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Patent code US9346794

Compile Data Set for Download or QSAR
Found 85 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
Leukocyte elastase


(Homo sapiens (Human))
BDBM232305
PNG
(US9346794, 9 | US9346794, 9A | US9346794, 9B)
Show SMILES Cc1c(-c2cccc(c2)C(F)(F)F)c(=O)c(cn1Cc1ccc(cc1)C#N)C(=O)NCc1ccc(cc1)S(C)(=O)=NC#N
Show InChI InChI=1S/C31H24F3N5O3S/c1-20-28(24-4-3-5-25(14-24)31(32,33)34)29(40)27(18-39(20)17-23-8-6-21(15-35)7-9-23)30(41)37-16-22-10-12-26(13-11-22)43(2,42)38-19-36/h3-14,18H,16-17H2,1-2H3,(H,37,41)
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n/an/a<1n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The following buffers were used: Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to p...


Citation and Details
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM232327
PNG
(US9346794, 31 | US9346794, 31A | US9346794, 31B)
Show SMILES CCS(=O)(=NC#N)c1ccc(CNC(=O)c2cn(C(C)C)c(C)c(-c3cccc(c3)C(F)F)c2=O)cc1
Show InChI InChI=1S/C27H28F2N4O3S/c1-5-37(36,32-16-30)22-11-9-19(10-12-22)14-31-27(35)23-15-33(17(2)3)18(4)24(25(23)34)20-7-6-8-21(13-20)26(28)29/h6-13,15,17,26H,5,14H2,1-4H3,(H,31,35)
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n/an/a<1n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The following buffers were used: Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to p...


Citation and Details
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM232326
PNG
(US9346794, 30 | US9346794, 30A | US9346794, 30B)
Show SMILES CCn1cc(C(=O)NCc2ccc(cc2)S(=O)(=NC#N)C(C)C)c(=O)c(c1C)-c1cccc(c1)C(F)F
Show InChI InChI=1S/C27H28F2N4O3S/c1-5-33-15-23(25(34)24(18(33)4)20-7-6-8-21(13-20)26(28)29)27(35)31-14-19-9-11-22(12-10-19)37(36,17(2)3)32-16-30/h6-13,15,17,26H,5,14H2,1-4H3,(H,31,35)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
The following buffers were used: Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to p...


Citation and Details
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM232325
PNG
(US9346794, 29 | US9346794, 29A | US9346794, 29B)
Show SMILES CCn1cc(C(=O)NCc2ccc(cc2)S(=O)(CC)=NC#N)c(=O)c(c1C)-c1cccc(c1)C(F)F
Show InChI InChI=1S/C26H26F2N4O3S/c1-4-32-15-22(24(33)23(17(32)3)19-7-6-8-20(13-19)25(27)28)26(34)30-14-18-9-11-21(12-10-18)36(35,5-2)31-16-29/h6-13,15,25H,4-5,14H2,1-3H3,(H,30,34)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
The following buffers were used: Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to p...


Citation and Details
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM232305
PNG
(US9346794, 9 | US9346794, 9A | US9346794, 9B)
Show SMILES Cc1c(-c2cccc(c2)C(F)(F)F)c(=O)c(cn1Cc1ccc(cc1)C#N)C(=O)NCc1ccc(cc1)S(C)(=O)=NC#N
Show InChI InChI=1S/C31H24F3N5O3S/c1-20-28(24-4-3-5-25(14-24)31(32,33)34)29(40)27(18-39(20)17-23-8-6-21(15-35)7-9-23)30(41)37-16-22-10-12-26(13-11-22)43(2,42)38-19-36/h3-14,18H,16-17H2,1-2H3,(H,37,41)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
The following buffers were used: Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to p...


Citation and Details
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM232333
PNG
(US9346794, 37)
Show SMILES CC(C)S(=O)(=NC#N)c1ccc(CNC(=O)c2cn(-c3ccnn3C)c(C)c(-c3cccc(c3)C(F)F)c2=O)cc1
Show InChI InChI=1S/C29H28F2N6O3S/c1-18(2)41(40,35-17-32)23-10-8-20(9-11-23)15-33-29(39)24-16-37(25-12-13-34-36(25)4)19(3)26(27(24)38)21-6-5-7-22(14-21)28(30)31/h5-14,16,18,28H,15H2,1-4H3,(H,33,39)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
The following buffers were used: Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to p...


Citation and Details
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM232307
PNG
(US9346794, 11)
Show SMILES CCn1cc(C(=O)NCc2ccc(cc2)S(=O)(=NC#N)C(C)C)c(=O)c(c1C)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C27H27F3N4O3S/c1-5-34-15-23(25(35)24(18(34)4)20-7-6-8-21(13-20)27(28,29)30)26(36)32-14-19-9-11-22(12-10-19)38(37,17(2)3)33-16-31/h6-13,15,17H,5,14H2,1-4H3,(H,32,36)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
The following buffers were used: Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to p...


Citation and Details
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM232327
PNG
(US9346794, 31 | US9346794, 31A | US9346794, 31B)
Show SMILES CCS(=O)(=NC#N)c1ccc(CNC(=O)c2cn(C(C)C)c(C)c(-c3cccc(c3)C(F)F)c2=O)cc1
Show InChI InChI=1S/C27H28F2N4O3S/c1-5-37(36,32-16-30)22-11-9-19(10-12-22)14-31-27(35)23-15-33(17(2)3)18(4)24(25(23)34)20-7-6-8-21(13-20)26(28)29/h6-13,15,17,26H,5,14H2,1-4H3,(H,31,35)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
The following buffers were used: Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to p...


Citation and Details
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM232326
PNG
(US9346794, 30 | US9346794, 30A | US9346794, 30B)
Show SMILES CCn1cc(C(=O)NCc2ccc(cc2)S(=O)(=NC#N)C(C)C)c(=O)c(c1C)-c1cccc(c1)C(F)F
Show InChI InChI=1S/C27H28F2N4O3S/c1-5-33-15-23(25(34)24(18(33)4)20-7-6-8-21(13-20)26(28)29)27(35)31-14-19-9-11-22(12-10-19)37(36,17(2)3)32-16-30/h6-13,15,17,26H,5,14H2,1-4H3,(H,31,35)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
The following buffers were used: Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to p...


Citation and Details
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM232305
PNG
(US9346794, 9 | US9346794, 9A | US9346794, 9B)
Show SMILES Cc1c(-c2cccc(c2)C(F)(F)F)c(=O)c(cn1Cc1ccc(cc1)C#N)C(=O)NCc1ccc(cc1)S(C)(=O)=NC#N
Show InChI InChI=1S/C31H24F3N5O3S/c1-20-28(24-4-3-5-25(14-24)31(32,33)34)29(40)27(18-39(20)17-23-8-6-21(15-35)7-9-23)30(41)37-16-22-10-12-26(13-11-22)43(2,42)38-19-36/h3-14,18H,16-17H2,1-2H3,(H,37,41)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
The following buffers were used: Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to p...


