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Patent code US9458113

Compile Data Set for Download or QSAR
Found 187 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))
BDBM252320
PNG
(US9458113, 1.74)
Show SMILES CN(Cc1nccn1C)C(=O)c1cc(ccc1C1N(C)C(=O)N(C2=C1C(=O)CC2)c1cccc(c1)C(F)(F)F)C#N
Show InChI InChI=1S/C29H25F3N6O3/c1-35-12-11-34-24(35)16-36(2)27(40)21-13-17(15-33)7-8-20(21)26-25-22(9-10-23(25)39)38(28(41)37(26)3)19-6-4-5-18(14-19)29(30,31)32/h4-8,11-14,26H,9-10,16H2,1-3H3
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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))
BDBM252402
PNG
(US9458113, 14.2)
Show SMILES CN1C(C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1C1=CCNCC1)C#N
Show InChI InChI=1S/C27H23F3N4O2/c1-33-25(20-6-5-16(15-31)13-21(20)17-9-11-32-12-10-17)24-22(7-8-23(24)35)34(26(33)36)19-4-2-3-18(14-19)27(28,29)30/h2-6,9,13-14,25,32H,7-8,10-12H2,1H3
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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))
BDBM252396
PNG
(US9458113, 11.16)
Show SMILES CN1C(C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1-c1ccc(=O)n(C)c1)C#N
Show InChI InChI=1S/C28H21F3N4O3/c1-33-15-17(7-11-24(33)37)21-12-16(14-32)6-8-20(21)26-25-22(9-10-23(25)36)35(27(38)34(26)2)19-5-3-4-18(13-19)28(29,30)31/h3-8,11-13,15,26H,9-10H2,1-2H3
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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))
BDBM252389
PNG
(US9458113, 11.9)
Show SMILES CN1C(C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1-c1ccncc1)C#N
Show InChI InChI=1S/C27H19F3N4O2/c1-33-25(20-6-5-16(15-31)13-21(20)17-9-11-32-12-10-17)24-22(7-8-23(24)35)34(26(33)36)19-4-2-3-18(14-19)27(28,29)30/h2-6,9-14,25H,7-8H2,1H3
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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))
BDBM252362
PNG
(US9458113, 6 | US9458113, 7a)
Show SMILES CN1C(C2=C(CCCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1C(N)=O)C#N
Show InChI InChI=1S/C24H19F3N4O3/c1-30-21(16-9-8-13(12-28)10-17(16)22(29)33)20-18(6-3-7-19(20)32)31(23(30)34)15-5-2-4-14(11-15)24(25,26)27/h2,4-5,8-11,21H,3,6-7H2,1H3,(H2,29,33)
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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))
BDBM252318
PNG
(US9458113, 1.72)
Show SMILES CN(Cc1cncn1C)C(=O)c1cc(ccc1C1N(C)C(=O)N(C2=C1C(=O)CC2)c1cccc(c1)C(F)(F)F)C#N
Show InChI InChI=1S/C29H25F3N6O3/c1-35(15-20-14-34-16-36(20)2)27(40)22-11-17(13-33)7-8-21(22)26-25-23(9-10-24(25)39)38(28(41)37(26)3)19-6-4-5-18(12-19)29(30,31)32/h4-8,11-12,14,16,26H,9-10,15H2,1-3H3
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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))
BDBM252286
PNG
(US9458113, 1.40)
Show SMILES CN1C(C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1C(=O)NCc1cnco1)C#N
Show InChI InChI=1S/C27H20F3N5O4/c1-34-24(19-6-5-15(11-31)9-20(19)25(37)33-13-18-12-32-14-39-18)23-21(7-8-22(23)36)35(26(34)38)17-4-2-3-16(10-17)27(28,29)30/h2-6,9-10,12,14,24H,7-8,13H2,1H3,(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))
BDBM252401
PNG
(US9458113, 14)
Show SMILES CN1C(C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1C1=CCNC1)C#N
Show InChI InChI=1S/C26H21F3N4O2/c1-32-24(19-6-5-15(13-30)11-20(19)16-9-10-31-14-16)23-21(7-8-22(23)34)33(25(32)35)18-4-2-3-17(12-18)26(27,28)29/h2-6,9,11-12,24,31H,7-8,10,14H2,1H3
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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))
BDBM252382
PNG
(US9458113, 11.2)
Show SMILES CN1C(C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1-c1cnn(C)c1)C#N
Show InChI InChI=1S/C26H20F3N5O2/c1-32-14-16(13-31-32)20-10-15(12-30)6-7-19(20)24-23-21(8-9-22(23)35)34(25(36)33(24)2)18-5-3-4-17(11-18)26(27,28)29/h3-7,10-11,13-14,24H,8-9H2,1-2H3
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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))
BDBM252314
PNG
(US9458113, 1.68)
Show SMILES CN1C(C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1C(=O)N1CCn2ccnc2C1)C#N
Show InChI InChI=1S/C29H23F3N6O3/c1-35-26(20-6-5-17(15-33)13-21(20)27(40)37-12-11-36-10-9-34-24(36)16-37)25-22(7-8-23(25)39)38(28(35)41)19-4-2-3-18(14-19)29(30,31)32/h2-6,9-10,13-14,26H,7-8,11-12,16H2,1H3
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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))
BDBM252303
PNG
(US9458113, 1.57)
Show SMILES CN(Cc1cn[nH]c1)C(=O)c1cc(ccc1C1N(C)C(=O)N(C2=C1C(=O)CC2)c1cccc(c1)C(F)(F)F)C#N
Show InChI InChI=1S/C28H23F3N6O3/c1-35(15-17-13-33-34-14-17)26(39)21-10-16(12-32)6-7-20(21)25-24-22(8-9-23(24)38)37(27(40)36(25)2)19-5-3-4-18(11-19)28(29,30)31/h3-7,10-11,13-14,25H,8-9,15H2,1-2H3,(H,33,34)
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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))
BDBM252427
PNG
(US9458113, 20.b)
Show SMILES CN1[C@@H](C2=C(CCCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1-c1ccn(C)c(=O)c1)C#N
Show InChI InChI=1S/C29H23F3N4O3/c1-34-12-11-18(14-25(34)38)22-13-17(16-33)9-10-21(22)27-26-23(7-4-8-24(26)37)36(28(39)35(27)2)20-6-3-5-19(15-20)29(30,31)32/h3,5-6,9-15,27H,4,7-8H2,1-2H3/t27-/m1/s1
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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))
BDBM252414
PNG
(US9458113, 16)
Show SMILES CN1C(C2=C(CCCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1C1=CCNCC1)C#N
Show InChI InChI=1S/C28H25F3N4O2/c1-34-26(21-9-8-17(16-32)14-22(21)18-10-12-33-13-11-18)25-23(6-3-7-24(25)36)35(27(34)37)20-5-2-4-19(15-20)28(29,30)31/h2,4-5,8-10,14-15,26,33H,3,6-7,11-13H2,1H3
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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))
BDBM252391
PNG
(US9458113, 11.11)
Show SMILES CN1C(C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1C1=CCOCC1)C#N
Show InChI InChI=1S/C27H22F3N3O3/c1-32-25(20-6-5-16(15-31)13-21(20)17-9-11-36-12-10-17)24-22(7-8-23(24)34)33(26(32)35)19-4-2-3-18(14-19)27(28,29)30/h2-6,9,13-14,25H,7-8,10-12H2,1H3
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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))
BDBM252317
PNG
(US9458113, 1.71)
Show SMILES CN(Cc1ccnn1C)C(=O)c1cc(ccc1C1N(C)C(=O)N(C2=C1C(=O)CC2)c1cccc(c1)C(F)(F)F)C#N
Show InChI InChI=1S/C29H25F3N6O3/c1-35(16-20-11-12-34-37(20)3)27(40)22-13-17(15-33)7-8-21(22)26-25-23(9-10-24(25)39)38(28(41)36(26)2)19-6-4-5-18(14-19)29(30,31)32/h4-8,11-14,26H,9-10,16H2,1-3H3
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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))
BDBM252306
PNG
(US9458113, 1.60)
Show SMILES CN(Cc1ccno1)C(=O)c1cc(ccc1C1N(C)C(=O)N(C2=C1C(=O)CC2)c1cccc(c1)C(F)(F)F)C#N
Show InChI InChI=1S/C28H22F3N5O4/c1-34(15-19-10-11-33-40-19)26(38)21-12-16(14-32)6-7-20(21)25-24-22(8-9-23(24)37)36(27(39)35(25)2)18-5-3-4-17(13-18)28(29,30)31/h3-7,10-13,25H,8-9,15H2,1-2H3
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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))
BDBM252272
PNG
(US9458113, 1.27)
Show SMILES CN(Cc1cnn(C)c1)C(=O)c1cc(ccc1C1N(C)C(=O)N(C2=C1C(=O)CC2)c1cccc(c1)C(F)(F)F)C#N
Show InChI InChI=1S/C29H25F3N6O3/c1-35(15-18-14-34-36(2)16-18)27(40)22-11-17(13-33)7-8-21(22)26-25-23(9-10-24(25)39)38(28(41)37(26)3)20-6-4-5-19(12-20)29(30,31)32/h4-8,11-12,14,16,26H,9-10,15H2,1-3H3
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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))
BDBM252385
PNG
(US9458113, 11.5)
Show SMILES CN1C(C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1C1=CCCO1)C#N
Show InChI InChI=1S/C26H20F3N3O3/c1-31-24(18-8-7-15(14-30)12-19(18)22-6-3-11-35-22)23-20(9-10-21(23)33)32(25(31)34)17-5-2-4-16(13-17)26(27,28)29/h2,4-8,12-13,24H,3,9-11H2,1H3
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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))
BDBM252430
PNG
(US9458113, 23)
Show SMILES CN1[C@@H](C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1-c1ccc(=O)n(C)c1)C#N
Show InChI InChI=1S/C28H21F3N4O3/c1-33-15-17(7-11-24(33)37)21-12-16(14-32)6-8-20(21)26-25-22(9-10-23(25)36)35(27(38)34(26)2)19-5-3-4-18(13-19)28(29,30)31/h3-8,11-13,15,26H,9-10H2,1-2H3/t26-/m1/s1
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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))
BDBM252366
