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Patent code US11021463

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
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Plasma kallikrein


(Homo sapiens (Human))
BDBM283383
PNG
(N-((6-amino-2,4-dimethylpyridin-3-yl)methyl)- 2-((...)
Show SMILES Cc1cc(N)nc(C)c1CNC(=O)c1ccnc(Cc2ccc3ncc(Cl)cc3c2)c1
Show InChI InChI=1S/C24H22ClN5O/c1-14-7-23(26)30-15(2)21(14)13-29-24(31)17-5-6-27-20(11-17)9-16-3-4-22-18(8-16)10-19(25)12-28-22/h3-8,10-12H,9,13H2,1-2H3,(H2,26,30)(H,29,31)
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n/an/a<100n/an/an/an/an/an/a



ATTUNE 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 US11021463 (2021)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM283404
PNG
(N-((6-amino-2-methylpyridin-3-yl)methyl)-2- ((3-ch...)
Show SMILES Cc1nc(N)ccc1CNC(=O)c1ccnc(Cc2cc(C#N)c3ncc(Cl)cc3c2)c1
Show InChI InChI=1S/C24H19ClN6O/c1-14-17(2-3-22(27)31-14)12-30-24(32)16-4-5-28-21(10-16)8-15-6-18-9-20(25)13-29-23(18)19(7-15)11-26/h2-7,9-10,13H,8,12H2,1H3,(H2,27,31)(H,30,32)
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n/an/a<100n/an/an/an/an/an/a



ATTUNE 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 US11021463 (2021)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM283429
PNG
(6-((4-(((3-chloro-4-fluoro-1H-indol-5- yl)methyl)c...)
Show SMILES Cc1cnc2c(cc(Cc3cc(ccn3)C(=O)NCc3ccc4[nH]cc(Cl)c4c3F)cc2c1)C(N)=O
Show InChI InChI=1S/C27H21ClFN5O2/c1-14-6-18-7-15(9-20(26(30)35)25(18)33-11-14)8-19-10-16(4-5-31-19)27(36)34-12-17-2-3-22-23(24(17)29)21(28)13-32-22/h2-7,9-11,13,32H,8,12H2,1H3,(H2,30,35)(H,34,36)
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n/an/a<100n/an/an/an/an/an/a



ATTUNE 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 US11021463 (2021)

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



ATTUNE 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 US11021463 (2021)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM283441
PNG
(6-((4-(((6-amino-2,4-dimethylpyridin-3- yl)methyl)...)
Show SMILES Cc1cc(N)nc(C)c1CNC(=O)c1ccnc(Cc2cc(C(O)=O)c3ncc(Cl)cc3c2)c1
Show InChI InChI=1S/C25H22ClN5O3/c1-13-5-22(27)31-14(2)21(13)12-30-24(32)16-3-4-28-19(10-16)7-15-6-17-9-18(26)11-29-23(17)20(8-15)25(33)34/h3-6,8-11H,7,12H2,1-2H3,(H2,27,31)(H,30,32)(H,33,34)
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n/an/a<100n/an/an/an/an/an/a



ATTUNE 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 US11021463 (2021)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM500277
PNG
(N-((6-amino-2,4-dimethylpyridin-3- yl)methyl)-2-((...)
Show SMILES Cc1cc(N)nc(F)c1CNC(=O)c1ccnc(Cc2ccc3nc(ccc3c2)C#N)c1
Show InChI InChI=1S/C24H19FN6O/c1-14-8-22(27)31-23(25)20(14)13-29-24(32)17-6-7-28-19(11-17)10-15-2-5-21-16(9-15)3-4-18(12-26)30-21/h2-9,11H,10,13H2,1H3,(H2,27,31)(H,29,32)
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n/an/a<100n/an/an/an/an/an/a



ATTUNE 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 US11021463 (2021)

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



ATTUNE 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 US11021463 (2021)

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



ATTUNE 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 US11021463 (2021)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM283491
PNG
(N-((3-chloro-6-fluoro-1H-indol-5-yl)methyl)-2- ((3...)
Show SMILES Cc1cnc2ccc(Cc3cc(ccn3)C(=O)NCc3cc4c(Cl)c[nH]c4cc3F)cc2c1
Show InChI InChI=1S/C26H20ClFN4O/c1-15-6-18-7-16(2-3-24(18)30-12-15)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