Citation and Details
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM232315
PNG
(US9346794, 19)
Show SMILES CC(C)S(=O)(=NC#N)c1ccc(CNC(=O)c2cn(-c3ccnn3C)c(C)c(-c3cccc(c3)C(F)(F)F)c2=O)cc1
Show InChI InChI=1S/C29H27F3N6O3S/c1-18(2)42(41,36-17-33)23-10-8-20(9-11-23)15-34-28(40)24-16-38(25-12-13-35-37(25)4)19(3)26(27(24)39)21-6-5-7-22(14-21)29(30,31)32/h5-14,16,18H,15H2,1-4H3,(H,34,40)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
The following buffers were used: Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to p...


Citation and Details
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM232308
PNG
(US9346794, 12)
Show SMILES CCS(=O)(=NC#N)c1ccc(CNC(=O)c2cn(C(C)C)c(C)c(-c3cccc(c3)C(F)(F)F)c2=O)cc1
Show InChI InChI=1S/C27H27F3N4O3S/c1-5-38(37,33-16-31)22-11-9-19(10-12-22)14-32-26(36)23-15-34(17(2)3)18(4)24(25(23)35)20-7-6-8-21(13-20)27(28,29)30/h6-13,15,17H,5,14H2,1-4H3,(H,32,36)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
The following buffers were used: Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to p...


Citation and Details
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM232327
PNG
(US9346794, 31 | US9346794, 31A | US9346794, 31B)
Show SMILES CCS(=O)(=NC#N)c1ccc(CNC(=O)c2cn(C(C)C)c(C)c(-c3cccc(c3)C(F)F)c2=O)cc1
Show InChI InChI=1S/C27H28F2N4O3S/c1-5-37(36,32-16-30)22-11-9-19(10-12-22)14-31-27(35)23-15-33(17(2)3)18(4)24(25(23)34)20-7-6-8-21(13-20)26(28)29/h6-13,15,17,26H,5,14H2,1-4H3,(H,31,35)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
The following buffers were used: Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to p...


Citation and Details
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM232332
PNG
(US9346794, 36)
Show SMILES CCS(=O)(=NC#N)c1ccc(CNC(=O)c2cn(-c3ccnn3C)c(C)c(-c3cccc(c3)C(F)F)c2=O)cc1
Show InChI InChI=1S/C28H26F2N6O3S/c1-4-40(39,34-17-31)22-10-8-19(9-11-22)15-32-28(38)23-16-36(24-12-13-33-35(24)3)18(2)25(26(23)37)20-6-5-7-21(14-20)27(29)30/h5-14,16,27H,4,15H2,1-3H3,(H,32,38)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
The following buffers were used: Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to p...


Citation and Details
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM232328
PNG
(US9346794, 32)
Show SMILES CC(C)n1cc(C(=O)NCc2ccc(c(F)c2)S(C)(=O)=NC#N)c(=O)c(c1C)-c1cccc(c1)C(F)F
Show InChI InChI=1S/C26H25F3N4O3S/c1-15(2)33-13-20(24(34)23(16(33)3)18-6-5-7-19(11-18)25(28)29)26(35)31-12-17-8-9-22(21(27)10-17)37(4,36)32-14-30/h5-11,13,15,25H,12H2,1-4H3,(H,31,35)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
The following buffers were used: Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to p...


Citation and Details
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM232298
PNG
(US9346794, 2 | US9346794, 2A | US9346794, 2B)
Show SMILES CC(C)n1cc(C(=O)NCc2ccc(cc2)S(C)(=O)=NC#N)c(=O)c(c1C)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C26H25F3N4O3S/c1-16(2)33-14-22(24(34)23(17(33)3)19-6-5-7-20(12-19)26(27,28)29)25(35)31-13-18-8-10-21(11-9-18)37(4,36)32-15-30/h5-12,14,16H,13H2,1-4H3,(H,31,35)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
The following buffers were used: Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to p...


Citation and Details
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM232318
PNG
(US9346794, 22A | US9346794, 22B)
Show SMILES CC(C)S(=O)(=NC#N)c1ccc(CNC(=O)c2cn(C3CC3)c(C)c(-c3cccc(c3)C(F)(F)F)c2=O)cc1
Show InChI InChI=1S/C28H27F3N4O3S/c1-17(2)39(38,34-16-32)23-11-7-19(8-12-23)14-33-27(37)24-15-35(22-9-10-22)18(3)25(26(24)36)20-5-4-6-21(13-20)28(29,30)31/h4-8,11-13,15,17,22H,9-10,14H2,1-3H3,(H,33,37)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
The following buffers were used: Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to p...


Citation and Details
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM232306
PNG
(US9346794, 10 | US9346794, 10A | US9346794, 10B)
Show SMILES CCn1cc(C(=O)NCc2ccc(cc2)S(=O)(CC)=NC#N)c(=O)c(c1C)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C26H25F3N4O3S/c1-4-33-15-22(24(34)23(17(33)3)19-7-6-8-20(13-19)26(27,28)29)25(35)31-14-18-9-11-21(12-10-18)37(36,5-2)32-16-30/h6-13,15H,4-5,14H2,1-3H3,(H,31,35)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
The following buffers were used: Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to p...


Citation and Details
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM232304
PNG
(US9346794, 47 | US9346794, 8)
Show SMILES Cc1c(-c2cccc(c2)C(F)(F)F)c(=O)c(cn1-c1ccnn1C)C(=O)NCc1ccc(cc1)S(C)(=O)=NC#N
Show InChI InChI=1S/C27H23F3N6O3S/c1-17-24(19-5-4-6-20(13-19)27(28,29)30)25(37)22(15-36(17)23-11-12-33-35(23)2)26(38)32-14-18-7-9-21(10-8-18)40(3,39)34-16-31/h4-13,15H,14H2,1-3H3,(H,32,38)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
The following buffers were used: Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to p...


Citation and Details
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM232306
PNG
(US9346794, 10 | US9346794, 10A | US9346794, 10B)
Show SMILES CCn1cc(C(=O)NCc2ccc(cc2)S(=O)(CC)=NC#N)c(=O)c(c1C)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C26H25F3N4O3S/c1-4-33-15-22(24(34)23(17(33)3)19-7-6-8-20(13-19)26(27,28)29)25(35)31-14-18-9-11-21(12-10-18)37(36,5-2)32-16-30/h6-13,15H,4-5,14H2,1-3H3,(H,31,35)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
The following buffers were used: Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to p...


Citation and Details
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM232297
PNG
(US9346794, 1 | US9346794, 1A | US9346794, 1B)
Show SMILES CC(C)n1cc(C(=O)NCc2ccc(cc2)S(C)(=O)=NC#N)c(=O)c(c1C)-c1cccc(c1)C(F)F
Show InChI InChI=1S/C26H26F2N4O3S/c1-16(2)32-14-22(24(33)23(17(32)3)19-6-5-7-20(12-19)25(27)28)26(34)30-13-18-8-10-21(11-9-18)36(4,35)31-15-29/h5-12,14,16,25H,13H2,1-4H3,(H,30,34)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
The following buffers were used: Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to p...


