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Patent code US10266515

Compile Data Set for Download or QSAR

Found 202 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))
BDBM283384
PNG
(N-((3-aminobenzo[d]isoxazol-6-yl)methyl)-2- ((3-ch...)
Show SMILES Nc1noc2cc(CNC(=O)c3ccnc(Cc4ccc5ncc(Cl)cc5c4)c3)ccc12
Show InChI InChI=1S/C24H18ClN5O2/c25-18-10-17-7-14(2-4-21(17)28-13-18)8-19-11-16(5-6-27-19)24(31)29-12-15-1-3-20-22(9-15)32-30-23(20)26/h1-7,9-11,13H,8,12H2,(H2,26,30)(H,29,31)
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n/an/a 26n/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 US10266515 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM283374
PNG
(N-((6-amino-5-cyano-2-methylpyridin-3- yl)methyl)-...)
Show SMILES Cc1nc(N)c(cc1CNC(=O)c1ccnc(Cc2ccc3ncc(Cl)cc3c2)c1)C#N
Show InChI InChI=1S/C24H19ClN6O/c1-14-19(8-18(11-26)23(27)31-14)12-30-24(32)16-4-5-28-21(10-16)7-15-2-3-22-17(6-15)9-20(25)13-29-22/h2-6,8-10,13H,7,12H2,1H3,(H2,27,31)(H,30,32)
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n/an/a 26n/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 US10266515 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM283371
PNG
(N-((6-amino-2,4-dimethylpyridin-3-yl)methyl)- 2-((...)
Show SMILES Cc1cc(N)nc(C)c1CNC(=O)c1ccnc(Cn2ccc3cc(Cl)ccc3c2=O)c1
Show InChI InChI=1S/C24H22ClN5O2/c1-14-9-22(26)29-15(2)21(14)12-28-23(31)17-5-7-27-19(11-17)13-30-8-6-16-10-18(25)3-4-20(16)24(30)32/h3-11H,12-13H2,1-2H3,(H2,26,29)(H,28,31)
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n/an/a 26n/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 US10266515 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM283395
PNG
(N-((3-aminobenzo[d]isoxazol-6-yl)methyl)-2- ((3-me...)
Show SMILES Cc1cnc2ccc(Cc3cc(ccn3)C(=O)NCc3ccc4c(N)noc4c3)cc2c1
Show InChI InChI=1S/C25H21N5O2/c1-15-8-19-9-16(3-5-22(19)28-13-15)10-20-12-18(6-7-27-20)25(31)29-14-17-2-4-21-23(11-17)32-30-24(21)26/h2-9,11-13H,10,14H2,1H3,(H2,26,30)(H,29,31)
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n/an/a 26n/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 US10266515 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM283376
PNG
(N-((6-amino-5-chloro-2-methylpyridin-3- yl)methyl)...)
Show SMILES Cc1nc(N)c(Cl)cc1CNC(=O)c1ccnc(Cc2ccc3ncc(Cl)cc3c2)c1
Show InChI InChI=1S/C23H19Cl2N5O/c1-13-17(10-20(25)22(26)30-13)11-29-23(31)15-4-5-27-19(9-15)7-14-2-3-21-16(6-14)8-18(24)12-28-21/h2-6,8-10,12H,7,11H2,1H3,(H2,26,30)(H,29,31)
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n/an/a 26n/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 US10266515 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM283380
PNG
(2-((3-chloroquinolin-6-yl)methyl)-N-((6-fluoro- 1H...)
Show SMILES Fc1cc2[nH]ncc2cc1CNC(=O)c1ccnc(Cc2ccc3ncc(Cl)cc3c2)c1
Show InChI InChI=1S/C24H17ClFN5O/c25-19-8-16-5-14(1-2-22(16)28-13-19)6-20-9-15(3-4-27-20)24(32)29-11-17-7-18-12-30-31-23(18)10-21(17)26/h1-5,7-10,12-13H,6,11H2,(H,29,32)(H,30,31)
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n/an/a 26n/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 US10266515 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM283451
PNG
(N-((6-amino-2-methylpyridin-3-yl)methyl)-2- ((3-ch...)
