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Patent code US10023557

Compile Data Set for Download or QSAR

Found 451 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))
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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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 US10023557 (2018)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM283463
PNG
(N-((1-aminoisoquinolin-6-yl)methyl)-2-((6- methylq...)
Show SMILES Cc1ccc2ncc(Cc3cc(ccn3)C(=O)NCc3ccc4c(N)nccc4c3)cc2c1
Show InChI InChI=1S/C27H23N5O/c1-17-2-5-25-22(10-17)12-19(16-31-25)13-23-14-21(7-8-29-23)27(33)32-15-18-3-4-24-20(11-18)6-9-30-26(24)28/h2-12,14,16H,13,15H2,1H3,(H2,28,30)(H,32,33)
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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 US10023557 (2018)

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
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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 US10023557 (2018)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM283534
PNG
(N-((1-amino-7-methylisoquinolin-6-yl)methyl)- 2-((...)
Show SMILES Cc1cc2c(N)nccc2cc1CNC(=O)c1ccnc(Cc2ccc3ncc(cc3c2)C(F)(F)F)c1
Show InChI InChI=1S/C28H22F3N5O/c1-16-8-24-18(4-7-34-26(24)32)11-21(16)14-36-27(37)19-5-6-33-23(13-19)10-17-2-3-25-20(9-17)12-22(15-35-25)28(29,30)31/h2-9,11-13,15H,10,14H2,1H3,(H2,32,34)(H,36,37)
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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 US10023557 (2018)

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)
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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 US10023557 (2018)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM283555
PNG
(N-((6-amino-2,4-dimethylpyridin-3-yl)methyl)- 2-((...)
Show SMILES Cc1cc(N)nc(C)c1CNC(=O)c1ccnc(Cc2cnc3ncc(Cl)cc3c2)c1
Show InChI InChI=1S/C23H21ClN6O/c1-13-5-21(25)30-14(2)20(13)12-29-23(31)16-3-4-26-19(9-16)7-15-6-17-8-18(24)11-28-22(17)27-10-15/h3-6,8-11H,7,12H2,1-2H3,(H2,25,30)(H,29,31)
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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 US10023557 (2018)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM283559
PNG
(N4-((6-amino-2,4-dimethylpyridin-3-yl)methyl)- 6-(...)
Show SMILES Cc1cc(N)nc(C)c1CNC(=O)c1cc(Cc2ccc3ncc(Cl)cc3c2)nc(c1)C(N)=O
Show InChI InChI=1S/C25H23ClN6O2/c1-13-5-23(27)31-14(2)20(13)12-30-25(34)17-9-19(32-22(10-17)24(28)33)7-15-3-4-21-16(6-15)8-18(26)11-29-21/h3-6,8-11H,7,12H2,1-2H3,(H2,27,31)(H2,28,33)(H,30,34)
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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 US10023557 (2018)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM283562
PNG
(N-((6-amino-2,4-dimethylpyridin-3-yl)methyl)- 2-(a...)
Show SMILES Cc1cc(N)nc(C)c1CNC(=O)c1cc(CN)nc(Cc2ccc3ncc(Cl)cc3c2)c1
Show InChI InChI=1S/C25H25ClN6O/c1-14-5-24(28)31-15(2)22(14)13-30-25(33)18-9-20(32-21(10-18)11-27)7-16-3-4-23-17(6-16)8-19(26)12-29-23/h3-6,8-10,12H,7,11,13,27H2,1-2H3,(H2,28,31)(H,30,33)
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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 US10023557 (2018)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM283573
PNG
(N-((3-chloro-4-fluoro-1H-indol-5-yl)methyl)-2- ((3...)
Show SMILES CC(C)(O)c1cc(Cc2cc(ccn2)C(=O)NCc2ccc3[nH]cc(Cl)c3c2F)cc2cc(Cl)cnc12
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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 US10023557 (2018)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM283575
PNG
(N-((3-chloro-1H-pyrrolo[2,3-b]pyridin-5- yl)methyl...)
Show SMILES CC(C)(O)c1cc(Cc2cc(ccn2)C(=O)NCc2cnc3[nH]cc(Cl)c3c2)cc2cc(Cl)cnc12
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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 US10023557 (2018)