Citation and Details
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM232297
PNG
(US9346794, 1 | US9346794, 1A | US9346794, 1B)
Show SMILES CC(C)n1cc(C(=O)NCc2ccc(cc2)S(C)(=O)=NC#N)c(=O)c(c1C)-c1cccc(c1)C(F)F
Show InChI InChI=1S/C26H26F2N4O3S/c1-16(2)32-14-22(24(33)23(17(32)3)19-6-5-7-20(12-19)25(27)28)26(34)30-13-18-8-10-21(11-9-18)36(4,35)31-15-29/h5-12,14,16,25H,13H2,1-4H3,(H,30,34)
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Boehringer Ingelheim International GmbH

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Assay Description
The following buffers were used: Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to p...


Citation and Details
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM232357
PNG
(US9346794, 63)
Show SMILES CC(C)n1cc(C(=O)NCc2ccc(cc2)S(=O)(=NC#N)C2CC2)c(=O)c(c1C)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C28H27F3N4O3S/c1-17(2)35-15-24(26(36)25(18(35)3)20-5-4-6-21(13-20)28(29,30)31)27(37)33-14-19-7-9-22(10-8-19)39(38,34-16-32)23-11-12-23/h4-10,13,15,17,23H,11-12,14H2,1-3H3,(H,33,37)
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Boehringer Ingelheim International GmbH

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Assay Description
The following buffers were used: Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to p...


Citation and Details
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM232314
PNG
(US9346794, 18)
Show SMILES CCS(=O)(=NC#N)c1ccc(CNC(=O)c2cn(-c3ccnn3C)c(C)c(-c3cccc(c3)C(F)(F)F)c2=O)cc1
Show InChI InChI=1S/C28H25F3N6O3S/c1-4-41(40,35-17-32)22-10-8-19(9-11-22)15-33-27(39)23-16-37(24-12-13-34-36(24)3)18(2)25(26(23)38)20-6-5-7-21(14-20)28(29,30)31/h5-14,16H,4,15H2,1-3H3,(H,33,39)
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Boehringer Ingelheim International GmbH

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Assay Description
The following buffers were used: Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to p...


Citation and Details
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM232325
PNG
(US9346794, 29 | US9346794, 29A | US9346794, 29B)
Show SMILES CCn1cc(C(=O)NCc2ccc(cc2)S(=O)(CC)=NC#N)c(=O)c(c1C)-c1cccc(c1)C(F)F
Show InChI InChI=1S/C26H26F2N4O3S/c1-4-32-15-22(24(33)23(17(32)3)19-7-6-8-20(13-19)25(27)28)26(34)30-14-18-9-11-21(12-10-18)36(35,5-2)31-16-29/h6-13,15,25H,4-5,14H2,1-3H3,(H,30,34)
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Boehringer Ingelheim International GmbH

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Assay Description
The following buffers were used: Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to p...


Citation and Details
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM232310
PNG
(US9346794, 14)
Show SMILES CC(C)n1cc(C(=O)NCc2ccc(cc2F)S(C)(=O)=NC#N)c(=O)c(c1C)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C26H24F4N4O3S/c1-15(2)34-13-21(24(35)23(16(34)3)17-6-5-7-19(10-17)26(28,29)30)25(36)32-12-18-8-9-20(11-22(18)27)38(4,37)33-14-31/h5-11,13,15H,12H2,1-4H3,(H,32,36)
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Assay Description
The following buffers were used: Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to p...


Citation and Details
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM232300
PNG
(US9346794, 4 | US9346794, 4A | US9346794, 4B)
Show SMILES CCn1cc(C(=O)NCc2ccc(cc2)S(C)(=O)=NC#N)c(=O)c(c1C)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C25H23F3N4O3S/c1-4-32-14-21(23(33)22(16(32)2)18-6-5-7-19(12-18)25(26,27)28)24(34)30-13-17-8-10-20(11-9-17)36(3,35)31-15-29/h5-12,14H,4,13H2,1-3H3,(H,30,34)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
The following buffers were used: Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to p...


Citation and Details
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM232298
PNG
(US9346794, 2 | US9346794, 2A | US9346794, 2B)
Show SMILES CC(C)n1cc(C(=O)NCc2ccc(cc2)S(C)(=O)=NC#N)c(=O)c(c1C)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C26H25F3N4O3S/c1-16(2)33-14-22(24(34)23(17(33)3)19-6-5-7-20(12-19)26(27,28)29)25(35)31-13-18-8-10-21(11-9-18)37(4,36)32-15-30/h5-12,14,16H,13H2,1-4H3,(H,31,35)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
The following buffers were used: Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to p...


Citation and Details
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM232351
PNG
(US9346794, 57)
Show SMILES Cc1ccncc1-n1cc(C(=O)NCc2ccc(cc2)S(C)(=O)=NC#N)c(=O)c(c1C)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C29H24F3N5O3S/c1-18-11-12-34-15-25(18)37-16-24(27(38)26(19(37)2)21-5-4-6-22(13-21)29(30,31)32)28(39)35-14-20-7-9-23(10-8-20)41(3,40)36-17-33/h4-13,15-16H,14H2,1-3H3,(H,35,39)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
The following buffers were used: Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to p...


Citation and Details
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM232326
PNG
(US9346794, 30 | US9346794, 30A | US9346794, 30B)
Show SMILES CCn1cc(C(=O)NCc2ccc(cc2)S(=O)(=NC#N)C(C)C)c(=O)c(c1C)-c1cccc(c1)C(F)F
Show InChI InChI=1S/C27H28F2N4O3S/c1-5-33-15-23(25(34)24(18(33)4)20-7-6-8-21(13-20)26(28)29)27(35)31-14-19-9-11-22(12-10-19)37(36,17(2)3)32-16-30/h6-13,15,17,26H,5,14H2,1-4H3,(H,31,35)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
The following buffers were used: Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to p...


Citation and Details
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM232349
PNG
(US9346794, 55)
Show SMILES Cc1c(-c2cccc(c2)C(F)(F)F)c(=O)c(cn1C1CCCOC1)C(=O)NCc1ccc(cc1)S(C)(=O)=NC#N
Show InChI InChI=1S/C28H27F3N4O4S/c1-18-25(20-5-3-6-21(13-20)28(29,30)31)26(36)24(15-35(18)22-7-4-12-39-16-22)27(37)33-14-19-8-10-23(11-9-19)40(2,38)34-17-32/h3,5-6,8-11,13,15,22H,4,7,12,14,16H2,1-2H3,(H,33,37)
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Boehringer Ingelheim International GmbH

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Assay Description
The following buffers were used: Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to p...