Show SMILES Cc1nc(N)ccc1CNC(=O)c1ccnc(Cc2ccc3ncc(Cl)cc3c2F)c1
Show InChI InChI=1S/C23H19ClFN5O/c1-13-16(3-5-21(26)30-13)11-29-23(31)15-6-7-27-18(9-15)8-14-2-4-20-19(22(14)25)10-17(24)12-28-20/h2-7,9-10,12H,8,11H2,1H3,(H2,26,30)(H,29,31)
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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 US10266515 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM283458
PNG
(N-((3-chloro-6-fluoro-1H-indol-5-yl)methyl)-2- ((2...)
Show SMILES Cc1ccc2cc(Cc3cc(ccn3)C(=O)NCc3cc4c(Cl)c[nH]c4cc3F)ccc2n1
Show InChI InChI=1S/C26H20ClFN4O/c1-15-2-4-17-8-16(3-5-24(17)32-15)9-20-10-18(6-7-29-20)26(33)31-13-19-11-21-22(27)14-30-25(21)12-23(19)28/h2-8,10-12,14,30H,9,13H2,1H3,(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 US10266515 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM283462
PNG
(N-((6-amino-2,4-dimethylpyridin-3-yl)methyl)- 2-((...)
Show SMILES Cc1ccc2ncc(Cc3cc(ccn3)C(=O)NCc3c(C)cc(N)nc3C)cc2c1
Show InChI InChI=1S/C25H25N5O/c1-15-4-5-23-20(8-15)10-18(13-28-23)11-21-12-19(6-7-27-21)25(31)29-14-22-16(2)9-24(26)30-17(22)3/h4-10,12-13H,11,14H2,1-3H3,(H2,26,30)(H,29,31)
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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 US10266515 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM283478
PNG
(N-((3-chloro-6-fluoro-1H-indol-5-yl)methyl)-2- ((2...)
Show SMILES Fc1cc2[nH]cc(Cl)c2cc1CNC(=O)c1ccnc(Cc2ccc3nc(ccc3c2)C#N)c1
Show InChI InChI=1S/C26H17ClFN5O/c27-22-14-31-25-11-23(28)18(10-21(22)25)13-32-26(34)17-5-6-30-20(9-17)8-15-1-4-24-16(7-15)2-3-19(12-29)33-24/h1-7,9-11,14,31H,8,13H2,(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 US10266515 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM283479
PNG
(N-((6-amino-2,4-dimethylpyridin-3-yl)methyl)- 2-((...)
Show SMILES Cc1cc(N)nc(C)c1CNC(=O)c1ccnc(Cc2ccc3nc(ccc3c2)C#N)c1
Show InChI InChI=1S/C25H22N6O/c1-15-9-24(27)30-16(2)22(15)14-29-25(32)19-7-8-28-21(12-19)11-17-3-6-23-18(10-17)4-5-20(13-26)31-23/h3-10,12H,11,14H2,1-2H3,(H2,27,30)(H,29,32)
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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 US10266515 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM283480
PNG
(N-((1-aminoisoquinolin-6-yl)methyl)-2-((3- methyli...)
Show SMILES Cc1cc2cc(Cc3cc(ccn3)C(=O)NCc3ccc4c(N)nccc4c3)ccc2cn1
Show InChI InChI=1S/C27H23N5O/c1-17-10-23-11-18(2-4-22(23)16-31-17)13-24-14-21(7-8-29-24)27(33)32-15-19-3-5-25-20(12-19)6-9-30-26(25)28/h2-12,14,16H,13,15H2,1H3,(H2,28,30)(H,32,33)
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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 US10266515 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM283379
PNG
(N-((1-aminoisoquinolin-6-yl)methyl)-2-((3- chloroq...)