ATTUNE 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 US11021463 (2021)

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



ATTUNE 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 US11021463 (2021)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM283351
PNG
(N-((1-aminoisoquinolin-6-yl)methyl)-2-((2- cyanoqu...)
Show SMILES Nc1nccc2cc(CNC(=O)c3ccnc(Cc4ccc5nc(ccc5c4)C#N)c3)ccc12
Show InChI InChI=1S/C27H20N6O/c28-15-22-4-3-20-11-17(2-6-25(20)33-22)13-23-14-21(8-9-30-23)27(34)32-16-18-1-5-24-19(12-18)7-10-31-26(24)29/h1-12,14H,13,16H2,(H2,29,31)(H,32,34)
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n/an/a<100n/an/an/an/an/an/a



ATTUNE 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 US11021463 (2021)

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



ATTUNE 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 US11021463 (2021)

More data for this
Ligand-Target Pair
Plasma kallikrein


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



ATTUNE 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 US11021463 (2021)

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



ATTUNE 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 US11021463 (2021)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM283411
PNG
(6-((4-(((6-amino-4-methylpyridin-3- yl)methyl)carb...)
Show SMILES Cc1cc(N)ncc1CNC(=O)c1ccnc(Cc2cc(C(N)=O)c3ncc(Cl)cc3c2)c1
Show InChI InChI=1S/C24H21ClN6O2/c1-13-4-21(26)29-10-17(13)11-31-24(33)15-2-3-28-19(9-15)6-14-5-16-8-18(25)12-30-22(16)20(7-14)23(27)32/h2-5,7-10,12H,6,11H2,1H3,(H2,26,29)(H2,27,32)(H,31,33)
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n/an/a<100n/an/an/an/an/an/a



ATTUNE 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 US11021463 (2021)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM283416
PNG
(N-((3-chloro-6-fluoro-1H-indol-5-yl)methyl)-2- ((3...)
Show SMILES CS(=O)(=O)c1cc(Cc2cc(ccn2)C(=O)NCc2cc3c(Cl)c[nH]c3cc2F)cc2cc(Cl)cnc12
Show InChI InChI=1S/C26H19Cl2FN4O3S/c1-37(35,36)24-6-14(4-16-7-18(27)12-32-25(16)24)5-19-8-15(2-3-30-19)26(34)33-11-17-9-20-21(28)13-31-23(20)10-22(17)29/h2-4,6-10,12-13,31H,5,11H2,1H3,(H,33,34)
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n/an/a<100n/an/an/an/an/an/a



ATTUNE 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 US11021463 (2021)

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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ATTUNE 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 US11021463 (2021)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM283423
PNG
(N-((5-chloro-1H-indazol-3-yl)methyl)-2-((8- cyano-...)
Show SMILES Cc1cnc2c(cc(Cc3cc(ccn3)C(=O)NCc3n[nH]c4ccc(Cl)cc34)cc2c1)C#N
Show InChI InChI=1S/C26H19ClN6O/c1-15-6-18-7-16(8-19(12-28)25(18)30-13-15)9-21-10-17(4-5-29-21)26(34)31-14-24-22-11-20(27)2-3-23(22)32-33-24/h2-8,10-11,13H,9,14H2,1H3,(H,31,34)(H,32,33)
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n/an/a<100n/an/an/an/an/an/a



ATTUNE 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 US11021463 (2021)

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



ATTUNE 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 US11021463 (2021)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM283452
PNG
(N-((6-amino-2,4-dimethylpyridin-3-yl)methyl)- 2-((...)
Show SMILES Cc1cc(cc(Cc2ccc3ncc(Cl)cc3c2)n1)C(=O)NCc1c(C)cc(N)nc1C
Show InChI InChI=1S/C25H24ClN5O/c1-14-6-24(27)31-16(3)22(14)13-29-25(32)19-7-15(2)30-21(11-19)9-17-4-5-23-18(8-17)10-20(26)12-28-23/h4-8,10-12H,9,13H2,1-3H3,(H2,27,31)(H,29,32)
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ATTUNE 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 US11021463 (2021)