Citation and Details
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM232337
PNG
(US9346794, 41)
Show SMILES CC(C)n1cc(C(=O)NCc2ccc(cc2)S(C)(=O)=NC#N)c(=O)c(c1C)-c1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C26H24F4N4O3S/c1-15(2)34-13-20(25(36)32-12-17-5-8-19(9-6-17)38(4,37)33-14-31)24(35)23(16(34)3)18-7-10-22(27)21(11-18)26(28,29)30/h5-11,13,15H,12H2,1-4H3,(H,32,36)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
The following buffers were used: Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to p...


Citation and Details
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM232312
PNG
(US9346794, 16)
Show SMILES CC(C)n1cc(C(=O)NCc2ccc(cn2)S(C)(=O)=NC#N)c(=O)c(c1C)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C25H24F3N5O3S/c1-15(2)33-13-21(23(34)22(16(33)3)17-6-5-7-18(10-17)25(26,27)28)24(35)31-11-19-8-9-20(12-30-19)37(4,36)32-14-29/h5-10,12-13,15H,11H2,1-4H3,(H,31,35)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
The following buffers were used: Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to p...


Citation and Details
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM232317
PNG
(US9346794, 21A | US9346794, 21B)
Show SMILES CCS(=O)(=NC#N)c1ccc(CNC(=O)c2cn(C3CC3)c(C)c(-c3cccc(c3)C(F)(F)F)c2=O)cc1
Show InChI InChI=1S/C27H25F3N4O3S/c1-3-38(37,33-16-31)22-11-7-18(8-12-22)14-32-26(36)23-15-34(21-9-10-21)17(2)24(25(23)35)19-5-4-6-20(13-19)27(28,29)30/h4-8,11-13,15,21H,3,9-10,14H2,1-2H3,(H,32,36)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
The following buffers were used: Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to p...


Citation and Details
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM232303
PNG
(US9346794, 7)
Show SMILES Cc1c(-c2cccc(c2)C(F)F)c(=O)c(cn1-c1ccnn1C)C(=O)NCc1ccc(cc1)S(C)(=O)=NC#N
Show InChI InChI=1S/C27H24F2N6O3S/c1-17-24(19-5-4-6-20(13-19)26(28)29)25(36)22(15-35(17)23-11-12-32-34(23)2)27(37)31-14-18-7-9-21(10-8-18)39(3,38)33-16-30/h4-13,15,26H,14H2,1-3H3,(H,31,37)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
The following buffers were used: Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to p...


Citation and Details
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM232325
PNG
(US9346794, 29 | US9346794, 29A | US9346794, 29B)
Show SMILES CCn1cc(C(=O)NCc2ccc(cc2)S(=O)(CC)=NC#N)c(=O)c(c1C)-c1cccc(c1)C(F)F
Show InChI InChI=1S/C26H26F2N4O3S/c1-4-32-15-22(24(33)23(17(32)3)19-7-6-8-20(13-19)25(27)28)26(34)30-14-18-9-11-21(12-10-18)36(35,5-2)31-16-29/h6-13,15,25H,4-5,14H2,1-3H3,(H,30,34)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
The following buffers were used: Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to p...


Citation and Details
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM232311
PNG
(US9346794, 15)
Show SMILES CC(C)n1cc(C(=O)NCc2ccc(cc2C)S(C)(=O)=NC#N)c(=O)c(c1C)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C27H27F3N4O3S/c1-16(2)34-14-23(25(35)24(18(34)4)19-7-6-8-21(12-19)27(28,29)30)26(36)32-13-20-9-10-22(11-17(20)3)38(5,37)33-15-31/h6-12,14,16H,13H2,1-5H3,(H,32,36)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
The following buffers were used: Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to p...


Citation and Details
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM232347
PNG
(US9346794, 53)
Show SMILES Cc1c(-c2cccc(c2)C(F)(F)F)c(=O)c(cn1C1CCOCC1)C(=O)NCc1ccc(cc1)S(C)(=O)=NC#N
Show InChI InChI=1S/C28H27F3N4O4S/c1-18-25(20-4-3-5-21(14-20)28(29,30)31)26(36)24(16-35(18)22-10-12-39-13-11-22)27(37)33-15-19-6-8-23(9-7-19)40(2,38)34-17-32/h3-9,14,16,22H,10-13,15H2,1-2H3,(H,33,37)
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Boehringer Ingelheim International GmbH

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Assay Description
The following buffers were used: Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to p...


Citation and Details
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM232298
PNG
(US9346794, 2 | US9346794, 2A | US9346794, 2B)
Show SMILES CC(C)n1cc(C(=O)NCc2ccc(cc2)S(C)(=O)=NC#N)c(=O)c(c1C)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C26H25F3N4O3S/c1-16(2)33-14-22(24(34)23(17(33)3)19-6-5-7-20(12-19)26(27,28)29)25(35)31-13-18-8-10-21(11-9-18)37(4,36)32-15-30/h5-12,14,16H,13H2,1-4H3,(H,31,35)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
The following buffers were used: Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to p...


Citation and Details
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM232348
PNG
(US9346794, 54)
Show SMILES Cc1c(-c2cccc(c2)C(F)(F)F)c(=O)c(cn1C1CCOC1)C(=O)NCc1ccc(cc1)S(C)(=O)=NC#N
Show InChI InChI=1S/C27H25F3N4O4S/c1-17-24(19-4-3-5-20(12-19)27(28,29)30)25(35)23(14-34(17)21-10-11-38-15-21)26(36)32-13-18-6-8-22(9-7-18)39(2,37)33-16-31/h3-9,12,14,21H,10-11,13,15H2,1-2H3,(H,32,36)
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Boehringer Ingelheim International GmbH

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Assay Description
The following buffers were used: Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to p...


Citation and Details
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM232302
PNG
(US9346794, 6)
Show SMILES Cc1c(-c2cccc(c2)C(F)(F)F)c(=O)c(cn1C1CCC1)C(=O)NCc1ccc(cc1)S(C)(=O)=NC#N
Show InChI InChI=1S/C27H25F3N4O3S/c1-17-24(19-5-3-6-20(13-19)27(28,29)30)25(35)23(15-34(17)21-7-4-8-21)26(36)32-14-18-9-11-22(12-10-18)38(2,37)33-16-31/h3,5-6,9-13,15,21H,4,7-8,14H2,1-2H3,(H,32,36)
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Assay Description
The following buffers were used: Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to p...


Citation and Details
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM232309
PNG
(US9346794, 13)
Show SMILES CC(C)n1cc(C(=O)NCc2ccc(c(F)c2)S(C)(=O)=NC#N)c(=O)c(c1C)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C26H24F4N4O3S/c1-15(2)34-13-20(24(35)23(16(34)3)18-6-5-7-19(11-18)26(28,29)30)25(36)32-12-17-8-9-22(21(27)10-17)38(4,37)33-14-31/h5-11,13,15H,12H2,1-4H3,(H,32,36)
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Assay Description
The following buffers were used: Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to p...