Show SMILES Nc1nccc2cc(CNC(=O)c3ccnc(Cc4ccc5ncc(Cl)cc5c4)c3)ccc12
Show InChI InChI=1S/C26H20ClN5O/c27-21-12-20-9-16(2-4-24(20)31-15-21)11-22-13-19(6-7-29-22)26(33)32-14-17-1-3-23-18(10-17)5-8-30-25(23)28/h1-10,12-13,15H,11,14H2,(H2,28,30)(H,32,33)
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n/an/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 US10266515 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM283354
PNG
(N-((1-aminoisoquinolin-6-yl)methyl)-2-((3- cyanoqu...)
Show SMILES Nc1nccc2cc(CNC(=O)c3ccnc(Cc4ccc5ncc(cc5c4)C#N)c3)ccc12
Show InChI InChI=1S/C27H20N6O/c28-14-19-11-22-9-17(2-4-25(22)32-16-19)12-23-13-21(6-7-30-23)27(34)33-15-18-1-3-24-20(10-18)5-8-31-26(24)29/h1-11,13,16H,12,15H2,(H2,29,31)(H,33,34)
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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 US10266515 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM283367
PNG
(N-((3-chloro-1H-pyrrolo[2,3-b]pyridin-5- yl)methyl...)
Show SMILES Cc1cnc2c(cc(Cc3cc(ccn3)C(=O)NCc3cnc4[nH]cc(Cl)c4c3)cc2c1)S(C)(=O)=O
Show InChI InChI=1S/C26H22ClN5O3S/c1-15-5-19-6-16(9-23(36(2,34)35)24(19)29-11-15)7-20-10-18(3-4-28-20)26(33)32-13-17-8-21-22(27)14-31-25(21)30-12-17/h3-6,8-12,14H,7,13H2,1-2H3,(H,30,31)(H,32,33)
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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 US10266515 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM283406
PNG
(6-((4-(((6-amino-2,4-dimethylpyridin-3- yl)methyl)...)
Show SMILES Cc1cc(N)nc(C)c1CNC(=O)c1ccnc(Cc2cc(C(N)=O)c3ncc(Cl)cc3c2)c1
Show InChI InChI=1S/C25H23ClN6O2/c1-13-5-22(27)32-14(2)21(13)12-31-25(34)16-3-4-29-19(10-16)7-15-6-17-9-18(26)11-30-23(17)20(8-15)24(28)33/h3-6,8-11H,7,12H2,1-2H3,(H2,27,32)(H2,28,33)(H,31,34)
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n/an/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 US10266515 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM283449
PNG
(N-((6-amino-2-methylpyridin-3-yl)methyl)-2- ((3,8-...)
Show SMILES Cc1nc(N)ccc1CNC(=O)c1ccnc(Cc2cc(Cl)c3ncc(Cl)cc3c2)c1
Show InChI InChI=1S/C23H19Cl2N5O/c1-13-16(2-3-21(26)30-13)11-29-23(31)15-4-5-27-19(10-15)7-14-6-17-9-18(24)12-28-22(17)20(25)8-14/h2-6,8-10,12H,7,11H2,1H3,(H2,26,30)(H,29,31)
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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 US10266515 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM283454
PNG
(N-((6-amino-2,4-dimethylpyridin-3-yl)methyl)- 2-((...)
Show SMILES Cc1cc(N)nc(C)c1CNC(=O)c1ccnc(Cn2cc3cc(Cl)ccc3n2)c1
Show InChI InChI=1S/C22H21ClN6O/c1-13-7-21(24)27-14(2)19(13)10-26-22(30)15-5-6-25-18(9-15)12-29-11-16-8-17(23)3-4-20(16)28-29/h3-9,11H,10,12H2,1-2H3,(H2,24,27)(H,26,30)
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 US10266515 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM283468
PNG
(N-((3-chloro-6-fluoro-1H-indol-5-yl)methyl)-2- ((6...)