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



ATTUNE 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 US11021463 (2021)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM283459
PNG
(N-((1-aminoisoquinolin-6-yl)methyl)-2-((2- methylq...)
Show SMILES Cc1ccc2cc(Cc3cc(ccn3)C(=O)NCc3ccc4c(N)nccc4c3)ccc2n1
Show InChI InChI=1S/C27H23N5O/c1-17-2-5-21-12-18(4-7-25(21)32-17)14-23-15-22(9-10-29-23)27(33)31-16-19-3-6-24-20(13-19)8-11-30-26(24)28/h2-13,15H,14,16H2,1H3,(H2,28,30)(H,31,33)
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n/an/a<100n/an/an/an/an/an/a



ATTUNE 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 US11021463 (2021)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM283461
PNG
(N-((6-amino-2,4-dimethylpyridin-3-yl)methyl)- 2-((...)
Show SMILES Cc1ccc2cc(Cc3cc(ccn3)C(=O)NCc3c(C)cc(N)nc3C)ccc2n1
Show InChI InChI=1S/C25H25N5O/c1-15-10-24(26)30-17(3)22(15)14-28-25(31)20-8-9-27-21(13-20)12-18-5-7-23-19(11-18)6-4-16(2)29-23/h4-11,13H,12,14H2,1-3H3,(H2,26,30)(H,28,31)
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ATTUNE 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 US11021463 (2021)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM283463
PNG
(N-((1-aminoisoquinolin-6-yl)methyl)-2-((6- methylq...)
Show SMILES Cc1ccc2ncc(Cc3cc(ccn3)C(=O)NCc3ccc4c(N)nccc4c3)cc2c1
Show InChI InChI=1S/C27H23N5O/c1-17-2-5-25-22(10-17)12-19(16-31-25)13-23-14-21(7-8-29-23)27(33)32-15-18-3-4-24-20(11-18)6-9-30-26(24)28/h2-12,14,16H,13,15H2,1H3,(H2,28,30)(H,32,33)
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ATTUNE 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 US11021463 (2021)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM283470
PNG
(N-((6-amino-2,4-dimethylpyridin-3-yl)methyl)- 2-((...)
Show SMILES Cc1cc(N)nc(C)c1CNC(=O)c1ccnc(Cc2cnc3cc(F)ccc3c2)c1
Show InChI InChI=1S/C24H22FN5O/c1-14-7-23(26)30-15(2)21(14)13-29-24(31)18-5-6-27-20(10-18)9-16-8-17-3-4-19(25)11-22(17)28-12-16/h3-8,10-12H,9,13H2,1-2H3,(H2,26,30)(H,29,31)
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ATTUNE 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 US11021463 (2021)

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)
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ATTUNE 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 US11021463 (2021)

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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ATTUNE 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 US11021463 (2021)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM283490
PNG
(N-((1-aminoisoquinolin-6-yl)methyl)-2-((3- methylq...)
Show SMILES Cc1cnc2ccc(Cc3cc(ccn3)C(=O)NCc3ccc4c(N)nccc4c3)cc2c1
Show InChI InChI=1S/C27H23N5O/c1-17-10-22-11-18(3-5-25(22)31-15-17)13-23-14-21(7-8-29-23)27(33)32-16-19-2-4-24-20(12-19)6-9-30-26(24)28/h2-12,14-15H,13,16H2,1H3,(H2,28,30)(H,32,33)
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ATTUNE 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 US11021463 (2021)

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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ATTUNE 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 US11021463 (2021)

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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ATTUNE 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 US11021463 (2021)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM283405
PNG
(N-((1-aminoisoquinolin-6-yl)methyl)-2-((3- chloro-...)
Show SMILES Nc1nccc2cc(CNC(=O)c3ccnc(Cc4cc(C#N)c5ncc(Cl)cc5c4)c3)ccc12
Show InChI InChI=1S/C27H19ClN6O/c28-22-11-20-8-17(9-21(13-29)25(20)33-15-22)10-23-12-19(4-5-31-23)27(35)34-14-16-1-2-24-18(7-16)3-6-32-26(24)30/h1-9,11-12,15H,10,14H2,(H2,30,32)(H,34,35)
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ATTUNE 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 US11021463 (2021)