Citation and Details
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM232330
PNG
(US9346794, 34)
Show SMILES CC(C)n1cc(C(=O)NCc2ccc(cc2C)S(C)(=O)=NC#N)c(=O)c(c1C)-c1cccc(c1)C(F)F
Show InChI InChI=1S/C27H28F2N4O3S/c1-16(2)33-14-23(25(34)24(18(33)4)19-7-6-8-20(12-19)26(28)29)27(35)31-13-21-9-10-22(11-17(21)3)37(5,36)32-15-30/h6-12,14,16,26H,13H2,1-5H3,(H,31,35)
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Assay Description
The following buffers were used: Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to p...


Citation and Details
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM232304
PNG
(US9346794, 47 | US9346794, 8)
Show SMILES Cc1c(-c2cccc(c2)C(F)(F)F)c(=O)c(cn1-c1ccnn1C)C(=O)NCc1ccc(cc1)S(C)(=O)=NC#N
Show InChI InChI=1S/C27H23F3N6O3S/c1-17-24(19-5-4-6-20(13-19)27(28,29)30)25(37)22(15-36(17)23-11-12-33-35(23)2)26(38)32-14-18-7-9-21(10-8-18)40(3,39)34-16-31/h4-13,15H,14H2,1-3H3,(H,32,38)
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Assay Description
The following buffers were used: Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to p...


Citation and Details
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM232329
PNG
(US9346794, 33)
Show SMILES CC(C)n1cc(C(=O)NCc2ccc(cc2F)S(C)(=O)=NC#N)c(=O)c(c1C)-c1cccc(c1)C(F)F
Show InChI InChI=1S/C26H25F3N4O3S/c1-15(2)33-13-21(24(34)23(16(33)3)17-6-5-7-18(10-17)25(28)29)26(35)31-12-19-8-9-20(11-22(19)27)37(4,36)32-14-30/h5-11,13,15,25H,12H2,1-4H3,(H,31,35)
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Assay Description
The following buffers were used: Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to p...


Citation and Details
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM232323
PNG
(US9346794, 27)
Show SMILES Cc1c(-c2cccc(c2)C(F)(F)F)c(=O)c(cn1-c1ccncc1)C(=O)NCc1ccc(cc1)S(C)(=O)=NC#N
Show InChI InChI=1S/C28H22F3N5O3S/c1-18-25(20-4-3-5-21(14-20)28(29,30)31)26(37)24(16-36(18)22-10-12-33-13-11-22)27(38)34-15-19-6-8-23(9-7-19)40(2,39)35-17-32/h3-14,16H,15H2,1-2H3,(H,34,38)
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Assay Description
The following buffers were used: Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to p...


Citation and Details
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM232301
PNG
(US9346794, 5)
Show SMILES CCn1cc(C(=O)NCc2ccc(cc2)S(C)(=O)=NC#N)c(=O)c(c1C)-c1cccc(c1)C(F)F
Show InChI InChI=1S/C25H24F2N4O3S/c1-4-31-14-21(23(32)22(16(31)2)18-6-5-7-19(12-18)24(26)27)25(33)29-13-17-8-10-20(11-9-17)35(3,34)30-15-28/h5-12,14,24H,4,13H2,1-3H3,(H,29,33)
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Assay Description
The following buffers were used: Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to p...


Citation and Details
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM232319
PNG
(US9346794, 23)
Show SMILES Cc1noc(C)c1-n1cc(C(=O)NCc2ccc(cc2)S(C)(=O)=NC#N)c(=O)c(c1C)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C28H24F3N5O4S/c1-16-25(18(3)40-35-16)36-14-23(26(37)24(17(36)2)20-6-5-7-21(12-20)28(29,30)31)27(38)33-13-19-8-10-22(11-9-19)41(4,39)34-15-32/h5-12,14H,13H2,1-4H3,(H,33,38)
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Assay Description
The following buffers were used: Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to p...


Citation and Details
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM232306
PNG
(US9346794, 10 | US9346794, 10A | US9346794, 10B)
Show SMILES CCn1cc(C(=O)NCc2ccc(cc2)S(=O)(CC)=NC#N)c(=O)c(c1C)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C26H25F3N4O3S/c1-4-33-15-22(24(34)23(17(33)3)19-7-6-8-20(13-19)26(27,28)29)25(35)31-14-18-9-11-21(12-10-18)37(36,5-2)32-16-30/h6-13,15H,4-5,14H2,1-3H3,(H,31,35)
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Assay Description
The following buffers were used: Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to p...


Citation and Details
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM232356
PNG
(US9346794, 62)
Show SMILES CC(C)n1cc(C(=O)NCc2ccc(c[n+]2[O-])S(C)(=O)=NC#N)c(=O)c(c1C)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C25H24F3N5O4S/c1-15(2)32-13-21(23(34)22(16(32)3)17-6-5-7-18(10-17)25(26,27)28)24(35)30-11-19-8-9-20(12-33(19)36)38(4,37)31-14-29/h5-10,12-13,15H,11H2,1-4H3,(H,30,35)
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Assay Description
The following buffers were used: Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to p...


Citation and Details
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM232300
PNG
(US9346794, 4 | US9346794, 4A | US9346794, 4B)
Show SMILES CCn1cc(C(=O)NCc2ccc(cc2)S(C)(=O)=NC#N)c(=O)c(c1C)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C25H23F3N4O3S/c1-4-32-14-21(23(33)22(16(32)2)18-6-5-7-19(12-18)25(26,27)28)24(34)30-13-17-8-10-20(11-9-17)36(3,35)31-15-29/h5-12,14H,4,13H2,1-3H3,(H,30,34)
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Boehringer Ingelheim International GmbH

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Assay Description
The following buffers were used: Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to p...


Citation and Details
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM232297
PNG
(US9346794, 1 | US9346794, 1A | US9346794, 1B)
Show SMILES CC(C)n1cc(C(=O)NCc2ccc(cc2)S(C)(=O)=NC#N)c(=O)c(c1C)-c1cccc(c1)C(F)F
Show InChI InChI=1S/C26H26F2N4O3S/c1-16(2)32-14-22(24(33)23(17(32)3)19-6-5-7-20(12-19)25(27)28)26(34)30-13-18-8-10-21(11-9-18)36(4,35)31-15-29/h5-12,14,16,25H,13H2,1-4H3,(H,30,34)
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Boehringer Ingelheim International GmbH

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Assay Description
The following buffers were used: Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to p...


Citation and Details
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM232350
PNG
(US9346794, 56)
Show SMILES Cc1c(-c2cccc(c2)C(F)(F)F)c(=O)c(cn1-c1nccs1)C(=O)NCc1ccc(cc1)S(C)(=O)=NC#N
Show InChI InChI=1S/C26H20F3N5O3S2/c1-16-22(18-4-3-5-19(12-18)26(27,28)29)23(35)21(14-34(16)25-31-10-11-38-25)24(36)32-13-17-6-8-20(9-7-17)39(2,37)33-15-30/h3-12,14H,13H2,1-2H3,(H,32,36)
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Assay Description
The following buffers were used: Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to p...