More data for this
Ligand-Target Pair
Plasma kallikrein


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

US Patent


Assay Description
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 US10023557 (2018)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM283617
PNG
(N-((6-amino-2,4-dimethylpyridin-3-yl)methyl)- 2-((...)
Show SMILES COc1cnc2ccc(Cc3cc(ccn3)C(=O)NCc3c(C)cc(N)nc3C)cc2c1
Show InChI InChI=1S/C25H25N5O2/c1-15-8-24(26)30-16(2)22(15)14-29-25(31)18-6-7-27-20(11-18)10-17-4-5-23-19(9-17)12-21(32-3)13-28-23/h4-9,11-13H,10,14H2,1-3H3,(H2,26,30)(H,29,31)
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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 US10023557 (2018)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM283632
PNG
(N-((6-amino-2-methylpyridin-3-yl)methyl)-2- ((3-(2...)
Show SMILES Cc1nc(N)ccc1CNC(=O)c1ccnc(Cc2ccc3ncc(CC(F)F)cc3c2)c1
Show InChI InChI=1S/C25H23F2N5O/c1-15-19(3-5-24(28)32-15)14-31-25(33)18-6-7-29-21(12-18)10-16-2-4-22-20(8-16)9-17(13-30-22)11-23(26)27/h2-9,12-13,23H,10-11,14H2,1H3,(H2,28,32)(H,31,33)
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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 US10023557 (2018)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM283640
PNG
(N-((3-chloro-6-fluoro-1H-indol-5-yl)methyl)-2- ((3...)
Show SMILES Cc1cnc2c(cc(Cc3cc(ccn3)C(=O)NCc3cc4c(Cl)c[nH]c4cc3F)cc2c1)S(N)(=O)=O
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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 US10023557 (2018)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM283661
PNG
(N-((1-aminoisoquinolin-6-yl)methyl)-2-((3- (pyrrol...)
Show SMILES Nc1nccc2cc(CNC(=O)c3ccnc(Cc4ccc5ncc(cc5c4)N4CCCC4)c3)ccc12
Show InChI InChI=1S/C30H28N6O/c31-29-27-5-3-21(14-22(27)7-10-33-29)18-35-30(37)23-8-9-32-25(16-23)15-20-4-6-28-24(13-20)17-26(19-34-28)36-11-1-2-12-36/h3-10,13-14,16-17,19H,1-2,11-12,15,18H2,(H2,31,33)(H,35,37)
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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 US10023557 (2018)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM283460
PNG
(N-((6-amino-2-methylpyridin-3-yl)methyl)-2- ((2-me...)
Show SMILES Cc1ccc2cc(Cc3cc(ccn3)C(=O)NCc3ccc(N)nc3C)ccc2n1
Show InChI InChI=1S/C24H23N5O/c1-15-3-5-18-11-17(4-7-22(18)28-15)12-21-13-19(9-10-26-21)24(30)27-14-20-6-8-23(25)29-16(20)2/h3-11,13H,12,14H2,1-2H3,(H2,25,29)(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 US10023557 (2018)

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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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 US10023557 (2018)

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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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 US10023557 (2018)

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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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 US10023557 (2018)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM283473
PNG
(N-((3-chloro-6-fluoro-1H-indol-5-yl)methyl)-2- (qu...)
Show SMILES Fc1cc2[nH]cc(Cl)c2cc1CNC(=O)c1ccnc(Cc2cnc3ccccc3c2)c1
PDB

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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 US10023557 (2018)

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)
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 US10023557 (2018)