PNG
(US9458113, 6.4)
Show SMILES CN(C)C(=O)c1cc(ccc1C1N(C)C(=O)N(C2=C1C(=O)CCC2)c1cccc(c1)C(F)(F)F)C#N
Show InChI InChI=1S/C26H23F3N4O3/c1-31(2)24(35)19-12-15(14-30)10-11-18(19)23-22-20(8-5-9-21(22)34)33(25(36)32(23)3)17-7-4-6-16(13-17)26(27,28)29/h4,6-7,10-13,23H,5,8-9H2,1-3H3
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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))
BDBM252334
PNG
(US9458113, 2.2)
Show SMILES CN(C)C(=O)c1cc(ccc1[C@H]1N(C)C(=O)N(C2=C1C(=O)CC2)c1cccc(c1)C(F)(F)F)C#N
Show InChI InChI=1S/C25H21F3N4O3/c1-30(2)23(34)18-11-14(13-29)7-8-17(18)22-21-19(9-10-20(21)33)32(24(35)31(22)3)16-6-4-5-15(12-16)25(26,27)28/h4-8,11-12,22H,9-10H2,1-3H3/t22-/m1/s1
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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))
BDBM252305
PNG
(US9458113, 1.59)
Show SMILES CN(Cc1ccon1)C(=O)c1cc(ccc1C1N(C)C(=O)N(C2=C1C(=O)CC2)c1cccc(c1)C(F)(F)F)C#N
Show InChI InChI=1S/C28H22F3N5O4/c1-34(15-18-10-11-40-33-18)26(38)21-12-16(14-32)6-7-20(21)25-24-22(8-9-23(24)37)36(27(39)35(25)2)19-5-3-4-17(13-19)28(29,30)31/h3-7,10-13,25H,8-9,15H2,1-2H3
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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))
BDBM252387
PNG
(US9458113, 11.7)
Show SMILES CN1C(C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1-c1ccn(C)c(=O)c1)C#N
Show InChI InChI=1S/C28H21F3N4O3/c1-33-11-10-17(13-24(33)37)21-12-16(15-32)6-7-20(21)26-25-22(8-9-23(25)36)35(27(38)34(26)2)19-5-3-4-18(14-19)28(29,30)31/h3-7,10-14,26H,8-9H2,1-2H3
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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))
BDBM252379
PNG
(US9458113, 10)
Show SMILES CN1C(C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1-c1cnco1)C#N
Show InChI InChI=1S/C25H17F3N4O3/c1-31-23(17-6-5-14(11-29)9-18(17)21-12-30-13-35-21)22-19(7-8-20(22)33)32(24(31)34)16-4-2-3-15(10-16)25(26,27)28/h2-6,9-10,12-13,23H,7-8H2,1H3
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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))
BDBM252411
PNG
(US9458113, 15.8)
Show SMILES CN1C(C2=C(CCCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1-c1ccn(C)c(=O)c1)C#N
Show InChI InChI=1S/C29H23F3N4O3/c1-34-12-11-18(14-25(34)38)22-13-17(16-33)9-10-21(22)27-26-23(7-4-8-24(26)37)36(28(39)35(27)2)20-6-3-5-19(15-20)29(30,31)32/h3,5-6,9-15,27H,4,7-8H2,1-2H3
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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))
BDBM252338
PNG
(US9458113, 3.1)
Show SMILES CN(C)CCN(C)C(=O)c1cc(ccc1C1N(C)C(=O)N(C2=C1C(=O)CC2)c1cccc(c1)C(F)(F)F)C#N
Show InChI InChI=1S/C28H28F3N5O3/c1-33(2)12-13-34(3)26(38)21-14-17(16-32)8-9-20(21)25-24-22(10-11-23(24)37)36(27(39)35(25)4)19-7-5-6-18(15-19)28(29,30)31/h5-9,14-15,25H,10-13H2,1-4H3
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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))
BDBM252412
PNG
(US9458113, 15.9)
Show SMILES CN1C(C2=C(CCCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1C1=CCOCC1)C#N
Show InChI InChI=1S/C28H24F3N3O3/c1-33-26(21-9-8-17(16-32)14-22(21)18-10-12-37-13-11-18)25-23(6-3-7-24(25)35)34(27(33)36)20-5-2-4-19(15-20)28(29,30)31/h2,4-5,8-10,14-15,26H,3,6-7,11-13H2,1H3
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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))
BDBM252319
PNG
(US9458113, 1.73)
Show SMILES CN(Cc1ccn(C)n1)C(=O)c1cc(ccc1C1N(C)C(=O)N(C2=C1C(=O)CC2)c1cccc(c1)C(F)(F)F)C#N
Show InChI InChI=1S/C29H25F3N6O3/c1-35(16-19-11-12-36(2)34-19)27(40)22-13-17(15-33)7-8-21(22)26-25-23(9-10-24(25)39)38(28(41)37(26)3)20-6-4-5-18(14-20)29(30,31)32/h4-8,11-14,26H,9-10,16H2,1-3H3
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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))
BDBM252330
PNG
(US9458113, 1.84)
Show SMILES CN1C(C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1C(=O)N1CC[C@H](C1)NC(C)=O)C#N
Show InChI InChI=1S/C29H26F3N5O4/c1-16(38)34-19-10-11-36(15-19)27(40)22-12-17(14-33)6-7-21(22)26-25-23(8-9-24(25)39)37(28(41)35(26)2)20-5-3-4-18(13-20)29(30,31)32/h3-7,12-13,19,26H,8-11,15H2,1-2H3,(H,34,38)/t19-,26?/m1/s1
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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))
BDBM252428
PNG
(US9458113, 21)
Show SMILES CN1C(C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1-c1cncnc1)C#N
Show InChI InChI=1S/C26H18F3N5O2/c1-33-24(19-6-5-15(11-30)9-20(19)16-12-31-14-32-13-16)23-21(7-8-22(23)35)34(25(33)36)18-4-2-3-17(10-18)26(27,28)29/h2-6,9-10,12-14,24H,7-8H2,1H3
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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))
BDBM252353
PNG
(US9458113, 4.10)
Show SMILES CNCCN(C)C(=O)c1cc(ccc1C1N(C)C(=O)N(C2=C1C(=O)CC2)c1cccc(c1)C(F)(F)F)C#N
Show InChI InChI=1S/C27H26F3N5O3/c1-32-11-12-33(2)25(37)20-13-16(15-31)7-8-19(20)24-23-21(9-10-22(23)36)35(26(38)34(24)3)18-6-4-5-17(14-18)27(28,29)30/h4-8,13-14,24,32H,9-12H2,1-3H3
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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))
BDBM252374
PNG
(US9458113, 9)
Show SMILES CN1C(C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1CN1CCOCC1)C#N
Show InChI InChI=1S/C27H25F3N4O3/c1-32-25(21-6-5-17(15-31)13-18(21)16-33-9-11-37-12-10-33)24-22(7-8-23(24)35)34(26(32)36)20-4-2-3-19(14-20)27(28,29)30/h2-6,13-14,25H,7-12,16H2,1H3
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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))
BDBM252321
PNG
(US9458113, 1.75)
Show SMILES CN(Cc1nncn1C)C(=O)c1cc(ccc1C1N(C)C(=O)N(C2=C1C(=O)CC2)c1cccc(c1)C(F)(F)F)C#N
Show InChI InChI=1S/C28H24F3N7O3/c1-35(14-23-34-33-15-36(23)2)26(40)20-11-16(13-32)7-8-19(20)25-24-21(9-10-22(24)39)38(27(41)37(25)3)18-6-4-5-17(12-18)28(29,30)31/h4-8,11-12,15,25H,9-10,14H2,1-3H3
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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))
BDBM252413
PNG
(US9458113, 15.10)
Show SMILES CN1C(C2=C(CCCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1C1=COCC1)C#N
Show InChI InChI=1S/C27H22F3N3O3/c1-32-25(20-9-8-16(14-31)12-21(20)17-10-11-36-15-17)24-22(6-3-7-23(24)34)33(26(32)35)19-5-2-4-18(13-19)27(28,29)30/h2,4-5,8-9,12-13,15,25H,3,6-7,10-11H2,1H3
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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))
BDBM252362
PNG
(US9458113, 6 | US9458113, 7a)
Show SMILES CN1C(C2=C(CCCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1C(N)=O)C#N
Show InChI InChI=1S/C24H19F3N4O3/c1-30-21(16-9-8-13(12-28)10-17(16)22(29)33)20-18(6-3-7-19(20)32)31(23(30)34)15-5-2-4-14(11-15)24(25,26)27/h2,4-5,8-11,21H,3,6-7H2,1H3,(H2,29,33)
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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))
BDBM252327
PNG
(US9458113, 1.81)
Show SMILES CN(CCN1CCOCC1)C(=O)c1cc(ccc1C1N(C)C(=O)N(C2=C1C(=O)CC2)c1cccc(c1)C(F)(F)F)C#N
Show InChI InChI=1S/C30H30F3N5O4/c1-35(10-11-37-12-14-42-15-13-37)28(40)23-16-19(18-34)6-7-22(23)27-26-24(8-9-25(26)39)38(29(41)36(27)2)21-5-3-4-20(17-21)30(31,32)33/h3-7,16-17,27H,8-15H2,1-2H3
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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))
BDBM252407
PNG
(US9458113, 15.4)
Show SMILES CN1C(C2=C(CCCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1-c1cn[nH]c1)C#N
Show InChI InChI=1S/C26H20F3N5O2/c1-33-24(19-9-8-15(12-30)10-20(19)16-13-31-32-14-16)23-21(6-3-7-22(23)35)34(25(33)36)18-5-2-4-17(11-18)26(27,28)29/h2,4-5,8-11,13-14,24H,3,6-7H2,1H3,(H,31,32)
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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))
BDBM252386
PNG
(US9458113, 11.6)
Show SMILES CN1C(C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1C1=CCN(CC1)C(=O)OC(C)(C)C)C#N
Show InChI InChI=1S/C32H31F3N4O4/c1-31(2,3)43-30(42)38-14-12-20(13-15-38)24-16-19(18-36)8-9-23(24)28-27-25(10-11-26(27)40)39(29(41)37(28)4)22-7-5-6-21(17-22)32(33,34)35/h5-9,12,16-17,28H,10-11,13-15H2,1-4H3
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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))
BDBM252419
PNG
(US9458113, 18)
Show SMILES CN1C(C2=C(CCC2=O)N(C1=O)c1ccnc(c1)C(F)(F)F)c1ccc(cc1C1=CCNCC1)C#N