Citation and Details
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM232324
PNG
(US9346794, 28)
Show SMILES Cc1c(-c2cccc(c2)C(F)(F)F)c(=O)c(cn1-c1cncnc1)C(=O)NCc1ccc(cc1)S(C)(=O)=NC#N
Show InChI InChI=1S/C27H21F3N6O3S/c1-17-24(19-4-3-5-20(10-19)27(28,29)30)25(37)23(14-36(17)21-12-32-16-33-13-21)26(38)34-11-18-6-8-22(9-7-18)40(2,39)35-15-31/h3-10,12-14,16H,11H2,1-2H3,(H,34,38)
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Assay Description
The following buffers were used: Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to p...


Citation and Details
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM232322
PNG
(US9346794, 26)
Show SMILES Cc1c(-c2cccc(c2)C(F)(F)F)c(=O)c(cn1-c1cccnc1)C(=O)NCc1ccc(cc1)S(C)(=O)=NC#N
Show InChI InChI=1S/C28H22F3N5O3S/c1-18-25(20-5-3-6-21(13-20)28(29,30)31)26(37)24(16-36(18)22-7-4-12-33-15-22)27(38)34-14-19-8-10-23(11-9-19)40(2,39)35-17-32/h3-13,15-16H,14H2,1-2H3,(H,34,38)
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Assay Description
The following buffers were used: Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to p...


Citation and Details
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM232360
PNG
(US9346794, 66)
Show SMILES CC(C)n1cc(C(=O)NCc2ccc(c(C)c2)S(C)(=O)=NC#N)c(=O)c(c1C)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C27H27F3N4O3S/c1-16(2)34-14-22(25(35)24(18(34)4)20-7-6-8-21(12-20)27(28,29)30)26(36)32-13-19-9-10-23(17(3)11-19)38(5,37)33-15-31/h6-12,14,16H,13H2,1-5H3,(H,32,36)
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Assay Description
The following buffers were used: Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to p...


Citation and Details
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM232334
PNG
(US9346794, 38)
Show SMILES Cc1c(-c2cccc(c2)C(F)F)c(=O)c(cn1-c1ccccc1)C(=O)NCc1ccc(cc1)S(C)(=O)=NC#N
Show InChI InChI=1S/C29H24F2N4O3S/c1-19-26(21-7-6-8-22(15-21)28(30)31)27(36)25(17-35(19)23-9-4-3-5-10-23)29(37)33-16-20-11-13-24(14-12-20)39(2,38)34-18-32/h3-15,17,28H,16H2,1-2H3,(H,33,37)
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Assay Description
The following buffers were used: Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to p...


Citation and Details
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM232335
PNG
(US9346794, 39)
Show SMILES Cc1c(-c2cccc(c2)C(F)F)c(=O)c(cn1-c1cccnc1)C(=O)NCc1ccc(cc1)S(C)(=O)=NC#N
Show InChI InChI=1S/C28H23F2N5O3S/c1-18-25(20-5-3-6-21(13-20)27(29)30)26(36)24(16-35(18)22-7-4-12-32-15-22)28(37)33-14-19-8-10-23(11-9-19)39(2,38)34-17-31/h3-13,15-16,27H,14H2,1-2H3,(H,33,37)
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n/an/a 3.70n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The following buffers were used: Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to p...


Citation and Details
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM232336
PNG
(US9346794, 40)
Show SMILES Cc1c(-c2cccc(c2)C(F)F)c(=O)c(cn1-c1ccncc1)C(=O)NCc1ccc(cc1)S(C)(=O)=NC#N
Show InChI InChI=1S/C28H23F2N5O3S/c1-18-25(20-4-3-5-21(14-20)27(29)30)26(36)24(16-35(18)22-10-12-32-13-11-22)28(37)33-15-19-6-8-23(9-7-19)39(2,38)34-17-31/h3-14,16,27H,15H2,1-2H3,(H,33,37)
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n/an/a 4n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The following buffers were used: Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to p...


Citation and Details
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM232300
PNG
(US9346794, 4 | US9346794, 4A | US9346794, 4B)
Show SMILES CCn1cc(C(=O)NCc2ccc(cc2)S(C)(=O)=NC#N)c(=O)c(c1C)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C25H23F3N4O3S/c1-4-32-14-21(23(33)22(16(32)2)18-6-5-7-19(12-18)25(26,27)28)24(34)30-13-17-8-10-20(11-9-17)36(3,35)31-15-29/h5-12,14H,4,13H2,1-3H3,(H,30,34)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
The following buffers were used: Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to p...


Citation and Details
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM232321
PNG
(US9346794, 25)
Show SMILES Cc1c(-c2cccc(c2)C(F)(F)F)c(=O)c(cn1-c1ccccn1)C(=O)NCc1ccc(cc1)S(C)(=O)=NC#N
Show InChI InChI=1S/C28H22F3N5O3S/c1-18-25(20-6-5-7-21(14-20)28(29,30)31)26(37)23(16-36(18)24-8-3-4-13-33-24)27(38)34-15-19-9-11-22(12-10-19)40(2,39)35-17-32/h3-14,16H,15H2,1-2H3,(H,34,38)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
The following buffers were used: Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to p...


Citation and Details
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM232318
PNG
(US9346794, 22A | US9346794, 22B)
Show SMILES CC(C)S(=O)(=NC#N)c1ccc(CNC(=O)c2cn(C3CC3)c(C)c(-c3cccc(c3)C(F)(F)F)c2=O)cc1
Show InChI InChI=1S/C28H27F3N4O3S/c1-17(2)39(38,34-16-32)23-11-7-19(8-12-23)14-33-27(37)24-15-35(22-9-10-22)18(3)25(26(24)36)20-5-4-6-21(13-20)28(29,30)31/h4-8,11-13,15,17,22H,9-10,14H2,1-3H3,(H,33,37)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
The following buffers were used: Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to p...


Citation and Details
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM232352
PNG
(US9346794, 58)
Show SMILES Cc1ccc(cn1)-n1cc(C(=O)NCc2ccc(cc2)S(C)(=O)=NC#N)c(=O)c(c1C)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C29H24F3N5O3S/c1-18-7-10-23(15-34-18)37-16-25(27(38)26(19(37)2)21-5-4-6-22(13-21)29(30,31)32)28(39)35-14-20-8-11-24(12-9-20)41(3,40)36-17-33/h4-13,15-16H,14H2,1-3H3,(H,35,39)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
The following buffers were used: Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to p...


Citation and Details
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM232299
PNG
(US9346794, 3 | US9346794, 3A | US9346794, 3B)
Show SMILES CC(C)n1cc(C(=O)NCc2ccc(cc2)S(C)(=O)=NC#N)c(=O)c(c1C)-c1ccnc(c1)C(F)(F)F
Show InChI InChI=1S/C25H24F3N5O3S/c1-15(2)33-13-20(23(34)22(16(33)3)18-9-10-30-21(11-18)25(26,27)28)24(35)31-12-17-5-7-19(8-6-17)37(4,36)32-14-29/h5-11,13,15H,12H2,1-4H3,(H,31,35)
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Boehringer Ingelheim International GmbH

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Assay Description
The following buffers were used: Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to p...