More data for this
Ligand-Target Pair
Plasma kallikrein


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

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n/an/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 US10023557 (2018)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM283529
PNG
(N-((1-amino-5-fluoroisoquinolin-6-yl)methyl)-2- ((...)
Show SMILES Nc1nccc2c(F)c(CNC(=O)c3ccnc(Cc4ccc5ncc(Cl)cc5c4)c3)ccc12
Show InChI InChI=1S/C26H19ClFN5O/c27-19-11-18-9-15(1-4-23(18)32-14-19)10-20-12-16(5-7-30-20)26(34)33-13-17-2-3-22-21(24(17)28)6-8-31-25(22)29/h1-9,11-12,14H,10,13H2,(H2,29,31)(H,33,34)
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n/an/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 US10023557 (2018)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM283532
PNG
(N-((1-amino-7-methylisoquinolin-6-yl)methyl)- 2-((...)
Show SMILES Cc1cc2c(N)nccc2cc1CNC(=O)c1ccnc(Cc2ccc3ncc(Cl)cc3c2)c1
Show InChI InChI=1S/C27H22ClN5O/c1-16-8-24-18(4-7-31-26(24)29)11-21(16)14-33-27(34)19-5-6-30-23(13-19)10-17-2-3-25-20(9-17)12-22(28)15-32-25/h2-9,11-13,15H,10,14H2,1H3,(H2,29,31)(H,33,34)
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n/an/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 US10023557 (2018)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM283542
PNG
(N-((3-chloro-6-methyl-1H-pyrrolo[2,3- b]pyridin-5-...)
Show SMILES Cc1nc2[nH]cc(Cl)c2cc1CNC(=O)c1ccnc(Cc2ccc3ncc(Cl)cc3c2)c1
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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 US10023557 (2018)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM283452
PNG
(N-((6-amino-2,4-dimethylpyridin-3-yl)methyl)- 2-((...)
Show SMILES Cc1cc(cc(Cc2ccc3ncc(Cl)cc3c2)n1)C(=O)NCc1c(C)cc(N)nc1C
Show InChI InChI=1S/C25H24ClN5O/c1-14-6-24(27)31-16(3)22(14)13-29-25(32)19-7-15(2)30-21(11-19)9-17-4-5-23-18(8-17)10-20(26)12-28-23/h4-8,10-12H,9,13H2,1-3H3,(H2,27,31)(H,29,32)
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n/an/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 US10023557 (2018)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM283552
PNG
(N-((6-amino-2,4-dimethylpyridin-3-yl)methyl)- 2-((...)
Show SMILES CC1=CC2C=NN(Cc3cc(ccn3)C(=O)NCc3c(C)cc(N)nc3C)C2C=C1
Show InChI InChI=1S/C23H26N6O/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/h4-11,18,21H,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 US10023557 (2018)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM283559
PNG
(N4-((6-amino-2,4-dimethylpyridin-3-yl)methyl)- 6-(...)
Show SMILES Cc1cc(N)nc(C)c1CNC(=O)c1cc(Cc2ccc3ncc(Cl)cc3c2)nc(c1)C(N)=O
Show InChI InChI=1S/C25H23ClN6O2/c1-13-5-23(27)31-14(2)20(13)12-30-25(34)17-9-19(32-22(10-17)24(28)33)7-15-3-4-21-16(6-15)8-18(26)11-29-21/h3-6,8-11H,7,12H2,1-2H3,(H2,27,31)(H2,28,33)(H,30,34)
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n/an/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 US10023557 (2018)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM283561
PNG
(N-((6-amino-2,4-dimethylpyridin-3-yl)methyl)- 2-((...)
Show SMILES Cc1cc(N)nc(C)c1CNC(=O)c1cc(Cc2ccc3ncc(Cl)cc3c2)nc(c1)C(C)(C)O
Show InChI InChI=1S/C27H28ClN5O2/c1-15-7-25(29)32-16(2)22(15)14-31-26(34)19-11-21(33-24(12-19)27(3,4)35)9-17-5-6-23-18(8-17)10-20(28)13-30-23/h5-8,10-13,35H,9,14H2,1-4H3,(H2,29,32)(H,31,34)
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n/an/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 US10023557 (2018)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM283569
PNG
(N-((6-amino-2-methylpyridin-3-yl)methyl)-2- ((8-am...)
Show SMILES Cc1nc(N)ccc1CNC(=O)c1ccnc(Cc2cc(N)c3ncc(Cl)cc3c2)c1