Show SMILES Fc1ccc2ncc(Cc3cc(ccn3)C(=O)NCc3cc4c(Cl)c[nH]c4cc3F)cc2c1
Show InChI InChI=1S/C25H17ClF2N4O/c26-21-13-31-24-10-22(28)17(9-20(21)24)12-32-25(33)15-3-4-29-19(8-15)6-14-5-16-7-18(27)1-2-23(16)30-11-14/h1-5,7-11,13,31H,6,12H2,(H,32,33)
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 US10266515 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM283471
PNG
(N-((3-chloro-6-fluoro-1H-indol-5-yl)methyl)-2- ((7...)
Show SMILES Fc1ccc2cc(Cc3cc(ccn3)C(=O)NCc3cc4c(Cl)c[nH]c4cc3F)cnc2c1
Show InChI InChI=1S/C25H17ClF2N4O/c26-21-13-31-24-10-22(28)17(8-20(21)24)12-32-25(33)16-3-4-29-19(7-16)6-14-5-15-1-2-18(27)9-23(15)30-11-14/h1-5,7-11,13,31H,6,12H2,(H,32,33)
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 US10266515 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM283476
PNG
(N-((3-chloro-6-fluoro-1H-indol-5-yl)methyl)-2- ((2...)
Show SMILES Cc1ccc2ccc(Cc3cc(ccn3)C(=O)NCc3cc4c(Cl)c[nH]c4cc3F)cc2n1
Show InChI InChI=1S/C26H20ClFN4O/c1-15-2-4-17-5-3-16(9-24(17)32-15)8-20-10-18(6-7-29-20)26(33)31-13-19-11-21-22(27)14-30-25(21)12-23(19)28/h2-7,9-12,14,30H,8,13H2,1H3,(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 US10266515 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM283492
PNG
(N-((6-amino-2,4-dimethylpyridin-3-yl)methyl)- 2-((...)
Show SMILES Cc1cnc2ccc(Cc3cc(ccn3)C(=O)NCc3c(C)cc(N)nc3C)cc2c1
Show InChI InChI=1S/C25H25N5O/c1-15-8-20-10-18(4-5-23(20)28-13-15)11-21-12-19(6-7-27-21)25(31)29-14-22-16(2)9-24(26)30-17(22)3/h4-10,12-13H,11,14H2,1-3H3,(H2,26,30)(H,29,31)
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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 US10266515 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM283353
PNG
(N-((3-chloro-6-fluoro-1H-indol-5-yl)methyl)-2- ((3...)
Show SMILES Fc1cc2[nH]cc(Cl)c2cc1CNC(=O)c1ccnc(Cc2ccc3ncc(cc3c2)C#N)c1
Show InChI InChI=1S/C26H17ClFN5O/c27-22-14-32-25-10-23(28)19(9-21(22)25)13-33-26(34)17-3-4-30-20(8-17)7-15-1-2-24-18(5-15)6-16(11-29)12-31-24/h1-6,8-10,12,14,32H,7,13H2,(H,33,34)
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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 US10266515 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM283368
PNG
(N-((5-chloro-1H-indazol-3-yl)methyl)-2-((3- methyl...)
Show SMILES Cc1cnc2c(cc(Cc3cc(ccn3)C(=O)NCc3n[nH]c4ccc(Cl)cc34)cc2c1)S(C)(=O)=O
Show InChI InChI=1S/C26H22ClN5O3S/c1-15-7-18-8-16(10-24(36(2,34)35)25(18)29-13-15)9-20-11-17(5-6-28-20)26(33)30-14-23-21-12-19(27)3-4-22(21)31-32-23/h3-8,10-13H,9,14H2,1-2H3,(H,30,33)(H,31,32)
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n/an/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 US10266515 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM283369
PNG
(N-((3-chloro-4-fluoro-1H-indol-5-yl)methyl)-2- ((3...)
Show SMILES Cc1cnc2c(cc(Cc3cc(ccn3)C(=O)NCc3ccc4[nH]cc(Cl)c4c3F)cc2c1)S(C)(=O)=O
Show InChI InChI=1S/C27H22ClFN4O3S/c1-15-7-19-8-16(10-23(37(2,35)36)26(19)32-12-15)9-20-11-17(5-6-30-20)27(34)33-13-18-3-4-22-24(25(18)29)21(28)14-31-22/h3-8,10-12,14,31H,9,13H2,1-2H3,(H,33,34)
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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 US10266515 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM283389
PNG
(2-((3-chloroquinolin-6-yl)methyl)-N-((6-fluoro- 1H...)