Show InChI InChI=1S/C26H22F3N5O2/c1-33-24(18-3-2-15(14-30)12-19(18)16-6-9-31-10-7-16)23-20(4-5-21(23)35)34(25(33)36)17-8-11-32-22(13-17)26(27,28)29/h2-3,6,8,11-13,24,31H,4-5,7,9-10H2,1H3
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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))
BDBM252311
PNG
(US9458113, 1.65)
Show SMILES CN(Cc1ccncc1)C(=O)c1cc(ccc1C1N(C)C(=O)N(C2=C1C(=O)CC2)c1cccc(c1)C(F)(F)F)C#N
Show InChI InChI=1S/C30H24F3N5O3/c1-36(17-18-10-12-35-13-11-18)28(40)23-14-19(16-34)6-7-22(23)27-26-24(8-9-25(26)39)38(29(41)37(27)2)21-5-3-4-20(15-21)30(31,32)33/h3-7,10-15,27H,8-9,17H2,1-2H3
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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))
BDBM252333
PNG
(US9458113, 2.1)
Show SMILES CNC(=O)c1cc(ccc1[C@H]1N(C)C(=O)N(C2=C1C(=O)CC2)c1cccc(c1)C(F)(F)F)C#N
Show InChI InChI=1S/C24H19F3N4O3/c1-29-22(33)17-10-13(12-28)6-7-16(17)21-20-18(8-9-19(20)32)31(23(34)30(21)2)15-5-3-4-14(11-15)24(25,26)27/h3-7,10-11,21H,8-9H2,1-2H3,(H,29,33)/t21-/m1/s1
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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))
BDBM252316
PNG
(US9458113, 1.70)
Show SMILES CN1C(C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1C(=O)N1CCn2ncnc2C1)C#N
Show InChI InChI=1S/C28H22F3N7O3/c1-35-25(19-6-5-16(13-32)11-20(19)26(40)36-9-10-37-23(14-36)33-15-34-37)24-21(7-8-22(24)39)38(27(35)41)18-4-2-3-17(12-18)28(29,30)31/h2-6,11-12,15,25H,7-10,14H2,1H3
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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))
BDBM252406
PNG
(US9458113, 15.3)
Show SMILES CN1C(C2=C(CCCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1-c1cncs1)C#N
Show InChI InChI=1S/C26H19F3N4O2S/c1-32-24(18-9-8-15(12-30)10-19(18)22-13-31-14-36-22)23-20(6-3-7-21(23)34)33(25(32)35)17-5-2-4-16(11-17)26(27,28)29/h2,4-5,8-11,13-14,24H,3,6-7H2,1H3
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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))
BDBM252288
PNG
(US9458113, 1.42)
Show SMILES CN1C(C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1C(=O)NCc1cnoc1)C#N
Show InChI InChI=1S/C27H20F3N5O4/c1-34-24(19-6-5-15(11-31)9-20(19)25(37)32-12-16-13-33-39-14-16)23-21(7-8-22(23)36)35(26(34)38)18-4-2-3-17(10-18)27(28,29)30/h2-6,9-10,13-14,24H,7-8,12H2,1H3,(H,32,37)
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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))
BDBM252383
PNG
(US9458113, 11.3)
Show SMILES CN1C(C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1-c1cncs1)C#N
Show InChI InChI=1S/C25H17F3N4O2S/c1-31-23(17-6-5-14(11-29)9-18(17)21-12-30-13-35-21)22-19(7-8-20(22)33)32(24(31)34)16-4-2-3-15(10-16)25(26,27)28/h2-6,9-10,12-13,23H,7-8H2,1H3
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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))
BDBM252432
PNG
(US9458113, 25)
Show SMILES CN1[C@@H](C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1CNC1CCOCC1)C#N
Show InChI InChI=1S/C28H27F3N4O3/c1-34-26(22-6-5-17(15-32)13-18(22)16-33-20-9-11-38-12-10-20)25-23(7-8-24(25)36)35(27(34)37)21-4-2-3-19(14-21)28(29,30)31/h2-6,13-14,20,26,33H,7-12,16H2,1H3/t26-/m1/s1
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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))
BDBM252285
PNG
(US9458113, 1.39)
Show SMILES CN1C(C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1C(=O)NCc1ccno1)C#N
Show InChI InChI=1S/C27H20F3N5O4/c1-34-24(19-6-5-15(13-31)11-20(19)25(37)32-14-18-9-10-33-39-18)23-21(7-8-22(23)36)35(26(34)38)17-4-2-3-16(12-17)27(28,29)30/h2-6,9-12,24H,7-8,14H2,1H3,(H,32,37)
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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))
BDBM252431
PNG
(US9458113, 24)
Show SMILES CN1[C@@H](C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1CNC(C)(C)C)C#N
Show InChI InChI=1S/C27H27F3N4O2/c1-26(2,3)32-15-17-12-16(14-31)8-9-20(17)24-23-21(10-11-22(23)35)34(25(36)33(24)4)19-7-5-6-18(13-19)27(28,29)30/h5-9,12-13,24,32H,10-11,15H2,1-4H3/t24-/m1/s1
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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))
BDBM252348
PNG
(US9458113, 4.5)
Show SMILES CN(CCN)C(=O)c1cc(ccc1C1N(C)C(=O)N(C2=C1C(=O)CC2)c1cccc(c1)C(F)(F)F)C#N
Show InChI InChI=1S/C26H24F3N5O3/c1-32(11-10-30)24(36)19-12-15(14-31)6-7-18(19)23-22-20(8-9-21(22)35)34(25(37)33(23)2)17-5-3-4-16(13-17)26(27,28)29/h3-7,12-13,23H,8-11,30H2,1-2H3
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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))
BDBM252289
PNG
(US9458113, 1.43)
Show SMILES CN1C(C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1C(=O)NCc1ccon1)C#N
Show InChI InChI=1S/C27H20F3N5O4/c1-34-24(19-6-5-15(13-31)11-20(19)25(37)32-14-17-9-10-39-33-17)23-21(7-8-22(23)36)35(26(34)38)18-4-2-3-16(12-18)27(28,29)30/h2-6,9-12,24H,7-8,14H2,1H3,(H,32,37)
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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))
BDBM252398
PNG
(US9458113, 13)
Show SMILES CN1C(C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1-c1nnco1)C#N
Show InChI InChI=1S/C24H16F3N5O3/c1-31-21(16-6-5-13(11-28)9-17(16)22-30-29-12-35-22)20-18(7-8-19(20)33)32(23(31)34)15-4-2-3-14(10-15)24(25,26)27/h2-6,9-10,12,21H,7-8H2,1H3
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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))
BDBM252375
PNG
(US9458113, 9.1)
Show SMILES CC(C)NCc1cc(ccc1C1N(C)C(=O)N(C2=C1C(=O)CC2)c1cccc(c1)C(F)(F)F)C#N
Show InChI InChI=1S/C26H25F3N4O2/c1-15(2)31-14-17-11-16(13-30)7-8-20(17)24-23-21(9-10-22(23)34)33(25(35)32(24)3)19-6-4-5-18(12-19)26(27,28)29/h4-8,11-12,15,24,31H,9-10,14H2,1-3H3
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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))
BDBM252252
PNG
(US9458113, 1.7)
Show SMILES CN1C(C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1C(=O)N1CCC1)C#N
Show InChI InChI=1S/C26H21F3N4O3/c1-31-23(18-7-6-15(14-30)12-19(18)24(35)32-10-3-11-32)22-20(8-9-21(22)34)33(25(31)36)17-5-2-4-16(13-17)26(27,28)29/h2,4-7,12-13,23H,3,8-11H2,1H3
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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))
BDBM252329
PNG
(US9458113, 1.83)
Show SMILES CN1C(C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1C(=O)N1CC[C@@H](C1)NC(C)=O)C#N
Show InChI InChI=1S/C29H26F3N5O4/c1-16(38)34-19-10-11-36(15-19)27(40)22-12-17(14-33)6-7-21(22)26-25-23(8-9-24(25)39)37(28(41)35(26)2)20-5-3-4-18(13-20)29(30,31)32/h3-7,12-13,19,26H,8-11,15H2,1-2H3,(H,34,38)/t19-,26?/m0/s1
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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))
BDBM252378
PNG
(US9458113, 9.4)
Show SMILES CNCc1cc(ccc1C1N(C)C(=O)N(C2=C1C(=O)CC2)c1cccc(c1)C(F)(F)F)C#N
Show InChI InChI=1S/C24H21F3N4O2/c1-29-13-15-10-14(12-28)6-7-18(15)22-21-19(8-9-20(21)32)31(23(33)30(22)2)17-5-3-4-16(11-17)24(25,26)27/h3-7,10-11,22,29H,8-9,13H2,1-2H3
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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))
BDBM252299
PNG
(US9458113, 1.53)
Show SMILES CN1C(C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1C(=O)NCc1ccn(C)n1)C#N
Show InChI InChI=1S/C28H23F3N6O3/c1-35-11-10-18(34-35)15-33-26(39)21-12-16(14-32)6-7-20(21)25-24-22(8-9-23(24)38)37(27(40)36(25)2)19-5-3-4-17(13-19)28(29,30)31/h3-7,10-13,25H,8-9,15H2,1-2H3,(H,33,39)
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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))
BDBM252399
PNG
(US9458113, 13.1)
Show SMILES CN1C(C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1-c1nnc(C)o1)C#N
Show InChI InChI=1S/C25H18F3N5O3/c1-13-30-31-23(36-13)18-10-14(12-29)6-7-17(18)22-21-19(8-9-20(21)34)33(24(35)32(22)2)16-5-3-4-15(11-16)25(26,27)28/h3-7,10-11,22H,8-9H2,1-2H3
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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))
BDBM252282
PNG
(US9458113, 1.36)
Show SMILES CN1C(C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1C(=O)NCc1ccco1)C#N
Show InChI InChI=1S/C28H21F3N4O4/c1-34-25(20-8-7-16(14-32)12-21(20)26(37)33-15-19-6-3-11-39-19)24-22(9-10-23(24)36)35(27(34)38)18-5-2-4-17(13-18)28(29,30)31/h2-8,11-13,25H,9-10,15H2,1H3,(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))
BDBM252280
PNG
(US9458113, 1.34.)