Citation and Details
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM232338
PNG
(US9346794, 42)
Show SMILES CC(C)n1cc(C(=O)NCc2ccc(cc2)S(C)(=O)=NC#N)c(=O)c(c1C)-c1ccc(F)c(c1)C(F)F
Show InChI InChI=1S/C26H25F3N4O3S/c1-15(2)33-13-21(24(34)23(16(33)3)18-7-10-22(27)20(11-18)25(28)29)26(35)31-12-17-5-8-19(9-6-17)37(4,36)32-14-30/h5-11,13,15,25H,12H2,1-4H3,(H,31,35)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
The following buffers were used: Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to p...


Citation and Details
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM232299
PNG
(US9346794, 3 | US9346794, 3A | US9346794, 3B)
Show SMILES CC(C)n1cc(C(=O)NCc2ccc(cc2)S(C)(=O)=NC#N)c(=O)c(c1C)-c1ccnc(c1)C(F)(F)F
Show InChI InChI=1S/C25H24F3N5O3S/c1-15(2)33-13-20(23(34)22(16(33)3)18-9-10-30-21(11-18)25(26,27)28)24(35)31-12-17-5-7-19(8-6-17)37(4,36)32-14-29/h5-11,13,15H,12H2,1-4H3,(H,31,35)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
The following buffers were used: Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to p...


Citation and Details
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM232317
PNG
(US9346794, 21A | US9346794, 21B)
Show SMILES CCS(=O)(=NC#N)c1ccc(CNC(=O)c2cn(C3CC3)c(C)c(-c3cccc(c3)C(F)(F)F)c2=O)cc1
Show InChI InChI=1S/C27H25F3N4O3S/c1-3-38(37,33-16-31)22-11-7-18(8-12-22)14-32-26(36)23-15-34(21-9-10-21)17(2)24(25(23)35)19-5-4-6-20(13-19)27(28,29)30/h4-8,11-13,15,21H,3,9-10,14H2,1-2H3,(H,32,36)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
The following buffers were used: Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to p...


Citation and Details
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM232320
PNG
(US9346794, 24)
Show SMILES Cc1c(-c2cccc(c2)C(F)(F)F)c(=O)c(cn1-c1ccccc1)C(=O)NCc1ccc(cc1)S(C)(=O)=NC#N
Show InChI InChI=1S/C29H23F3N4O3S/c1-19-26(21-7-6-8-22(15-21)29(30,31)32)27(37)25(17-36(19)23-9-4-3-5-10-23)28(38)34-16-20-11-13-24(14-12-20)40(2,39)35-18-33/h3-15,17H,16H2,1-2H3,(H,34,38)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
The following buffers were used: Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to p...


Citation and Details
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM232316
PNG
(US9346794, 20)
Show SMILES Cc1c(-c2cccc(c2)C(F)(F)F)c(=O)c(cn1C1CC1)C(=O)NCc1ccc(cc1)S(C)(=O)=NC#N
Show InChI InChI=1S/C26H23F3N4O3S/c1-16-23(18-4-3-5-19(12-18)26(27,28)29)24(34)22(14-33(16)20-8-9-20)25(35)31-13-17-6-10-21(11-7-17)37(2,36)32-15-30/h3-7,10-12,14,20H,8-9,13H2,1-2H3,(H,31,35)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
The following buffers were used: Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to p...


Citation and Details
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM232313
PNG
(US9346794, 17)
Show SMILES CC(C)n1cc(C(=O)NCc2ccc(cc2)S(C)(=O)=NS(C)(=O)=O)c(=O)c(-c2cccc(c2)C(F)(F)F)c1C
Show InChI InChI=1S/C26H28F3N3O5S2/c1-16(2)32-15-22(24(33)23(17(32)3)19-7-6-8-20(13-19)26(27,28)29)25(34)30-14-18-9-11-21(12-10-18)38(4,35)31-39(5,36)37/h6-13,15-16H,14H2,1-5H3,(H,30,34)
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n/an/a 7.30n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The following buffers were used: Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to p...


Citation and Details
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM232345
PNG
(US9346794, 49)
Show SMILES Cc1noc(c1C)-n1cc(C(=O)NCc2ccc(cc2)S(C)(=O)=NC#N)c(=O)c(c1C)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C28H24F3N5O4S/c1-16-17(2)35-40-27(16)36-14-23(25(37)24(18(36)3)20-6-5-7-21(12-20)28(29,30)31)26(38)33-13-19-8-10-22(11-9-19)41(4,39)34-15-32/h5-12,14H,13H2,1-4H3,(H,33,38)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
The following buffers were used: Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to p...


Citation and Details
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM232353
PNG
(US9346794, 59)
Show SMILES Cc1cncc(c1)-n1cc(C(=O)NCc2ccc(cc2)S(C)(=O)=NC#N)c(=O)c(c1C)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C29H24F3N5O3S/c1-18-11-23(15-34-13-18)37-16-25(27(38)26(19(37)2)21-5-4-6-22(12-21)29(30,31)32)28(39)35-14-20-7-9-24(10-8-20)41(3,40)36-17-33/h4-13,15-16H,14H2,1-3H3,(H,35,39)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
The following buffers were used: Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to p...


Citation and Details
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM232331
PNG
(US9346794, 35)
Show SMILES CC(C)n1cc(C(=O)NCc2ccc(cc2)S(C)(=O)=NS(C)(=O)=O)c(=O)c(-c2cccc(c2)C(F)F)c1C
Show InChI InChI=1S/C26H29F2N3O5S2/c1-16(2)31-15-22(24(32)23(17(31)3)19-7-6-8-20(13-19)25(27)28)26(33)29-14-18-9-11-21(12-10-18)37(4,34)30-38(5,35)36/h6-13,15-16,25H,14H2,1-5H3,(H,29,33)
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n/an/a 8n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The following buffers were used: Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to p...


Citation and Details
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM232346
PNG
(US9346794, 50)
Show SMILES Cc1cc(no1)-n1cc(C(=O)NCc2ccc(cc2)S(C)(=O)=NC#N)c(=O)c(c1C)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C27H22F3N5O4S/c1-16-11-23(34-39-16)35-14-22(25(36)24(17(35)2)19-5-4-6-20(12-19)27(28,29)30)26(37)32-13-18-7-9-21(10-8-18)40(3,38)33-15-31/h4-12,14H,13H2,1-3H3,(H,32,37)
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n/an/a 8.60n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The following buffers were used: Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to p...