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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ATTUNE 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 US11021463 (2021)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM283414
PNG
(3-chloro-6-((4-(((6-fluoro-1H-indol-5- yl)methyl)c...)
Show SMILES NC(=O)c1cc(Cc2cc(ccn2)C(=O)NCc2cc3cc[nH]c3cc2F)cc2cc(Cl)cnc12
Show InChI InChI=1S/C26H19ClFN5O2/c27-19-9-17-5-14(7-21(25(29)34)24(17)32-13-19)6-20-10-16(2-3-30-20)26(35)33-12-18-8-15-1-4-31-23(15)11-22(18)28/h1-5,7-11,13,31H,6,12H2,(H2,29,34)(H,33,35)
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ATTUNE 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 US11021463 (2021)

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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ATTUNE 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 US11021463 (2021)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM283428
PNG
(6-((4-(((3-chloro-1H-pyrrolo[2,3-b]pyridin-5- yl)m...)
Show SMILES Cc1cnc2c(cc(Cc3cc(ccn3)C(=O)NCc3cnc4[nH]cc(Cl)c4c3)cc2c1)C(N)=O
Show InChI InChI=1S/C26H21ClN6O2/c1-14-4-18-5-15(7-21(24(28)34)23(18)30-10-14)6-19-9-17(2-3-29-19)26(35)33-12-16-8-20-22(27)13-32-25(20)31-11-16/h2-5,7-11,13H,6,12H2,1H3,(H2,28,34)(H,31,32)(H,33,35)
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ATTUNE 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 US11021463 (2021)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM283440
PNG
(US10023557, Example 92 | US10266515, Example 92 | ...)
Show SMILES COC(=O)c1cc(Cc2cc(ccn2)C(=O)NCc2c(C)cc(N)nc2C)cc2cc(Cl)cnc12
Show InChI InChI=1S/C26H24ClN5O3/c1-14-6-23(28)32-15(2)22(14)13-31-25(33)17-4-5-29-20(11-17)8-16-7-18-10-19(27)12-30-24(18)21(9-16)26(34)35-3/h4-7,9-12H,8,13H2,1-3H3,(H2,28,32)(H,31,33)
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ATTUNE 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 US11021463 (2021)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM283447
PNG
(6-((4-(((6-amino-2,4-dimethylpyridin-3- yl)methyl)...)
Show SMILES Cc1cc(N)nc(C)c1CNC(=O)c1ccnc(Cc2ccc3[n+]([O-])cc(Cl)cc3c2)c1
Show InChI InChI=1S/C24H22ClN5O2/c1-14-7-23(26)29-15(2)21(14)12-28-24(31)17-5-6-27-20(11-17)9-16-3-4-22-18(8-16)10-19(25)13-30(22)32/h3-8,10-11,13H,9,12H2,1-2H3,(H2,26,29)(H,28,31)
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ATTUNE 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 US11021463 (2021)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM283450
PNG
(N-((6-amino-2,4-dimethylpyridin-3-yl)methyl)- 2-((...)
Show SMILES Cc1cc(N)nc(C)c1CNC(=O)c1ccnc(Cc2ccc3ncc(Cl)cc3c2F)c1
Show InChI InChI=1S/C24H21ClFN5O/c1-13-7-22(27)31-14(2)20(13)12-30-24(32)16-5-6-28-18(9-16)8-15-3-4-21-19(23(15)26)10-17(25)11-29-21/h3-7,9-11H,8,12H2,1-2H3,(H2,27,31)(H,30,32)
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ATTUNE 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 US11021463 (2021)