Show InChI InChI=1S/C23H21ClN6O/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,7,11,25H2,1H3,(H2,26,30)(H,29,31)
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 US10023557 (2018)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM283570
PNG
(N-((6-amino-2,4-dimethylpyridin-3-yl)methyl)- 2-((...)
Show SMILES Cc1cc(N)nc(C)c1CNC(=O)c1ccnc(Cc2cc(c3ncc(Cl)cc3c2)C(C)(C)O)c1
Show InChI InChI=1S/C27H28ClN5O2/c1-15-7-24(29)33-16(2)22(15)14-32-26(34)18-5-6-30-21(12-18)9-17-8-19-11-20(28)13-31-25(19)23(10-17)27(3,4)35/h5-8,10-13,35H,9,14H2,1-4H3,(H2,29,33)(H,32,34)
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n/an/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 US10023557 (2018)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM283579
PNG
(N-((6-amino-2-methylpyridin-3-yl)methyl)-2- ((6-ch...)
Show SMILES Cc1nc(N)ccc1CNC(=O)c1ccnc(Cc2cnc3cc(F)c(Cl)cc3c2)c1
Show InChI InChI=1S/C23H19ClFN5O/c1-13-16(2-3-22(26)30-13)12-29-23(31)15-4-5-27-18(8-15)7-14-6-17-9-19(24)20(25)10-21(17)28-11-14/h2-6,8-11H,7,12H2,1H3,(H2,26,30)(H,29,31)
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 US10023557 (2018)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM283580
PNG
(N-((6-amino-2,4-dimethylpyridin-3-yl)methyl)- 2-((...)
Show SMILES Cc1cc(N)nc(C)c1CNC(=O)c1ccnc(Cc2ccc3ncc(cc3c2)C(F)(F)F)c1
Show InChI InChI=1S/C25H22F3N5O/c1-14-7-23(29)33-15(2)21(14)13-32-24(34)17-5-6-30-20(11-17)9-16-3-4-22-18(8-16)10-19(12-31-22)25(26,27)28/h3-8,10-12H,9,13H2,1-2H3,(H2,29,33)(H,32,34)
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 US10023557 (2018)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM283583
PNG
(N-((3-chloro-1H-pyrrolo[2,3-b]pyridin-5- yl)methyl...)
Show SMILES FC(F)(F)c1cnc2ccc(Cc3cc(ccn3)C(=O)NCc3cnc4[nH]cc(Cl)c4c3)cc2c1
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 US10023557 (2018)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM283600
PNG
(N-((3-chloro-4-fluoro-1H-indol-5-yl)methyl)-2- ((3...)
Show SMILES Fc1c(CNC(=O)c2ccnc(Cc3ccc4ncc(cc4c3)C3CC3)c2)ccc2[nH]cc(Cl)c12
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 US10023557 (2018)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM283610
PNG
(N-((6-amino-2,4-dimethylpyridin-3-yl)methyl)- 2-((...)
Show SMILES Cc1cc(N)nc(C)c1CNC(=O)c1ccnc(Cc2ccc3ncc(CO)cc3c2)c1
Show InChI InChI=1S/C25H25N5O2/c1-15-7-24(26)30-16(2)22(15)13-29-25(32)19-5-6-27-21(11-19)10-17-3-4-23-20(8-17)9-18(14-31)12-28-23/h3-9,11-12,31H,10,13-14H2,1-2H3,(H2,26,30)(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 US10023557 (2018)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM283629
PNG
(2[Amino-(3-chloro-quinolin-6-yl)-methyl]-N- (6-ami...)
Show SMILES Cc1cc(N)nc(C)c1CNC(=O)c1ccnc(c1)C(N)c1ccc2ncc(Cl)cc2c1
Show InChI InChI=1S/C24H23ClN6O/c1-13-7-22(26)31-14(2)19(13)12-30-24(32)16-5-6-28-21(10-16)23(27)15-3-4-20-17(8-15)9-18(25)11-29-20/h3-11,23H,12,27H2,1-2H3,(H2,26,31)(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 US10023557 (2018)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM283635
PNG
(N-((3-chloro-4-fluoro-1H-indol-5-yl)methyl)-2- ((3...)
Show SMILES CCc1cnc2ccc(Cc3cc(ccn3)C(=O)NCc3ccc4[nH]cc(Cl)c4c3F)cc2c1
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 US10023557 (2018)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM283650
PNG
(N-((6-amino-2,4-dimethylpyridin-3-yl)methyl)- 2-((...)
Show SMILES COC(c1ccc2ncc(Cl)cc2c1)c1cc(ccn1)C(=O)NCc1c(C)cc(N)nc1C
Show InChI InChI=1S/C25H24ClN5O2/c1-14-8-23(27)31-15(2)20(14)13-30-25(32)17-6-7-28-22(11-17)24(33-3)16-4-5-21-18(9-16)10-19(26)12-29-21/h4-12,24H,13H2,1-3H3,(H2,27,31)(H,30,32)
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 US10023557 (2018)