Show SMILES Fc1cc2[nH]ccc2cc1CNC(=O)c1ccnc(Cc2ccc3ncc(Cl)cc3c2)c1
Show InChI InChI=1S/C25H18ClFN4O/c26-20-10-18-7-15(1-2-23(18)30-14-20)8-21-11-17(4-5-28-21)25(32)31-13-19-9-16-3-6-29-24(16)12-22(19)27/h1-7,9-12,14,29H,8,13H2,(H,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 US10266515 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM283394
PNG
(N-((6-amino-2,4-dimethylpyridin-3-yl)methyl)- 2-((...)
Show SMILES Cc1cc(N)nc(C)c1CNC(=O)c1ccnc(Cc2ccc3nc(CN)ccc3c2)c1
Show InChI InChI=1S/C25H26N6O/c1-15-9-24(27)30-16(2)22(15)14-29-25(32)19-7-8-28-21(12-19)11-17-3-6-23-18(10-17)4-5-20(13-26)31-23/h3-10,12H,11,13-14,26H2,1-2H3,(H2,27,30)(H,29,32)
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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 US10266515 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM377943
PNG
(N-((3-chloro-6-fluoro-1H-indol-5- yl)methyl)-2-((8...)
Show SMILES Cc1cnc2c(cc(Cc3cc(ccn3)C(=O)NCc3ccc4[nH]cc(Cl)c4c3)cc2c1)C#N
Show InChI InChI=1S/C27H20ClN5O/c1-16-6-20-7-18(8-21(12-29)26(20)32-13-16)9-22-11-19(4-5-30-22)27(34)33-14-17-2-3-25-23(10-17)24(28)15-31-25/h2-8,10-11,13,15,31H,9,14H2,1H3,(H,33,34)
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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 US10266515 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM283421
PNG
(N-((3-chloro-1H-pyrrolo[2,3-b]pyridin-5- yl)methyl...)
Show SMILES Cc1cnc2c(cc(Cc3cc(ccn3)C(=O)NCc3cnc4[nH]cc(Cl)c4c3)cc2c1)C#N
Show InChI InChI=1S/C26H19ClN6O/c1-15-4-19-5-16(6-20(10-28)24(19)30-11-15)7-21-9-18(2-3-29-21)26(34)33-13-17-8-22-23(27)14-32-25(22)31-12-17/h2-6,8-9,11-12,14H,7,13H2,1H3,(H,31,32)(H,33,34)
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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 US10266515 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM283422
PNG
(N-((3-chloro-4-fluoro-1H-indol-5-yl)methyl)-2- ((8...)
Show SMILES Cc1cnc2c(cc(Cc3cc(ccn3)C(=O)NCc3ccc4[nH]cc(Cl)c4c3F)cc2c1)C#N
Show InChI InChI=1S/C27H19ClFN5O/c1-15-6-19-7-16(8-20(11-30)26(19)33-12-15)9-21-10-17(4-5-31-21)27(35)34-13-18-2-3-23-24(25(18)29)22(28)14-32-23/h2-8,10,12,14,32H,9,13H2,1H3,(H,34,35)
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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 US10266515 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM283443
PNG
(US10023557, Example 95 | US10266515, Example 95 | ...)
Show SMILES COC(=O)c1cc(Cc2cc(ccn2)C(=O)NCc2ccc(N)nc2C)cc2cc(Cl)cnc12
Show InChI InChI=1S/C25H22ClN5O3/c1-14-17(3-4-22(27)31-14)12-30-24(32)16-5-6-28-20(11-16)8-15-7-18-10-19(26)13-29-23(18)21(9-15)25(33)34-2/h3-7,9-11,13H,8,12H2,1-2H3,(H2,27,31)(H,30,32)
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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 US10266515 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM283448
PNG
(N-((6-amino-2,4-dimethylpyridin-3-yl)methyl)- 2-((...)