Show SMILES CN1C(C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1C(=O)N1CCn2cnnc2C1)C#N
Show InChI InChI=1S/C28H22F3N7O3/c1-35-25(19-6-5-16(13-32)11-20(19)26(40)36-9-10-37-15-33-34-23(37)14-36)24-21(7-8-22(24)39)38(27(35)41)18-4-2-3-17(12-18)28(29,30)31/h2-6,11-12,15,25H,7-10,14H2,1H3
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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))
BDBM252323
PNG
(US9458113, 1.77)
Show SMILES CN([C@H]1CCN(C1)C(=O)c1cc(ccc1C1N(C)C(=O)N(C2=C1C(=O)CC2)c1cccc(c1)C(F)(F)F)C#N)C(C)=O
Show InChI InChI=1S/C30H28F3N5O4/c1-17(39)35(2)21-11-12-37(16-21)28(41)23-13-18(15-34)7-8-22(23)27-26-24(9-10-25(26)40)38(29(42)36(27)3)20-6-4-5-19(14-20)30(31,32)33/h4-8,13-14,21,27H,9-12,16H2,1-3H3/t21-,27?/m0/s1
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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))
BDBM252426
PNG
(US9458113, 19.6)
Show SMILES FC(F)(F)c1cccc(c1)N1C2=C(C(NC1=O)c1ccc(cc1-c1cnco1)C#N)C(=O)CC2
Show InChI InChI=1S/C24H15F3N4O3/c25-24(26,27)14-2-1-3-15(9-14)31-18-6-7-19(32)21(18)22(30-23(31)33)16-5-4-13(10-28)8-17(16)20-11-29-12-34-20/h1-5,8-9,11-12,22H,6-7H2,(H,30,33)
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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))
BDBM252424
PNG
(US9458113, 19.4)
Show SMILES Cn1cc(ccc1=O)-c1cc(ccc1C1NC(=O)N(C2=C1C(=O)CC2)c1cccc(c1)C(F)(F)F)C#N
Show InChI InChI=1S/C27H19F3N4O3/c1-33-14-16(6-10-23(33)36)20-11-15(13-31)5-7-19(20)25-24-21(8-9-22(24)35)34(26(37)32-25)18-4-2-3-17(12-18)27(28,29)30/h2-7,10-12,14,25H,8-9H2,1H3,(H,32,37)
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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))
BDBM252304
PNG
(US9458113, 1.58)
Show SMILES CN1C(C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1C(=O)NCc1nccn1C)C#N
Show InChI InChI=1S/C28H23F3N6O3/c1-35-11-10-33-23(35)15-34-26(39)20-12-16(14-32)6-7-19(20)25-24-21(8-9-22(24)38)37(27(40)36(25)2)18-5-3-4-17(13-18)28(29,30)31/h3-7,10-13,25H,8-9,15H2,1-2H3,(H,34,39)
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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))
BDBM252405
PNG
(US9458113, 15.2)
Show SMILES CN1C(C2=C(CCCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1-c1cnn(C)c1)C#N
Show InChI InChI=1S/C27H22F3N5O2/c1-33-15-17(14-32-33)21-11-16(13-31)9-10-20(21)25-24-22(7-4-8-23(24)36)35(26(37)34(25)2)19-6-3-5-18(12-19)27(28,29)30/h3,5-6,9-12,14-15,25H,4,7-8H2,1-2H3
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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))
BDBM252332
PNG
(US9458113, 2)
Show SMILES CN1[C@@H](C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1C(N)=O)C#N
Show InChI InChI=1S/C23H17F3N4O3/c1-29-20(15-6-5-12(11-27)9-16(15)21(28)32)19-17(7-8-18(19)31)30(22(29)33)14-4-2-3-13(10-14)23(24,25)26/h2-6,9-10,20H,7-8H2,1H3,(H2,28,32)/t20-/m1/s1
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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))
BDBM252308
PNG
(US9458113, 1.62)
Show SMILES CN1C(C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1C(=O)NCc1nnnn1C)C#N
Show InChI InChI=1S/C26H21F3N8O3/c1-35-23(17-7-6-14(12-30)10-18(17)24(39)31-13-21-32-33-34-36(21)2)22-19(8-9-20(22)38)37(25(35)40)16-5-3-4-15(11-16)26(27,28)29/h3-7,10-11,23H,8-9,13H2,1-2H3,(H,31,39)
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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))
BDBM252256
PNG
(US9458113, 1.11)
Show SMILES CN1C(C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1C(=O)N1CC(O)C1)C#N
Show InChI InChI=1S/C26H21F3N4O4/c1-31-23(18-6-5-14(11-30)9-19(18)24(36)32-12-17(34)13-32)22-20(7-8-21(22)35)33(25(31)37)16-4-2-3-15(10-16)26(27,28)29/h2-6,9-10,17,23,34H,7-8,12-13H2,1H3
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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))
BDBM252384
PNG
(US9458113, 11.4)
Show SMILES CN1C(C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1C1=CCN(C1)C(=O)OC(C)(C)C)C#N
Show InChI InChI=1S/C31H29F3N4O4/c1-30(2,3)42-29(41)37-13-12-19(17-37)23-14-18(16-35)8-9-22(23)27-26-24(10-11-25(26)39)38(28(40)36(27)4)21-7-5-6-20(15-21)31(32,33)34/h5-9,12,14-15,27H,10-11,13,17H2,1-4H3
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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))
BDBM252324
PNG
(US9458113, 1.78)
Show SMILES CN([C@@H]1CCN(C1)C(=O)c1cc(ccc1C1N(C)C(=O)N(C2=C1C(=O)CC2)c1cccc(c1)C(F)(F)F)C#N)C(C)=O
Show InChI InChI=1S/C30H28F3N5O4/c1-17(39)35(2)21-11-12-37(16-21)28(41)23-13-18(15-34)7-8-22(23)27-26-24(9-10-25(26)40)38(29(42)36(27)3)20-6-4-5-19(14-20)30(31,32)33/h4-8,13-14,21,27H,9-12,16H2,1-3H3/t21-,27?/m1/s1
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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))
BDBM252400
PNG
(US9458113, 13.2)
Show SMILES CN1C(C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1-c1nc(C)no1)C#N
Show InChI InChI=1S/C25H18F3N5O3/c1-13-30-23(36-31-13)18-10-14(12-29)6-7-17(18)22-21-19(8-9-20(21)34)33(24(35)32(22)2)16-5-3-4-15(11-16)25(26,27)28/h3-7,10-11,22H,8-9H2,1-2H3
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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))
BDBM252404
PNG
(US9458113, 15.1)
Show SMILES CN1C(C2=C(CCCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1-c1ccn(C)n1)C#N
Show InChI InChI=1S/C27H22F3N5O2/c1-33-12-11-21(32-33)20-13-16(15-31)9-10-19(20)25-24-22(7-4-8-23(24)36)35(26(37)34(25)2)18-6-3-5-17(14-18)27(28,29)30/h3,5-6,9-14,25H,4,7-8H2,1-2H3
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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))
BDBM252335
PNG
(US9458113, 2.3)
Show SMILES CN1[C@@H](C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1C(=O)N1CCOCC1)C#N
Show InChI InChI=1S/C27H23F3N4O4/c1-32-24(19-6-5-16(15-31)13-20(19)25(36)33-9-11-38-12-10-33)23-21(7-8-22(23)35)34(26(32)37)18-4-2-3-17(14-18)27(28,29)30/h2-6,13-14,24H,7-12H2,1H3/t24-/m1/s1
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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))
BDBM252296
PNG
(US9458113, 1.50)
Show SMILES CN1C(C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1C(=O)NCc1cccnn1)C#N
Show InChI InChI=1S/C28H21F3N6O3/c1-36-25(20-8-7-16(14-32)12-21(20)26(39)33-15-18-5-3-11-34-35-18)24-22(9-10-23(24)38)37(27(36)40)19-6-2-4-17(13-19)28(29,30)31/h2-8,11-13,25H,9-10,15H2,1H3,(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))
BDBM252258
PNG
(US9458113, 1.13)
Show SMILES CN(CCO)C(=O)c1cc(ccc1C1N(C)C(=O)N(C2=C1C(=O)CC2)c1cccc(c1)C(F)(F)F)C#N
Show InChI InChI=1S/C26H23F3N4O4/c1-31(10-11-34)24(36)19-12-15(14-30)6-7-18(19)23-22-20(8-9-21(22)35)33(25(37)32(23)2)17-5-3-4-16(13-17)26(27,28)29/h3-7,12-13,23,34H,8-11H2,1-2H3
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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))
BDBM252377
PNG
(US9458113, 9.3)
Show SMILES CN1C(C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1CNC1CCOCC1)C#N
Show InChI InChI=1S/C28H27F3N4O3/c1-34-26(22-6-5-17(15-32)13-18(22)16-33-20-9-11-38-12-10-20)25-23(7-8-24(25)36)35(27(34)37)21-4-2-3-19(14-21)28(29,30)31/h2-6,13-14,20,26,33H,7-12,16H2,1H3
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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))
BDBM252363
PNG
(US9458113, 6.1)
Show SMILES CN1C(C2=C(CCCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1C(=O)N1CCOCC1)C#N
Show InChI InChI=1S/C28H25F3N4O4/c1-33-25(20-9-8-17(16-32)14-21(20)26(37)34-10-12-39-13-11-34)24-22(6-3-7-23(24)36)35(27(33)38)19-5-2-4-18(15-19)28(29,30)31/h2,4-5,8-9,14-15,25H,3,6-7,10-13H2,1H3
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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))
BDBM252325
PNG
(US9458113, 1.79)
Show SMILES CN1C(C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1C(=O)N1CCC(C1)N1CCOCC1)C#N
Show InChI InChI=1S/C31H30F3N5O4/c1-36-28(27-25(7-8-26(27)40)39(30(36)42)21-4-2-3-20(16-21)31(32,33)34)23-6-5-19(17-35)15-24(23)29(41)38-10-9-22(18-38)37-11-13-43-14-12-37/h2-6,15-16,22,28H,7-14,18H2,1H3
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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))
BDBM252250
PNG
(US9458113, 1.5)
Show SMILES CN1C(C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1C(=O)NCC#N)C#N
Show InChI InChI=1S/C25H18F3N5O3/c1-32-22(17-6-5-14(13-30)11-18(17)23(35)31-10-9-29)21-19(7-8-20(21)34)33(24(32)36)16-4-2-3-15(12-16)25(26,27)28/h2-6,11-12,22H,7-8,10H2,1H3,(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))
BDBM252336
PNG
(US9458113, 2.4)
Show SMILES CN1CCN(CC1)C(=O)c1cc(ccc1[C@H]1N(C)C(=O)N(C2=C1C(=O)CC2)c1cccc(c1)C(F)(F)F)C#N
Show InChI InChI=1S/C28H26F3N5O3/c1-33-10-12-35(13-11-33)26(38)21-14-17(16-32)6-7-20(21)25-24-22(8-9-23(24)37)36(27(39)34(25)2)19-5-3-4-18(15-19)28(29,30)31/h3-7,14-15,25H,8-13H2,1-2H3/t25-/m1/s1
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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))
BDBM252390
PNG
(US9458113, 11.10)
Show SMILES CN1C(C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1-c1cccnc1)C#N
Show InChI InChI=1S/C27H19F3N4O2/c1-33-25(20-8-7-16(14-31)12-21(20)17-4-3-11-32-15-17)24-22(9-10-23(24)35)34(26(33)36)19-6-2-5-18(13-19)27(28,29)30/h2-8,11-13,15,25H,9-10H2,1H3
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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))
BDBM252346
PNG
(US9458113, 4.3)
