,32)
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LIFESCI PHARMACEUTICALS, INC.

US Patent


Assay Description
A 10 mM solution of the test compound was made in DMSO. This solution was serially diluted 1:5 in DMSO to yield 2000, 400, 80, 16, 3.2, 0.64, 0.128, ...


US Patent US10301284 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM392622
PNG
(N-((6-amino-2,4-dimethylpyridin-3- yl)methyl)-1-((...)
Show SMILES Cc1cc(N)nc(C)c1CNC(=O)c1cc(nn1Cc1ccc2ncc(Cl)cc2c1)C#N
Show InChI InChI=1S/C23H20ClN7O/c1-13-5-22(26)29-14(2)19(13)11-28-23(32)21-8-18(9-25)30-31(21)12-15-3-4-20-16(6-15)7-17(24)10-27-20/h3-8,10H,11-12H2,1-2H3,(H2,26,29)(H,28,32)
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LIFESCI PHARMACEUTICALS, INC.

US Patent


Assay Description
A 10 mM solution of the test compound was made in DMSO. This solution was serially diluted 1:5 in DMSO to yield 2000, 400, 80, 16, 3.2, 0.64, 0.128, ...


US Patent US10301284 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM392645
PNG
(N-((6-amino-2,4-dimethylpyridin-3- yl)methyl)-7-((...)
Show SMILES Cc1cc(N)nc(C)c1CNC(=O)c1cn(Cc2ccc3ncc(Cl)cc3c2)c2nc[nH]c(=O)c12
Show InChI InChI=1S/C25H22ClN7O2/c1-13-5-21(27)32-14(2)18(13)9-29-24(34)19-11-33(23-22(19)25(35)31-12-30-23)10-15-3-4-20-16(6-15)7-17(26)8-28-20/h3-8,11-12H,9-10H2,1-2H3,(H2,27,32)(H,29,34)(H,30,31,35)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a>1.00E+4n/an/an/an/an/an/a



LIFESCI PHARMACEUTICALS, INC.

US Patent


Assay Description
A 10 mM solution of the test compound was made in DMSO. This solution was serially diluted 1:5 in DMSO to yield 2000, 400, 80, 16, 3.2, 0.64, 0.128, ...


US Patent US10301284 (2019)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%