Show SMILES Cc1cc(N)nc(C)c1CNC(=O)c1ccnc(Cc2cc(Cl)c3ncc(Cl)cc3c2)c1
Show InChI InChI=1S/C24H21Cl2N5O/c1-13-5-22(27)31-14(2)20(13)12-30-24(32)16-3-4-28-19(10-16)7-15-6-17-9-18(25)11-29-23(17)21(26)8-15/h3-6,8-11H,7,12H2,1-2H3,(H2,27,31)(H,30,32)
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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 US10266515 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM283456
PNG
(N-((6-amino-2,4-dimethylpyridin-3-yl)methyl)- 2-((...)
Show SMILES Cc1ccc2n(Cc3cc(ccn3)C(=O)NCc3c(C)cc(N)nc3C)ncc2c1
Show InChI InChI=1S/C23H24N6O/c1-14-4-5-21-18(8-14)11-27-29(21)13-19-10-17(6-7-25-19)23(30)26-12-20-15(2)9-22(24)28-16(20)3/h4-11H,12-13H2,1-3H3,(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 US10266515 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM283464
PNG
(N-((3-chloro-6-fluoro-1H-indol-5-yl)methyl)-2- ((6...)
Show SMILES Cc1ccc2ncc(Cc3cc(ccn3)C(=O)NCc3cc4c(Cl)c[nH]c4cc3F)cc2c1
Show InChI InChI=1S/C26H20ClFN4O/c1-15-2-3-24-18(6-15)7-16(12-30-24)8-20-9-17(4-5-29-20)26(33)32-13-19-10-21-22(27)14-31-25(21)11-23(19)28/h2-7,9-12,14,31H,8,13H2,1H3,(H,32,33)
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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 US10266515 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM283469
PNG
(N-((6-amino-2-methylpyridin-3-yl)methyl)-2- ((6-fl...)
Show SMILES Cc1nc(N)ccc1CNC(=O)c1ccnc(Cc2cnc3ccc(F)cc3c2)c1
Show InChI InChI=1S/C23H20FN5O/c1-14-17(2-5-22(25)29-14)13-28-23(30)16-6-7-26-20(11-16)9-15-8-18-10-19(24)3-4-21(18)27-12-15/h2-8,10-12H,9,13H2,1H3,(H2,25,29)(H,28,30)
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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 US10266515 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM283493
PNG
(N-((6-amino-2,4-dimethylpyridin-3-yl)methyl)- 2-((...)
Show SMILES Cc1cc2cc(Cc3cc(ccn3)C(=O)NCc3c(C)cc(N)nc3C)ccc2cn1
Show InChI InChI=1S/C25H25N5O/c1-15-8-24(26)30-17(3)23(15)14-29-25(31)19-6-7-27-22(12-19)11-18-4-5-20-13-28-16(2)9-21(20)10-18/h4-10,12-13H,11,14H2,1-3H3,(H2,26,30)(H,29,31)
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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 US10266515 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM283386
PNG
(N-((3-chloro-1H-pyrrolo[2,3-b]pyridin-5- yl)methyl...)
Show SMILES Clc1c[nH]c2ncc(CNC(=O)c3ccnc(Cc4ccc5ncc(Cl)cc5c4)c3)cc12
Show InChI InChI=1S/C24H17Cl2N5O/c25-18-8-17-5-14(1-2-22(17)28-12-18)6-19-9-16(3-4-27-19)24(32)31-11-15-7-20-21(26)13-30-23(20)29-10-15/h1-5,7-10,12-13H,6,11H2,(H,29,30)(H,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 US10266515 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM283408
PNG
(3-chloro-6-((4-(((5-chloro-1H-indazol-3- yl)methyl...)