Citation and Details
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM232344
PNG
(US9346794, 48)
Show SMILES Cc1cc(on1)-n1cc(C(=O)NCc2ccc(cc2)S(C)(=O)=NC#N)c(=O)c(c1C)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C27H22F3N5O4S/c1-16-11-23(39-34-16)35-14-22(25(36)24(17(35)2)19-5-4-6-20(12-19)27(28,29)30)26(37)32-13-18-7-9-21(10-8-18)40(3,38)33-15-31/h4-12,14H,13H2,1-3H3,(H,32,37)
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n/an/a 9.40n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The following buffers were used: Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to p...


Citation and Details
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM232355
PNG
(US9346794, 61)
Show SMILES CN=S(=O)(N(C)C)c1ccc(CNC(=O)c2cn(C(C)C)c(C)c(-c3cccc(c3)C(F)F)c2=O)cc1
Show InChI InChI=1S/C27H32F2N4O3S/c1-17(2)33-16-23(25(34)24(18(33)3)20-8-7-9-21(14-20)26(28)29)27(35)31-15-19-10-12-22(13-11-19)37(36,30-4)32(5)6/h7-14,16-17,26H,15H2,1-6H3,(H,31,35)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
The following buffers were used: Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to p...


Citation and Details
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM232342
PNG
(US9346794, 46)
Show SMILES Cc1c(-c2ccnc(c2)C(F)(F)F)c(=O)c(cn1-c1ccncc1)C(=O)NCc1ccc(cc1)S(C)(=O)=NC#N
Show InChI InChI=1S/C27H21F3N6O3S/c1-17-24(19-7-12-33-23(13-19)27(28,29)30)25(37)22(15-36(17)20-8-10-32-11-9-20)26(38)34-14-18-3-5-21(6-4-18)40(2,39)35-16-31/h3-13,15H,14H2,1-2H3,(H,34,38)
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n/an/a 11.7n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The following buffers were used: Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to p...


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More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM232299
PNG
(US9346794, 3 | US9346794, 3A | US9346794, 3B)
Show SMILES CC(C)n1cc(C(=O)NCc2ccc(cc2)S(C)(=O)=NC#N)c(=O)c(c1C)-c1ccnc(c1)C(F)(F)F
Show InChI InChI=1S/C25H24F3N5O3S/c1-15(2)33-13-20(23(34)22(16(33)3)18-9-10-30-21(11-18)25(26,27)28)24(35)31-12-17-5-7-19(8-6-17)37(4,36)32-14-29/h5-11,13,15H,12H2,1-4H3,(H,31,35)
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n/an/a 12n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The following buffers were used: Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to p...


Citation and Details
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM232339
PNG
(US9346794, 43)
Show SMILES Cc1c(-c2ccnc(c2)C(F)(F)F)c(=O)c(cn1-c1ccccc1)C(=O)NCc1ccc(cc1)S(C)(=O)=NC#N
Show InChI InChI=1S/C28H22F3N5O3S/c1-18-25(20-12-13-33-24(14-20)28(29,30)31)26(37)23(16-36(18)21-6-4-3-5-7-21)27(38)34-15-19-8-10-22(11-9-19)40(2,39)35-17-32/h3-14,16H,15H2,1-2H3,(H,34,38)
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n/an/a 13.4n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The following buffers were used: Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to p...


Citation and Details
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM232341
PNG
(US9346794, 45)
Show SMILES Cc1c(-c2ccnc(c2)C(F)(F)F)c(=O)c(cn1-c1cccnc1)C(=O)NCc1ccc(cc1)S(C)(=O)=NC#N
Show InChI InChI=1S/C27H21F3N6O3S/c1-17-24(19-9-11-33-23(12-19)27(28,29)30)25(37)22(15-36(17)20-4-3-10-32-14-20)26(38)34-13-18-5-7-21(8-6-18)40(2,39)35-16-31/h3-12,14-15H,13H2,1-2H3,(H,34,38)
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n/an/a 14.4n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The following buffers were used: Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to p...


Citation and Details
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM232340
PNG
(US9346794, 44)
Show SMILES Cc1c(-c2ccnc(c2)C(F)(F)F)c(=O)c(cn1-c1ccccn1)C(=O)NCc1ccc(cc1)S(C)(=O)=NC#N
Show InChI InChI=1S/C27H21F3N6O3S/c1-17-24(19-10-12-32-22(13-19)27(28,29)30)25(37)21(15-36(17)23-5-3-4-11-33-23)26(38)34-14-18-6-8-20(9-7-18)40(2,39)35-16-31/h3-13,15H,14H2,1-2H3,(H,34,38)
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n/an/a 14.9n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The following buffers were used: Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to p...


Citation and Details
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM232354
PNG
(US9346794, 60)
Show SMILES CN=S(=O)(N(C)C)c1ccc(CNC(=O)c2cn(C(C)C)c(C)c(-c3cccc(c3)C(F)(F)F)c2=O)cc1
Show InChI InChI=1S/C27H31F3N4O3S/c1-17(2)34-16-23(25(35)24(18(34)3)20-8-7-9-21(14-20)27(28,29)30)26(36)32-15-19-10-12-22(13-11-19)38(37,31-4)33(5)6/h7-14,16-17H,15H2,1-6H3,(H,32,36)
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n/an/a 22n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The following buffers were used: Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to p...


Citation and Details
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM232358
PNG
(US9346794, 64)
Show SMILES CC(C)n1cc(C(=O)NCc2ccc(cc2)S(C)(=O)=NCC#N)c(=O)c(c1C)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C27H27F3N4O3S/c1-17(2)34-16-23(25(35)24(18(34)3)20-6-5-7-21(14-20)27(28,29)30)26(36)32-15-19-8-10-22(11-9-19)38(4,37)33-13-12-31/h5-11,14,16-17H,13,15H2,1-4H3,(H,32,36)
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n/an/a 24.5n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The following buffers were used: Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to p...


Citation and Details
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM232361
PNG
(US9346794, 67)
Show SMILES CN=S(C)(=O)c1ccc(CNC(=O)c2cn(C(C)C)c(C)c(-c3cccc(c3)C(F)(F)F)c2=O)cc1
Show InChI InChI=1S/C26H28F3N3O3S/c1-16(2)32-15-22(25(34)31-14-18-9-11-21(12-10-18)36(5,35)30-4)24(33)23(17(32)3)19-7-6-8-20(13-19)26(27,28)29/h6-13,15-16H,14H2,1-5H3,(H,31,34)
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n/an/a 49.3n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The following buffers were used: Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to p...


Citation and Details
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM232359
PNG
(US9346794, 65)
Show SMILES CC(C)n1cc(C(=O)NC(C)c2ccc(cc2)S(C)(=O)=NC#N)c(=O)c(-c2cccc(c2)C(F)(F)F)c1C
Show InChI InChI=1S/C27H27F3N4O3S/c1-16(2)34-14-23(25(35)24(18(34)4)20-7-6-8-21(13-20)27(28,29)30)26(36)33-17(3)19-9-11-22(12-10-19)38(5,37)32-15-31/h6-14,16-17H,1-5H3,(H,33,36)
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n/an/a 57.1n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The following buffers were used: Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to p...


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