Show SMILES CN1C(C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1C(=O)NCCN)C#N
Show InChI InChI=1S/C25H22F3N5O3/c1-32-22(17-6-5-14(13-30)11-18(17)23(35)31-10-9-29)21-19(7-8-20(21)34)33(24(32)36)16-4-2-3-15(12-16)25(26,27)28/h2-6,11-12,22H,7-10,29H2,1H3,(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))
BDBM252403
PNG
(US9458113, 15)
Show SMILES CN1C(C2=C(CCCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1-c1ccoc1)C#N
Show InChI InChI=1S/C27H20F3N3O3/c1-32-25(20-9-8-16(14-31)12-21(20)17-10-11-36-15-17)24-22(6-3-7-23(24)34)33(26(32)35)19-5-2-4-18(13-19)27(28,29)30/h2,4-5,8-13,15,25H,3,6-7H2,1H3
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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))
BDBM252350
PNG
(US9458113, 4.7)
Show SMILES CN1C(C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1C(=O)N1CC[C@H](N)C1)C#N
Show InChI InChI=1S/C27H24F3N5O3/c1-33-24(19-6-5-15(13-31)11-20(19)25(37)34-10-9-17(32)14-34)23-21(7-8-22(23)36)35(26(33)38)18-4-2-3-16(12-18)27(28,29)30/h2-6,11-12,17,24H,7-10,14,32H2,1H3/t17-,24?/m0/s1
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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))
BDBM252388
PNG
(US9458113, 11.8)
Show SMILES CN1C(C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1-c1ccco1)C#N
Show InChI InChI=1S/C26H18F3N3O3/c1-31-24(18-8-7-15(14-30)12-19(18)22-6-3-11-35-22)23-20(9-10-21(23)33)32(25(31)34)17-5-2-4-16(13-17)26(27,28)29/h2-8,11-13,24H,9-10H2,1H3
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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))
BDBM252380
PNG
(US9458113, 11)
Show SMILES CN1C(C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1-c1ccoc1)C#N
Show InChI InChI=1S/C26H18F3N3O3/c1-31-24(19-6-5-15(13-30)11-20(19)16-9-10-35-14-16)23-21(7-8-22(23)33)32(25(31)34)18-4-2-3-17(12-18)26(27,28)29/h2-6,9-12,14,24H,7-8H2,1H3
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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))
BDBM252269
PNG
(US9458113, 1.24)
Show SMILES COCCCN(C)C(=O)c1cc(ccc1C1N(C)C(=O)N(C2=C1C(=O)CC2)c1cccc(c1)C(F)(F)F)C#N
Show InChI InChI=1S/C28H27F3N4O4/c1-33(12-5-13-39-3)26(37)21-14-17(16-32)8-9-20(21)25-24-22(10-11-23(24)36)35(27(38)34(25)2)19-7-4-6-18(15-19)28(29,30)31/h4,6-9,14-15,25H,5,10-13H2,1-3H3
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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))
BDBM252376
PNG
(US9458113, 9.2)
Show SMILES CN1C(C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1CNC(C)(C)C)C#N
Show InChI InChI=1S/C27H27F3N4O2/c1-26(2,3)32-15-17-12-16(14-31)8-9-20(17)24-23-21(10-11-22(23)35)34(25(36)33(24)4)19-7-5-6-18(13-19)27(28,29)30/h5-9,12-13,24,32H,10-11,15H2,1-4H3
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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))
BDBM252255
PNG
(US9458113, 1.10)
Show SMILES CN1C(C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1C(=O)N1CCCC1)C#N
Show InChI InChI=1S/C27H23F3N4O3/c1-32-24(19-8-7-16(15-31)13-20(19)25(36)33-11-2-3-12-33)23-21(9-10-22(23)35)34(26(32)37)18-6-4-5-17(14-18)27(28,29)30/h4-8,13-14,24H,2-3,9-12H2,1H3
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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))
BDBM252283
PNG
(US9458113, 1.37)
Show SMILES CN1C(C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1C(=O)NCc1ccoc1)C#N
Show InChI InChI=1S/C28H21F3N4O4/c1-34-25(20-6-5-16(13-32)11-21(20)26(37)33-14-17-9-10-39-15-17)24-22(7-8-23(24)36)35(27(34)38)19-4-2-3-18(12-19)28(29,30)31/h2-6,9-12,15,25H,7-8,14H2,1H3,(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))
BDBM252290
PNG
(US9458113, 1.44)
Show SMILES CN1C(C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1C(=O)NCc1cocn1)C#N
Show InChI InChI=1S/C27H20F3N5O4/c1-34-24(19-6-5-15(11-31)9-20(19)25(37)32-12-17-13-39-14-33-17)23-21(7-8-22(23)36)35(26(34)38)18-4-2-3-16(10-18)27(28,29)30/h2-6,9-10,13-14,24H,7-8,12H2,1H3,(H,32,37)
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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))
BDBM252361
PNG
(US9458113, 5)
Show SMILES CN1C(C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1C(=O)NC(C)(C)C#N)C#N
Show InChI InChI=1S/C27H22F3N5O3/c1-26(2,14-32)33-24(37)19-11-15(13-31)7-8-18(19)23-22-20(9-10-21(22)36)35(25(38)34(23)3)17-6-4-5-16(12-17)27(28,29)30/h4-8,11-12,23H,9-10H2,1-3H3,(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))
BDBM252276
PNG
(US9458113, 1.31)
Show SMILES CN(C)[C@H]1CCC(C1)NC(=O)c1cc(ccc1C1N(C)C(=O)N(C2=C1C(=O)CC2)c1cccc(c1)C(F)(F)F)C#N
Show InChI InChI=1S/C30H30F3N5O3/c1-36(2)20-9-8-19(15-20)35-28(40)23-13-17(16-34)7-10-22(23)27-26-24(11-12-25(26)39)38(29(41)37(27)3)21-6-4-5-18(14-21)30(31,32)33/h4-7,10,13-14,19-20,27H,8-9,11-12,15H2,1-3H3,(H,35,40)/t19?,20-,27?/m0/s1
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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))
BDBM252365
PNG
(US9458113, 6.3)
Show SMILES CN1C(C2=C(CCCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1C(=O)N1CCNCC1)C#N
Show InChI InChI=1S/C28H26F3N5O3/c1-34-25(20-9-8-17(16-32)14-21(20)26(38)35-12-10-33-11-13-35)24-22(6-3-7-23(24)37)36(27(34)39)19-5-2-4-18(15-19)28(29,30)31/h2,4-5,8-9,14-15,25,33H,3,6-7,10-13H2,1H3
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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))
BDBM252249
PNG
(US9458113, 1.4)
Show SMILES CN1C(C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1C(=O)NCC#C)C#N
Show InChI InChI=1S/C26H19F3N4O3/c1-3-11-31-24(35)19-12-15(14-30)7-8-18(19)23-22-20(9-10-21(22)34)33(25(36)32(23)2)17-6-4-5-16(13-17)26(27,28)29/h1,4-8,12-13,23H,9-11H2,2H3,(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))
BDBM252287
PNG
(US9458113, 1.41)
Show SMILES CN1C(C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1C(=O)NCc1ncco1)C#N
Show InChI InChI=1S/C27H20F3N5O4/c1-34-24(18-6-5-15(13-31)11-19(18)25(37)33-14-22-32-9-10-39-22)23-20(7-8-21(23)36)35(26(34)38)17-4-2-3-16(12-17)27(28,29)30/h2-6,9-12,24H,7-8,14H2,1H3,(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))
BDBM252355
PNG
(US9458113, 4.12)
Show SMILES CN[C@H]1CCN(C1)C(=O)c1cc(ccc1C1N(C)C(=O)N(C2=C1C(=O)CC2)c1cccc(c1)C(F)(F)F)C#N
Show InChI InChI=1S/C28H26F3N5O3/c1-33-18-10-11-35(15-18)26(38)21-12-16(14-32)6-7-20(21)25-24-22(8-9-23(24)37)36(27(39)34(25)2)19-5-3-4-17(13-19)28(29,30)31/h3-7,12-13,18,25,33H,8-11,15H2,1-2H3/t18-,25?/m0/s1
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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))
BDBM252429
PNG
(US9458113, 22)
Show SMILES CN1C(C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1-c1ccncn1)C#N
Show InChI InChI=1S/C26H18F3N5O2/c1-33-24(18-6-5-15(13-30)11-19(18)20-9-10-31-14-32-20)23-21(7-8-22(23)35)34(25(33)36)17-4-2-3-16(12-17)26(27,28)29/h2-6,9-12,14,24H,7-8H2,1H3
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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))
BDBM252393
PNG
(US9458113, 11.13)
Show SMILES COc1ccc(cn1)-c1cc(ccc1C1N(C)C(=O)N(C2=C1C(=O)CC2)c1cccc(c1)C(F)(F)F)C#N
Show InChI InChI=1S/C28H21F3N4O3/c1-34-26(20-8-6-16(14-32)12-21(20)17-7-11-24(38-2)33-15-17)25-22(9-10-23(25)36)35(27(34)37)19-5-3-4-18(13-19)28(29,30)31/h3-8,11-13,15,26H,9-10H2,1-2H3
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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))
BDBM252309
PNG
(US9458113, 1.63)
Show SMILES CN1C(C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1C(=O)N1Cc2ccncc2C1)C#N
Show InChI InChI=1S/C30H22F3N5O3/c1-36-27(22-6-5-17(13-34)11-23(22)28(40)37-15-18-9-10-35-14-19(18)16-37)26-24(7-8-25(26)39)38(29(36)41)21-4-2-3-20(12-21)30(31,32)33/h2-6,9-12,14,27H,7-8,15-16H2,1H3
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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))
BDBM252292
PNG
(US9458113, 1.46)
Show SMILES CN1C(C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1C(=O)NCc1cccnc1)C#N
Show InChI InChI=1S/C29H22F3N5O3/c1-36-26(21-8-7-17(14-33)12-22(21)27(39)35-16-18-4-3-11-34-15-18)25-23(9-10-24(25)38)37(28(36)40)20-6-2-5-19(13-20)29(30,31)32/h2-8,11-13,15,26H,9-10,16H2,1H3,(H,35,39)
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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))
BDBM252294
PNG
(US9458113, 1.48)
Show SMILES CN1C(C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1C(=O)NCc1ccncc1)C#N
Show InChI InChI=1S/C29H22F3N5O3/c1-36-26(21-6-5-18(15-33)13-22(21)27(39)35-16-17-9-11-34-12-10-17)25-23(7-8-24(25)38)37(28(36)40)20-4-2-3-19(14-20)29(30,31)32/h2-6,9-14,26H,7-8,16H2,1H3,(H,35,39)
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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))
BDBM252313
PNG
(US9458113, 1.67)
Show SMILES CN1C(C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1C(=O)N1Cc2cnn(C)c2C1)C#N
Show InChI InChI=1S/C29H23F3N6O3/c1-35-26(20-7-6-16(12-33)10-21(20)27(40)37-14-17-13-34-36(2)23(17)15-37)25-22(8-9-24(25)39)38(28(35)41)19-5-3-4-18(11-19)29(30,31)32/h3-7,10-11,13,26H,8-9,14-15H2,1-2H3
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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))
BDBM252298
PNG
(US9458113, 1.52)
Show SMILES CN1C(C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1C(=O)NCc1cncn1C)C#N
Show InChI InChI=1S/C28H23F3N6O3/c1-35-15-33-13-19(35)14-34-26(39)21-10-16(12-32)6-7-20(21)25-24-22(8-9-23(24)38)37(27(40)36(25)2)18-5-3-4-17(11-18)28(29,30)31/h3-7,10-11,13,15,25H,8-9,14H2,1-2H3,(H,34,39)