Show SMILES NC(=O)c1cc(Cc2cc(ccn2)C(=O)NCc2n[nH]c3ccc(Cl)cc23)cc2cc(Cl)cnc12
Show InChI InChI=1S/C25H18Cl2N6O2/c26-16-1-2-21-19(10-16)22(33-32-21)12-31-25(35)14-3-4-29-18(9-14)6-13-5-15-8-17(27)11-30-23(15)20(7-13)24(28)34/h1-5,7-11H,6,12H2,(H2,28,34)(H,31,35)(H,32,33)
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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 US10266515 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM283412
PNG
(6-((4-(((1-aminoisoquinolin-6- yl)methyl)carbamoyl...)
Show SMILES NC(=O)c1cc(Cc2cc(ccn2)C(=O)NCc2ccc3c(N)nccc3c2)cc2cc(Cl)cnc12
Show InChI InChI=1S/C27H21ClN6O2/c28-20-11-19-8-16(10-23(26(30)35)24(19)33-14-20)9-21-12-18(4-5-31-21)27(36)34-13-15-1-2-22-17(7-15)3-6-32-25(22)29/h1-8,10-12,14H,9,13H2,(H2,29,32)(H2,30,35)(H,34,36)
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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 US10266515 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM283419
PNG
(N-((1-aminoisoquinolin-6-yl)methyl)-2-((8- cyano-3...)
Show SMILES Cc1cnc2c(cc(Cc3cc(ccn3)C(=O)NCc3ccc4c(N)nccc4c3)cc2c1)C#N
Show InChI InChI=1S/C28H22N6O/c1-17-8-22-10-19(11-23(14-29)26(22)33-15-17)12-24-13-21(5-6-31-24)28(35)34-16-18-2-3-25-20(9-18)4-7-32-27(25)30/h2-11,13,15H,12,16H2,1H3,(H2,30,32)(H,34,35)
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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 US10266515 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM283424
PNG
(2-((8-cyano-3-methylquinolin-6-yl)methyl)-N- ((6-f...)
Show SMILES Cc1cnc2c(cc(Cc3cc(ccn3)C(=O)NCc3cc4cc[nH]c4cc3F)cc2c1)C#N
Show InChI InChI=1S/C27H20FN5O/c1-16-6-20-7-17(8-21(13-29)26(20)32-14-16)9-23-11-19(3-4-30-23)27(34)33-15-22-10-18-2-5-31-25(18)12-24(22)28/h2-8,10-12,14,31H,9,15H2,1H3,(H,33,34)
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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 US10266515 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM283431
PNG
(6-((4-(((6-fluoro-1H-indol-5- yl)methyl)carbamoyl)...)
Show SMILES Cc1cnc2c(cc(Cc3cc(ccn3)C(=O)NCc3cc4cc[nH]c4cc3F)cc2c1)C(N)=O
Show InChI InChI=1S/C27H22FN5O2/c1-15-6-19-7-16(9-22(26(29)34)25(19)32-13-15)8-21-11-18(3-4-30-21)27(35)33-14-20-10-17-2-5-31-24(17)12-23(20)28/h2-7,9-13,31H,8,14H2,1H3,(H2,29,34)(H,33,35)
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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 US10266515 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM283437
PNG
(N-((6-amino-2,4-dimethylpyridin-3-yl)methyl)- 2-((...)
Show SMILES Cc1cc(N)nc(C)c1CNC(=O)c1ccnc(Cc2cc(F)c3ncc(Cl)cc3c2)c1
Show InChI InChI=1S/C24H21ClFN5O/c1-13-5-22(27)31-14(2)20(13)12-30-24(32)16-3-4-28-19(10-16)7-15-6-17-9-18(25)11-29-23(17)21(26)8-15/h3-6,8-11H,7,12H2,1-2H3,(H2,27,31)(H,30,32)
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n/an/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 US10266515 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM377976
PNG
(N-((6-amino-2,4-dimethylpyridin-3- yl)methyl)-2-((...)