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)[N+]#[C-])c1
Show InChI InChI=1S/C25H22N6O/c1-15-8-24(26)31-16(2)22(15)14-30-25(32)18-6-7-28-20(11-18)10-17-4-5-23-19(9-17)12-21(27-3)13-29-23/h4-9,11-13H,10,14H2,1-2H3,(H2,26,31)(H,30,32)
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 US10023557 (2018)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM283364
PNG
(N-((1-aminoisoquinolin-6-yl)methyl)-2-((3- methyl-...)
Show SMILES Cc1cnc2c(cc(Cc3cc(ccn3)C(=O)NCc3ccc4c(N)nccc4c3)cc2c1)S(C)(=O)=O
Show InChI InChI=1S/C28H25N5O3S/c1-17-9-22-11-19(13-25(37(2,35)36)26(22)32-15-17)12-23-14-21(6-7-30-23)28(34)33-16-18-3-4-24-20(10-18)5-8-31-27(24)29/h3-11,13-15H,12,16H2,1-2H3,(H2,29,31)(H,33,34)
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 US10023557 (2018)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM283366
PNG
(N-((6-fluoro-1H-indol-5-yl)methyl)-2-((3- methyl-8...)
Show SMILES Cc1cnc2c(cc(Cc3cc(ccn3)C(=O)NCc3cc4cc[nH]c4cc3F)cc2c1)S(C)(=O)=O
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 US10023557 (2018)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM283399
PNG
(N-((3-chloro-4-fluoro-1H-indol-5-yl)methyl)-2- ((3...)
Show SMILES Fc1c(CNC(=O)c2ccnc(Cc3cc(C#N)c4ncc(Cl)cc4c3)c2)ccc2[nH]cc(Cl)c12
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 US10023557 (2018)

More data for this
Ligand-Target Pair
Plasma kallikrein


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

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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 US10023557 (2018)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM283418
PNG
(N-((6-amino-2,4-dimethylpyridin-3-yl)methyl)- 2-((...)
Show SMILES Cc1cnc2c(cc(Cc3cc(ccn3)C(=O)NCc3c(C)cc(N)nc3C)cc2c1)C#N
Show InChI InChI=1S/C26H24N6O/c1-15-6-20-8-18(9-21(12-27)25(20)30-13-15)10-22-11-19(4-5-29-22)26(33)31-14-23-16(2)7-24(28)32-17(23)3/h4-9,11,13H,10,14H2,1-3H3,(H2,28,32)(H,31,33)
PDB

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n/an/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 US10023557 (2018)

More data for this
Ligand-Target Pair
Plasma kallikrein


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

UniProtKB/SwissProt

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UniChem
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 US10023557 (2018)

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)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
UniChem
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 US10023557 (2018)

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
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
UniChem
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 US10023557 (2018)

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)[N+]#[C-])c1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
UniChem
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 US10023557 (2018)

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
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
UniChem
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 US10023557 (2018)

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