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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))
BDBM252293
PNG
(US9458113, 1.47)
Show SMILES CN1C(C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1C(=O)NCc1ccccn1)C#N
Show InChI InChI=1S/C29H22F3N5O3/c1-36-26(21-9-8-17(15-33)13-22(21)27(39)35-16-19-6-2-3-12-34-19)25-23(10-11-24(25)38)37(28(36)40)20-7-4-5-18(14-20)29(30,31)32/h2-9,12-14,26H,10-11,16H2,1H3,(H,35,39)
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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))
BDBM252273
PNG
(US9458113, 1.28)
Show SMILES CN1C(C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1C(=O)NC1CCS(=O)(=O)C1)C#N
Show InChI InChI=1S/C27H23F3N4O5S/c1-33-24(19-6-5-15(13-31)11-20(19)25(36)32-17-9-10-40(38,39)14-17)23-21(7-8-22(23)35)34(26(33)37)18-4-2-3-16(12-18)27(28,29)30/h2-6,11-12,17,24H,7-10,14H2,1H3,(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))
BDBM252322
PNG
(US9458113, 1.76)
Show SMILES CN1C(C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1C(=O)NCCN1CCOCC1)C#N
Show InChI InChI=1S/C29H28F3N5O4/c1-35-26(21-6-5-18(17-33)15-22(21)27(39)34-9-10-36-11-13-41-14-12-36)25-23(7-8-24(25)38)37(28(35)40)20-4-2-3-19(16-20)29(30,31)32/h2-6,15-16,26H,7-14H2,1H3,(H,34,39)
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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))
BDBM252417
PNG
(US9458113, 17.2)
Show SMILES CN1C(C2=C(CCC2=O)N(C1=O)c1ccnc(c1)C(F)(F)F)c1ccc(cc1C1=CCN(CC1)C(=O)OC(C)(C)C)C#N
Show InChI InChI=1S/C31H30F3N5O4/c1-30(2,3)43-29(42)38-13-10-19(11-14-38)22-15-18(17-35)5-6-21(22)27-26-23(7-8-24(26)40)39(28(41)37(27)4)20-9-12-36-25(16-20)31(32,33)34/h5-6,9-10,12,15-16,27H,7-8,11,13-14H2,1-4H3
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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))
BDBM252271
PNG
(US9458113, 1.26)
Show SMILES CN1C(C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1C(=O)NCCS(C)(=O)=O)C#N
Show InChI InChI=1S/C26H23F3N4O5S/c1-32-23(18-7-6-15(14-30)12-19(18)24(35)31-10-11-39(2,37)38)22-20(8-9-21(22)34)33(25(32)36)17-5-3-4-16(13-17)26(27,28)29/h3-7,12-13,23H,8-11H2,1-2H3,(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))
BDBM252331
PNG
(US9458113, 1.85)
Show SMILES CN1C(C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1C(=O)N1CCN(CC1)C(C)=O)C#N
Show InChI InChI=1S/C29H26F3N5O4/c1-17(38)35-10-12-36(13-11-35)27(40)22-14-18(16-33)6-7-21(22)26-25-23(8-9-24(25)39)37(28(41)34(26)2)20-5-3-4-19(15-20)29(30,31)32/h3-7,14-15,26H,8-13H2,1-2H3
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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))
BDBM252347
PNG
(US9458113, 4.4)
Show SMILES CNCCNC(=O)c1cc(ccc1C1N(C)C(=O)N(C2=C1C(=O)CC2)c1cccc(c1)C(F)(F)F)C#N
Show InChI InChI=1S/C26H24F3N5O3/c1-31-10-11-32-24(36)19-12-15(14-30)6-7-18(19)23-22-20(8-9-21(22)35)34(25(37)33(23)2)17-5-3-4-16(13-17)26(27,28)29/h3-7,12-13,23,31H,8-11H2,1-2H3,(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))
BDBM252422
PNG
(US9458113, 19.2)
Show SMILES Cn1cc(cn1)-c1cc(ccc1C1NC(=O)N(C2=C1C(=O)CC2)c1cccc(c1)C(F)(F)F)C#N
Show InChI InChI=1S/C25H18F3N5O2/c1-32-13-15(12-30-32)19-9-14(11-29)5-6-18(19)23-22-20(7-8-21(22)34)33(24(35)31-23)17-4-2-3-16(10-17)25(26,27)28/h2-6,9-10,12-13,23H,7-8H2,1H3,(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))
BDBM252301
PNG
(US9458113, 1.55)
Show SMILES CN1C(C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1C(=O)NCc1cnn(C)c1)C#N
Show InChI InChI=1S/C28H23F3N6O3/c1-35-15-17(14-34-35)13-33-26(39)21-10-16(12-32)6-7-20(21)25-24-22(8-9-23(24)38)37(27(40)36(25)2)19-5-3-4-18(11-19)28(29,30)31/h3-7,10-11,14-15,25H,8-9,13H2,1-2H3,(H,33,39)
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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))
BDBM252274
PNG
(US9458113, 1.29)
Show SMILES CN(C)CCNC(=O)c1cc(ccc1C1N(C)C(=O)N(C2=C1C(=O)CC2)c1cccc(c1)C(F)(F)F)C#N
Show InChI InChI=1S/C27H26F3N5O3/c1-33(2)12-11-32-25(37)20-13-16(15-31)7-8-19(20)24-23-21(9-10-22(23)36)35(26(38)34(24)3)18-6-4-5-17(14-18)27(28,29)30/h4-8,13-14,24H,9-12H2,1-3H3,(H,32,37)
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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))
BDBM252357
PNG
(US9458113, 4.14)
Show SMILES CN1C(C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1C(=O)N[C@H]1C[C@H]1N)C#N
Show InChI InChI=1S/C26H22F3N5O3/c1-33-23(16-6-5-13(12-30)9-17(16)24(36)32-19-11-18(19)31)22-20(7-8-21(22)35)34(25(33)37)15-4-2-3-14(10-15)26(27,28)29/h2-6,9-10,18-19,23H,7-8,11,31H2,1H3,(H,32,36)/t18-,19+,23?/m1/s1
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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))
BDBM252295
PNG
(US9458113, 1.49)
Show SMILES CN1C(C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1C(=O)NCc1ccnnc1)C#N
Show InChI InChI=1S/C28H21F3N6O3/c1-36-25(20-6-5-16(13-32)11-21(20)26(39)33-14-17-9-10-34-35-15-17)24-22(7-8-23(24)38)37(27(36)40)19-4-2-3-18(12-19)28(29,30)31/h2-6,9-12,15,25H,7-8,14H2,1H3,(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...


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More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM252284
PNG
(US9458113, 1.38)
Show SMILES CN1C(C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1C(=O)NCc1cn[nH]c1)C#N
Show InChI InChI=1S/C27H21F3N6O3/c1-35-24(19-6-5-15(11-31)9-20(19)25(38)32-12-16-13-33-34-14-16)23-21(7-8-22(23)37)36(26(35)39)18-4-2-3-17(10-18)27(28,29)30/h2-6,9-10,13-14,24H,7-8,12H2,1H3,(H,32,38)(H,33,34)
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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))
BDBM252260
PNG
(US9458113, 1.15)
Show SMILES CN1C(C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1C(=O)NCCCO)C#N
Show InChI InChI=1S/C26H23F3N4O4/c1-32-23(18-7-6-15(14-30)12-19(18)24(36)31-10-3-11-34)22-20(8-9-21(22)35)33(25(32)37)17-5-2-4-16(13-17)26(27,28)29/h2,4-7,12-13,23,34H,3,8-11H2,1H3,(H,31,36)
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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))
BDBM252364
PNG
(US9458113, 6.2)
Show SMILES CN1CCN(CC1)C(=O)c1cc(ccc1C1N(C)C(=O)N(C2=C1C(=O)CCC2)c1cccc(c1)C(F)(F)F)C#N
Show InChI InChI=1S/C29H28F3N5O3/c1-34-11-13-36(14-12-34)27(39)22-15-18(17-33)9-10-21(22)26-25-23(7-4-8-24(25)38)37(28(40)35(26)2)20-6-3-5-19(16-20)29(30,31)32/h3,5-6,9-10,15-16,26H,4,7-8,11-14H2,1-2H3
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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))
BDBM252246
PNG
(US9458113, 1 | US9458113, 1.1)
Show SMILES CN1C(C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1C(N)=O)C#N
Show InChI InChI=1S/C23H17F3N4O3/c1-29-20(15-6-5-12(11-27)9-16(15)21(28)32)19-17(7-8-18(19)31)30(22(29)33)14-4-2-3-13(10-14)23(24,25)26/h2-6,9-10,20H,7-8H2,1H3,(H2,28,32)
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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))
BDBM252291
PNG
(US9458113, 1.45)
Show SMILES CN1C(C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1C(=O)NCc1ccccc1)C#N
Show InChI InChI=1S/C30H23F3N4O3/c1-36-27(22-11-10-19(16-34)14-23(22)28(39)35-17-18-6-3-2-4-7-18)26-24(12-13-25(26)38)37(29(36)40)21-9-5-8-20(15-21)30(31,32)33/h2-11,14-15,27H,12-13,17H2,1H3,(H,35,39)
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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))
BDBM252257
PNG
(US9458113, 1.12)
Show SMILES CN1C(C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1C(=O)NC1COC1)C#N
Show InChI InChI=1S/C26H21F3N4O4/c1-32-23(18-6-5-14(11-30)9-19(18)24(35)31-16-12-37-13-16)22-20(7-8-21(22)34)33(25(32)36)17-4-2-3-15(10-17)26(27,28)29/h2-6,9-10,16,23H,7-8,12-13H2,1H3,(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))
BDBM252302
PNG
(US9458113, 1.56)
Show SMILES CN1C(C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1C(=O)NCc1ccnn1C)C#N
Show InChI InChI=1S/C28H23F3N6O3/c1-35-25(20-7-6-16(14-32)12-21(20)26(39)33-15-19-10-11-34-36(19)2)24-22(8-9-23(24)38)37(27(35)40)18-5-3-4-17(13-18)28(29,30)31/h3-7,10-13,25H,8-9,15H2,1-2H3,(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))
BDBM252248
PNG
(US9458113, 1.3)
Show SMILES CN(C)C(=O)c1cc(ccc1C1N(C)C(=O)N(C2=C1C(=O)CC2)c1cccc(c1)C(F)(F)F)C#N
Show InChI InChI=1S/C25H21F3N4O3/c1-30(2)23(34)18-11-14(13-29)7-8-17(18)22-21-19(9-10-20(21)33)32(24(35)31(22)3)16-6-4-5-15(12-16)25(26,27)28/h4-8,11-12,22H,9-10H2,1-3H3
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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))
BDBM252254
PNG
(US9458113, 1.9)
Show SMILES CN1C(C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1C(=O)NCCF)C#N
Show InChI InChI=1S/C25H20F4N4O3/c1-32-22(17-6-5-14(13-30)11-18(17)23(35)31-10-9-26)21-19(7-8-20(21)34)33(24(32)36)16-4-2-3-15(12-16)25(27,28)29/h2-6,11-12,22H,7-10H2,1H3,(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))
BDBM252247
PNG
(US9458113, 1.2)
Show SMILES CCNC(=O)c1cc(ccc1C1N(C)C(=O)N(C2=C1C(=O)CC2)c1cccc(c1)C(F)(F)F)C#N
Show InChI InChI=1S/C25H21F3N4O3/c1-3-30-23(34)18-11-14(13-29)7-8-17(18)22-21-19(9-10-20(21)33)32(24(35)31(22)2)16-6-4-5-15(12-16)25(26,27)28/h4-8,11-12,22H,3,9-10H2,1-2H3,(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))
BDBM252356
PNG
(US9458113, 4.13)
Show SMILES CN1C(C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1C(=O)N[C@H]1C[C@@H]1N)C#N