Show SMILES Cc1cc(N)nc(C)c1CNC(=O)c1ccnc(Cn2ccc3cc(Cl)ccc23)c1
Show InChI InChI=1S/C23H22ClN5O/c1-14-9-22(25)28-15(2)20(14)12-27-23(30)17-5-7-26-19(11-17)13-29-8-6-16-10-18(24)3-4-21(16)29/h3-11H,12-13H2,1-2H3,(H2,25,28)(H,27,30)
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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 US10266515 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM283465
PNG
(N-((6-amino-2-methylpyridin-3-yl)methyl)-2- ((6-me...)
Show SMILES Cc1ccc2ncc(Cc3cc(ccn3)C(=O)NCc3ccc(N)nc3C)cc2c1
Show InChI InChI=1S/C24H23N5O/c1-15-3-5-22-20(9-15)10-17(13-27-22)11-21-12-18(7-8-26-21)24(30)28-14-19-4-6-23(25)29-16(19)2/h3-10,12-13H,11,14H2,1-2H3,(H2,25,29)(H,28,30)
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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 US10266515 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM283466
PNG
(N-((1-aminoisoquinolin-6-yl)methyl)-2-((6- fluoroq...)
Show SMILES Nc1nccc2cc(CNC(=O)c3ccnc(Cc4cnc5ccc(F)cc5c4)c3)ccc12
Show InChI InChI=1S/C26H20FN5O/c27-21-2-4-24-20(12-21)10-17(15-31-24)11-22-13-19(6-7-29-22)26(33)32-14-16-1-3-23-18(9-16)5-8-30-25(23)28/h1-10,12-13,15H,11,14H2,(H2,28,30)(H,32,33)
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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 US10266515 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM283481
PNG
(N-((3-chloro-6-fluoro-1H-indol-5-yl)methyl)-2- ((3...)
Show SMILES Cc1cc2cc(Cc3cc(ccn3)C(=O)NCc3cc4c(Cl)c[nH]c4cc3F)ccc2cn1
Show InChI InChI=1S/C26H20ClFN4O/c1-15-6-19-7-16(2-3-18(19)12-30-15)8-21-9-17(4-5-29-21)26(33)32-13-20-10-22-23(27)14-31-25(22)11-24(20)28/h2-7,9-12,14,31H,8,13H2,1H3,(H,32,33)
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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 US10266515 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM378009
PNG
(N-((6-amino-2,4-dimethylpyridin-3- yl)methyl)-2-((...)
Show SMILES Cc1cc(N)nc(C)c1CNC(=O)c1ccnc(Cc2ccc3nccc(C#N)c3c2)c1
Show InChI InChI=1S/C25H22N6O/c1-15-9-24(27)31-16(2)22(15)14-30-25(32)18-5-7-28-20(12-18)10-17-3-4-23-21(11-17)19(13-26)6-8-29-23/h3-9,11-12H,10,14H2,1-2H3,(H2,27,31)(H,30,32)
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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 US10266515 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM283488
PNG
(N-((3-chloro-6-fluoro-1H-indol-5-yl)methyl)-2- ((7...)
Show SMILES Fc1cc2[nH]cc(Cl)c2cc1CNC(=O)c1ccnc(Cc2cnc3cc(Cl)ccc3c2)c1
Show InChI InChI=1S/C25H17Cl2FN4O/c26-18-2-1-15-5-14(11-30-23(15)9-18)6-19-7-16(3-4-29-19)25(33)32-12-17-8-20-21(27)13-31-24(20)10-22(17)28/h1-5,7-11,13,31H,6,12H2,(H,32,33)
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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 US10266515 (2019)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM283355
PNG
(N-((6-amino-2,4-dimethylpyridin-3-yl)methyl)- 2-((...)
Show SMILES Cc1cc(N)nc(C)c1CNC(=O)c1ccnc(Cc2ccc3ncc(cc3c2)C#N)c1
Show InChI InChI=1S/C25H22N6O/c1-15-7-24(27)31-16(2)22(15)14-30-25(32)19-5-6-28-21(11-19)10-17-3-4-23-20(8-17)9-18(12-26)13-29-23/h3-9,11,13H,10,14H2,1-2H3,(H2,27,31)(H,30,32)
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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 US10266515 (2019)

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