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



ATTUNE 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 US11021463 (2021)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM283467
PNG
(N-((6-amino-2,4-dimethylpyridin-3-yl)methyl)- 2-((...)
Show SMILES Cc1cc(N)nc(C)c1CNC(=O)c1ccnc(Cc2cnc3ccc(F)cc3c2)c1
Show InChI InChI=1S/C24H22FN5O/c1-14-7-23(26)30-15(2)21(14)13-29-24(31)17-5-6-27-20(11-17)9-16-8-18-10-19(25)3-4-22(18)28-12-16/h3-8,10-12H,9,13H2,1-2H3,(H2,26,30)(H,29,31)
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US Patent
n/an/a<100n/an/an/an/an/an/a



ATTUNE 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 US11021463 (2021)

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



ATTUNE 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 US11021463 (2021)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM283487
PNG
(N-((1-aminoisoquinolin-6-yl)methyl)-2-((7- chloroq...)
Show SMILES Nc1nccc2cc(CNC(=O)c3ccnc(Cc4cnc5cc(Cl)ccc5c4)c3)ccc12
Show InChI InChI=1S/C26H20ClN5O/c27-21-3-2-19-10-17(15-31-24(19)13-21)11-22-12-20(6-7-29-22)26(33)32-14-16-1-4-23-18(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



ATTUNE 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 US11021463 (2021)

More data for this
Ligand-Target Pair
Plasma kallikrein


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



ATTUNE 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 US11021463 (2021)

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



ATTUNE 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 US11021463 (2021)

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)
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US Patent
n/an/a<100n/an/an/an/an/an/a



ATTUNE 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 US11021463 (2021)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM283474
PNG
(N-((3-chloro-6-fluoro-1H-indol-5-yl)methyl)-2- ((6...)
Show SMILES Fc1cc2[nH]cc(Cl)c2cc1CNC(=O)c1ccnc(Cc2cnc3ccc(Cl)cc3c2)c1
Show InChI InChI=1S/C25H17Cl2FN4O/c26-18-1-2-23-16(7-18)5-14(11-30-23)6-19-8-15(3-4-29-19)25(33)32-12-17-9-20-21(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



ATTUNE 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 US11021463 (2021)

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



ATTUNE 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 US11021463 (2021)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM283385
PNG
(N-((5-chloro-1H-indazol-3-yl)methyl)-2-((3- chloro...)
Show SMILES Clc1ccc2[nH]nc(CNC(=O)c3ccnc(Cc4ccc5ncc(Cl)cc5c4)c3)c2c1
Show InChI InChI=1S/C24H17Cl2N5O/c25-17-2-4-22-20(11-17)23(31-30-22)13-29-24(32)15-5-6-27-19(10-15)8-14-1-3-21-16(7-14)9-18(26)12-28-21/h1-7,9-12H,8,13H2,(H,29,32)(H,30,31)
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n/an/a<100n/an/an/an/an/an/a



ATTUNE 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 US11021463 (2021)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM283402
PNG
(N-((5-chloro-1H-indazol-3-yl)methyl)-2-((3- chloro...)
Show SMILES Clc1ccc2[nH]nc(CNC(=O)c3ccnc(Cc4cc(C#N)c5ncc(Cl)cc5c4)c3)c2c1
Show InChI InChI=1S/C25H16Cl2N6O/c26-18-1-2-22-21(10-18)23(33-32-22)13-31-25(34)15-3-4-29-20(9-15)7-14-5-16-8-19(27)12-30-24(16)17(6-14)11-28/h1-6,8-10,12H,7,13H2,(H,31,34)(H,32,33)
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n/an/a<100n/an/an/an/an/an/a



ATTUNE 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 US11021463 (2021)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM283410
PNG
(6-((4-(((6-amino-2-methylpyridin-3- yl)methyl)carb...)
Show SMILES Cc1nc(N)ccc1CNC(=O)c1ccnc(Cc2cc(C(N)=O)c3ncc(Cl)cc3c2)c1
Show InChI InChI=1S/C24H21ClN6O2/c1-13-16(2-3-21(26)31-13)11-30-24(33)15-4-5-28-19(10-15)7-14-6-17-9-18(25)12-29-22(17)20(8-14)23(27)32/h2-6,8-10,12H,7,11H2,1H3,(H2,26,31)(H2,27,32)(H,30,33)
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n/an/a<100n/an/an/an/an/an/a



ATTUNE 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 US11021463 (2021)

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