Show InChI InChI=1S/C26H22F3N5O3/c1-33-23(16-6-5-13(12-30)9-17(16)24(36)32-19-11-18(19)31)22-20(7-8-21(22)35)34(25(33)37)15-4-2-3-14(10-15)26(27,28)29/h2-6,9-10,18-19,23H,7-8,11,31H2,1H3,(H,32,36)/t18-,19-,23?/m0/s1
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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))
BDBM252277
PNG
(US9458113, 1.32)
Show SMILES CN(C)[C@@H]1CCC(C1)NC(=O)c1cc(ccc1C1N(C)C(=O)N(C2=C1C(=O)CC2)c1cccc(c1)C(F)(F)F)C#N
Show InChI InChI=1S/C30H30F3N5O3/c1-36(2)20-9-8-19(15-20)35-28(40)23-13-17(16-34)7-10-22(23)27-26-24(11-12-25(26)39)38(29(41)37(27)3)21-6-4-5-18(14-21)30(31,32)33/h4-7,10,13-14,19-20,27H,8-9,11-12,15H2,1-3H3,(H,35,40)/t19?,20-,27?/m1/s1
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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))
BDBM252408
PNG
(US9458113, 15.5)
Show SMILES CN1C(C2=C(CCCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1-c1ccco1)C#N
Show InChI InChI=1S/C27H20F3N3O3/c1-32-25(19-11-10-16(15-31)13-20(19)23-9-4-12-36-23)24-21(7-3-8-22(24)34)33(26(32)35)18-6-2-5-17(14-18)27(28,29)30/h2,4-6,9-14,25H,3,7-8H2,1H3
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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))
BDBM252253
PNG
(US9458113, 1.8)
Show SMILES CN1C(C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1C(=O)NCCO)C#N
Show InChI InChI=1S/C25H21F3N4O4/c1-31-22(17-6-5-14(13-29)11-18(17)23(35)30-9-10-33)21-19(7-8-20(21)34)32(24(31)36)16-4-2-3-15(12-16)25(26,27)28/h2-6,11-12,22,33H,7-10H2,1H3,(H,30,35)
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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))
BDBM252265
PNG
(US9458113, 1.20)
Show SMILES COCCCNC(=O)c1cc(ccc1C1N(C)C(=O)N(C2=C1C(=O)CC2)c1cccc(c1)C(F)(F)F)C#N
Show InChI InChI=1S/C27H25F3N4O4/c1-33-24(19-8-7-16(15-31)13-20(19)25(36)32-11-4-12-38-2)23-21(9-10-22(23)35)34(26(33)37)18-6-3-5-17(14-18)27(28,29)30/h3,5-8,13-14,24H,4,9-12H2,1-2H3,(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))
BDBM252421
PNG
(US9458113, 19.1)
Show SMILES FC(F)(F)c1cccc(c1)N1C2=C(C(NC1=O)c1ccc(cc1-c1cn[nH]c1)C#N)C(=O)CC2
Show InChI InChI=1S/C24H16F3N5O2/c25-24(26,27)15-2-1-3-16(9-15)32-19-6-7-20(33)21(19)22(31-23(32)34)17-5-4-13(10-28)8-18(17)14-11-29-30-12-14/h1-5,8-9,11-12,22H,6-7H2,(H,29,30)(H,31,34)
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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))
BDBM252425
PNG
(US9458113, 19.5)
Show SMILES Cn1ccc(cc1=O)-c1cc(ccc1C1NC(=O)N(C2=C1C(=O)CC2)c1cccc(c1)C(F)(F)F)C#N
Show InChI InChI=1S/C27H19F3N4O3/c1-33-10-9-16(12-23(33)36)20-11-15(14-31)5-6-19(20)25-24-21(7-8-22(24)35)34(26(37)32-25)18-4-2-3-17(13-18)27(28,29)30/h2-6,9-13,25H,7-8H2,1H3,(H,32,37)
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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))
BDBM252351
PNG
(US9458113, 4.8)
Show SMILES CN1C(C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1C(=O)N1CC[C@@H](N)C1)C#N
Show InChI InChI=1S/C27H24F3N5O3/c1-33-24(19-6-5-15(13-31)11-20(19)25(37)34-10-9-17(32)14-34)23-21(7-8-22(23)36)35(26(33)38)18-4-2-3-16(12-18)27(28,29)30/h2-6,11-12,17,24H,7-10,14,32H2,1H3/t17-,24?/m1/s1
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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))
BDBM252261
PNG
(US9458113, 1.16)
Show SMILES CN1C(C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1C(=O)NCC(F)F)C#N
Show InChI InChI=1S/C25H19F5N4O3/c1-33-22(16-6-5-13(11-31)9-17(16)23(36)32-12-20(26)27)21-18(7-8-19(21)35)34(24(33)37)15-4-2-3-14(10-15)25(28,29)30/h2-6,9-10,20,22H,7-8,12H2,1H3,(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))
BDBM252394
PNG
(US9458113, 11.14)
Show SMILES CN1C(C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1-c1ccc2n(C)ccc2c1)C#N
Show InChI InChI=1S/C31H23F3N4O2/c1-36-13-12-20-15-19(7-9-25(20)36)24-14-18(17-35)6-8-23(24)29-28-26(10-11-27(28)39)38(30(40)37(29)2)22-5-3-4-21(16-22)31(32,33)34/h3-9,12-16,29H,10-11H2,1-2H3
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n/an/a 6n/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))
BDBM252326
PNG
(US9458113, 1.80)
Show SMILES CN1C(C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1C(=O)NCC(=O)N1CCOCC1)C#N
Show InChI InChI=1S/C29H26F3N5O5/c1-35-26(20-6-5-17(15-33)13-21(20)27(40)34-16-24(39)36-9-11-42-12-10-36)25-22(7-8-23(25)38)37(28(35)41)19-4-2-3-18(14-19)29(30,31)32/h2-6,13-14,26H,7-12,16H2,1H3,(H,34,40)
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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))
BDBM252307
PNG
(US9458113, 1.61)
Show SMILES CN1C(C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1C(=O)NCc1nncn1C)C#N
Show InChI InChI=1S/C27H22F3N7O3/c1-35-14-33-34-22(35)13-32-25(39)19-10-15(12-31)6-7-18(19)24-23-20(8-9-21(23)38)37(26(40)36(24)2)17-5-3-4-16(11-17)27(28,29)30/h3-7,10-11,14,24H,8-9,13H2,1-2H3,(H,32,39)
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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))
BDBM252354
PNG
(US9458113, 4.11)
Show SMILES CN1C(C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1C(=O)NCC(C)(C)N)C#N
Show InChI InChI=1S/C27H26F3N5O3/c1-26(2,32)14-33-24(37)19-11-15(13-31)7-8-18(19)23-22-20(9-10-21(22)36)35(25(38)34(23)3)17-6-4-5-16(12-17)27(28,29)30/h4-8,11-12,23H,9-10,14,32H2,1-3H3,(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))
BDBM252251
PNG
(US9458113, 1.6)
Show SMILES CN1C(C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1C(=O)NC1CC1)C#N
Show InChI InChI=1S/C26H21F3N4O3/c1-32-23(18-8-5-14(13-30)11-19(18)24(35)31-16-6-7-16)22-20(9-10-21(22)34)33(25(32)36)17-4-2-3-15(12-17)26(27,28)29/h2-5,8,11-12,16,23H,6-7,9-10H2,1H3,(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))
BDBM252352
PNG
(US9458113, 4.9)
Show SMILES CN1C(C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1C(=O)N[C@@H]1CCNC1)C#N
Show InChI InChI=1S/C27H24F3N5O3/c1-34-24(19-6-5-15(13-31)11-20(19)25(37)33-17-9-10-32-14-17)23-21(7-8-22(23)36)35(26(34)38)18-4-2-3-16(12-18)27(28,29)30/h2-6,11-12,17,24,32H,7-10,14H2,1H3,(H,33,37)/t17-,24?/m1/s1
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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))
BDBM252259
PNG
(US9458113, 1.14)
Show SMILES COCCNC(=O)c1cc(ccc1C1N(C)C(=O)N(C2=C1C(=O)CC2)c1cccc(c1)C(F)(F)F)C#N
Show InChI InChI=1S/C26H23F3N4O4/c1-32-23(18-7-6-15(14-30)12-19(18)24(35)31-10-11-37-2)22-20(8-9-21(22)34)33(25(32)36)17-5-3-4-16(13-17)26(27,28)29/h3-7,12-13,23H,8-11H2,1-2H3,(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))
BDBM252262
PNG
(US9458113, 1.17)
Show SMILES CN(C1C2CC1C2)C(=O)c1cc(ccc1C1N(C)C(=O)N(C2=C1C(=O)CC2)c1cccc(c1)C(F)(F)F)C#N
Show InChI InChI=1S/C29H25F3N4O3/c1-34(25-16-11-17(25)12-16)27(38)21-10-15(14-33)6-7-20(21)26-24-22(8-9-23(24)37)36(28(39)35(26)2)19-5-3-4-18(13-19)29(30,31)32/h3-7,10,13,16-17,25-26H,8-9,11-12H2,1-2H3
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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))
BDBM252297
PNG
(US9458113, 1.51)
Show SMILES CC(NC(=O)c1cc(ccc1C1N(C)C(=O)N(C2=C1C(=O)CC2)c1cccc(c1)C(F)(F)F)C#N)c1ccco1
Show InChI InChI=1S/C29H23F3N4O4/c1-16(24-7-4-12-40-24)34-27(38)21-13-17(15-33)8-9-20(21)26-25-22(10-11-23(25)37)36(28(39)35(26)2)19-6-3-5-18(14-19)29(30,31)32/h3-9,12-14,16,26H,10-11H2,1-2H3,(H,34,38)
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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))
BDBM252310
PNG
(US9458113, 1.64)
Show SMILES CN1C(C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1C(=O)NCc1ccc(o1)C#N)C#N
Show InChI InChI=1S/C29H20F3N5O4/c1-36-26(21-8-5-16(13-33)11-22(21)27(39)35-15-20-7-6-19(14-34)41-20)25-23(9-10-24(25)38)37(28(36)40)18-4-2-3-17(12-18)29(30,31)32/h2-8,11-12,26H,9-10,15H2,1H3,(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))
BDBM252349
PNG
(US9458113, 4.6)
Show SMILES CN1C(C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1C(=O)N[C@H]1CCNC1)C#N
Show InChI InChI=1S/C27H24F3N5O3/c1-34-24(19-6-5-15(13-31)11-20(19)25(37)33-17-9-10-32-14-17)23-21(7-8-22(23)36)35(26(34)38)18-4-2-3-16(12-18)27(28,29)30/h2-6,11-12,17,24,32H,7-10,14H2,1H3,(H,33,37)/t17-,24?/m0/s1
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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))
BDBM252246
PNG
(US9458113, 1 | US9458113, 1.1)
Show SMILES CN1C(C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1C(N)=O)C#N
Show InChI InChI=1S/C23H17F3N4O3/c1-29-20(15-6-5-12(11-27)9-16(15)21(28)32)19-17(7-8-18(19)31)30(22(29)33)14-4-2-3-13(10-14)23(24,25)26/h2-6,9-10,20H,7-8H2,1H3,(H2,28,32)
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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))
BDBM252263
PNG
(US9458113, 1.18)
Show SMILES CN1C(C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1C(=O)NC1CCOC1)C#N
Show InChI InChI=1S/C27H23F3N4O4/c1-33-24(19-6-5-15(13-31)11-20(19)25(36)32-17-9-10-38-14-17)23-21(7-8-22(23)35)34(26(33)37)18-4-2-3-16(12-18)27(28,29)30/h2-6,11-12,17,24H,7-10,14H2,1H3,(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))
BDBM252300
PNG
(US9458113, 1.54)
Show SMILES CN1C(C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1C(=O)NCc1cn(C)cn1)C#N
Show InChI InChI=1S/C28H23F3N6O3/c1-35-14-18(34-15-35)13-33-26(39)21-10-16(12-32)6-7-20(21)25-24-22(8-9-23(24)38)37(27(40)36(25)2)19-5-3-4-17(11-19)28(29,30)31/h3-7,10-11,14-15,25H,8-9,13H2,1-2H3,(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))
BDBM252342
PNG
(US9458113, 3.5)
Show SMILES CN1C(C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1C(=O)N1C[C@H]2C[C@@H]1C[N+]2(C)C)C#N
Show InChI InChI=1S/C30H29F3N5O3/c1-35-27(22-8-7-17(14-34)11-23(22)28(40)36-15-21-13-20(36)16-38(21,2)3)26-24(9-10-25(26)39)37(29(35)41)19-6-4-5-18(12-19)30(31,32)33/h4-8,11-12,20-21,27H,9-10,13,15-16H2,1-3H3/q+1/t20-,21-,27?/m1/s1
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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))
BDBM252345
PNG
(US9458113, 4.2)
Show SMILES CN1C(C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1C(=O)NC1CCNCC1)C#N
Show InChI InChI=1S/C28H26F3N5O3/c1-35-25(20-6-5-16(15-32)13-21(20)26(38)34-18-9-11-33-12-10-18)24-22(7-8-23(24)37)36(27(35)39)19-4-2-3-17(14-19)28(29,30)31/h2-6,13-14,18,25,33H,7-12H2,1H3,(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))
BDBM252266
PNG
(US9458113, 1.21)
Show SMILES CN1C(C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1C(=O)NCC(F)(F)F)C#N
Show InChI InChI=1S/C25H18F6N4O3/c1-34-21(16-6-5-13(11-32)9-17(16)22(37)33-12-24(26,27)28)20-18(7-8-19(20)36)35(23(34)38)15-4-2-3-14(10-15)25(29,30)31/h2-6,9-10,21H,7-8,12H2,1H3,(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))
BDBM252312
PNG
(US9458113, 1.66)
Show SMILES CN1C(C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1C(=O)N1CCn2cncc2C1)C#N
Show InChI InChI=1S/C29H23F3N6O3/c1-35-26(21-6-5-17(13-33)11-22(21)27(40)36-9-10-37-16-34-14-20(37)15-36)25-23(7-8-24(25)39)38(28(35)41)19-4-2-3-18(12-19)29(30,31)32/h2-6,11-12,14,16,26H,7-10,15H2,1H3
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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))
BDBM252358
PNG
(US9458113, 4.15)
Show SMILES CN1C(C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1C(=O)N1C[C@H]2C[C@@H]1CN2)C#N
Show InChI InChI=1S/C28H24F3N5O3/c1-34-25(20-6-5-15(12-32)9-21(20)26(38)35-14-17-11-19(35)13-33-17)24-22(7-8-23(24)37)36(27(34)39)18-4-2-3-16(10-18)28(29,30)31/h2-6,9-10,17,19,25,33H,7-8,11,13-14H2,1H3/t17-,19-,25?/m1/s1
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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))
BDBM252341
PNG
(US9458113, 3.4)
Show SMILES CC(C)N1CCN(CC1)C(=O)c1cc(ccc1C1N(C)C(=O)N(C2=C1C(=O)CC2)c1cccc(c1)C(F)(F)F)C#N
Show InChI InChI=1S/C30H30F3N5O3/c1-18(2)36-11-13-37(14-12-36)28(40)23-15-19(17-34)7-8-22(23)27-26-24(9-10-25(26)39)38(29(41)35(27)3)21-6-4-5-20(16-21)30(31,32)33/h4-8,15-16,18,27H,9-14H2,1-3H3
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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))
BDBM252397
PNG
(US9458113, 12)
Show SMILES CN1C(C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1-c1ccnn1C)C#N
Show InChI InChI=1S/C26H20F3N5O2/c1-32-24(18-7-6-15(14-30)12-19(18)20-10-11-31-33(20)2)23-21(8-9-22(23)35)34(25(32)36)17-5-3-4-16(13-17)26(27,28)29/h3-7,10-13,24H,8-9H2,1-2H3
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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))
BDBM252275
PNG
(US9458113, 1.30)
Show SMILES CN1CCC(C1)NC(=O)c1cc(ccc1C1N(C)C(=O)N(C2=C1C(=O)CC2)c1cccc(c1)C(F)(F)F)C#N
Show InChI InChI=1S/C28H26F3N5O3/c1-34-11-10-18(15-34)33-26(38)21-12-16(14-32)6-7-20(21)25-24-22(8-9-23(24)37)36(27(39)35(25)2)19-5-3-4-17(13-19)28(29,30)31/h3-7,12-13,18,25H,8-11,15H2,1-2H3,(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))
BDBM252340
PNG
(US9458113, 3.3)
Show SMILES CN1C(C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1C(=O)N1CCN2CCCC2C1)C#N
Show InChI InChI=1S/C30H28F3N5O3/c1-35-27(22-8-7-18(16-34)14-23(22)28(40)37-13-12-36-11-3-6-21(36)17-37)26-24(9-10-25(26)39)38(29(35)41)20-5-2-4-19(15-20)30(31,32)33/h2,4-5,7-8,14-15,21,27H,3,6,9-13,17H2,1H3
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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))
BDBM252343
PNG
(US9458113, 4)
Show SMILES CN1C(C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1C(=O)N1CCNCC1)C#N
Show InChI InChI=1S/C27H24F3N5O3/c1-33-24(19-6-5-16(15-31)13-20(19)25(37)34-11-9-32-10-12-34)23-21(7-8-22(23)36)35(26(33)38)18-4-2-3-17(14-18)27(28,29)30/h2-6,13-14,24,32H,7-12H2,1H3
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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))
BDBM252337
PNG
(US9458113, 3)
Show SMILES CN1C(C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1C(=O)NC1CCC(O)C1)C#N
Show InChI InChI=1S/C28H25F3N4O4/c1-34-25(20-8-5-15(14-32)11-21(20)26(38)33-17-6-7-19(36)13-17)24-22(9-10-23(24)37)35(27(34)39)18-4-2-3-16(12-18)28(29,30)31/h2-5,8,11-12,17,19,25,36H,6-7,9-10,13H2,1H3,(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))
BDBM252392
PNG
(US9458113, 11.12)
Show SMILES CN1C(C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1-c1ccc2n(C)ncc2c1)C#N
Show InChI InChI=1S/C30H22F3N5O2/c1-36-28(22-8-6-17(15-34)12-23(22)18-7-9-24-19(13-18)16-35-37(24)2)27-25(10-11-26(27)39)38(29(36)40)21-5-3-4-20(14-21)30(31,32)33/h3-9,12-14,16,28H,10-11H2,1-2H3
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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))
BDBM252270
PNG
(US9458113, 1.25)
Show SMILES CN1CCC(CC1)NC(=O)c1cc(ccc1C1N(C)C(=O)N(C2=C1C(=O)CC2)c1cccc(c1)C(F)(F)F)C#N
Show InChI InChI=1S/C29H28F3N5O3/c1-35-12-10-19(11-13-35)34-27(39)22-14-17(16-33)6-7-21(22)26-25-23(8-9-24(25)38)37(28(40)36(26)2)20-5-3-4-18(15-20)29(30,31)32/h3-7,14-15,19,26H,8-13H2,1-2H3,(H,34,39)
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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))
BDBM252339
PNG
(US9458113, 3.2)
Show SMILES CCN1CCN(CC1)C(=O)c1cc(ccc1C1N(C)C(=O)N(C2=C1C(=O)CC2)c1cccc(c1)C(F)(F)F)C#N
Show InChI InChI=1S/C29H28F3N5O3/c1-3-35-11-13-36(14-12-35)27(39)22-15-18(17-33)7-8-21(22)26-25-23(9-10-24(25)38)37(28(40)34(26)2)20-6-4-5-19(16-20)29(30,31)32/h4-8,15-16,26H,3,9-14H2,1-2H3
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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))
BDBM252268
PNG
(US9458113, 1.23)
Show SMILES CN1C(C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1C(=O)NC1CCOCC1)C#N
Show InChI InChI=1S/C28H25F3N4O4/c1-34-25(20-6-5-16(15-32)13-21(20)26(37)33-18-9-11-39-12-10-18)24-22(7-8-23(24)36)35(27(34)38)19-4-2-3-17(14-19)28(29,30)31/h2-6,13-14,18,25H,7-12H2,1H3,(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))
BDBM252381
PNG
(US9458113, 11.1)
Show SMILES CN1C(C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1-c1ccn(C)n1)C#N
Show InChI InChI=1S/C26H20F3N5O2/c1-32-11-10-20(31-32)19-12-15(14-30)6-7-18(19)24-23-21(8-9-22(23)35)34(25(36)33(24)2)17-5-3-4-16(13-17)26(27,28)29/h3-7,10-13,24H,8-9H2,1-2H3
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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))
BDBM252264
PNG
(US9458113, 1.19)
Show SMILES CN1C(C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1C(=O)NCC(C)(C)O)C#N
Show InChI InChI=1S/C27H25F3N4O4/c1-26(2,38)14-32-24(36)19-11-15(13-31)7-8-18(19)23-22-20(9-10-21(22)35)34(25(37)33(23)3)17-6-4-5-16(12-17)27(28,29)30/h4-8,11-12,23,38H,9-10,14H2,1-3H3,(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))
BDBM252315
PNG
(US9458113, 1.69)
Show SMILES CN1C(C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1C(=O)N1CCc2nocc2C1)C#N
Show InChI InChI=1S/C29H22F3N5O4/c1-35-26(20-6-5-16(13-33)11-21(20)27(39)36-10-9-22-17(14-36)15-41-34-22)25-23(7-8-24(25)38)37(28(35)40)19-4-2-3-18(12-19)29(30,31)32/h2-6,11-12,15,26H,7-10,14H2,1H3
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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))
BDBM252420
PNG
(US9458113, 19)
Show SMILES FC(F)(F)c1cccc(c1)N1C2=C(C(NC1=O)c1ccc(cc1-c1ccoc1)C#N)C(=O)CC2
Show InChI InChI=1S/C25H16F3N3O3/c26-25(27,28)16-2-1-3-17(11-16)31-20-6-7-21(32)22(20)23(30-24(31)33)18-5-4-14(12-29)10-19(18)15-8-9-34-13-15/h1-5,8-11,13,23H,6-7H2,(H,30,33)
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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))
BDBM252267
PNG
(US9458113, 1.22)
Show SMILES CN1C(C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1C(=O)N1CCC(O)CC1)C#N
Show InChI InChI=1S/C28H25F3N4O4/c1-33-25(20-6-5-16(15-32)13-21(20)26(38)34-11-9-19(36)10-12-34)24-22(7-8-23(24)37)35(27(33)39)18-4-2-3-17(14-18)28(29,30)31/h2-6,13-14,19,25,36H,7-12H2,1H3
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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))
BDBM252278
PNG
(US9458113, 1.33 | US9458113, 1.82)
Show SMILES CN1C(C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1C(=O)N1CCN(CC1)C1CC1)C#N
Show InChI InChI=1S/C30H28F3N5O3/c1-35-27(22-8-5-18(17-34)15-23(22)28(40)37-13-11-36(12-14-37)20-6-7-20)26-24(9-10-25(26)39)38(29(35)41)21-4-2-3-19(16-21)30(31,32)33/h2-5,8,15-16,20,27H,6-7,9-14H2,1H3
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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))
BDBM252418
PNG
(US9458113, 17.3)
Show SMILES CN1C(C2=C(CCC2=O)N(C1=O)c1ccnc(c1)C(F)(F)F)c1ccc(cc1-c1ccn(C)c(=O)c1)C#N
Show InChI InChI=1S/C27H20F3N5O3/c1-33-10-8-16(12-23(33)37)19-11-15(14-31)3-4-18(19)25-24-20(5-6-21(24)36)35(26(38)34(25)2)17-7-9-32-22(13-17)27(28,29)30/h3-4,7-13,25H,5-6H2,1-2H3
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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))
BDBM252409
PNG
(US9458113, 15.6)
Show SMILES CN1C(C2=C(CCCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1C1=CCN(C1)C(=O)OC(C)(C)C)C#N
Show InChI InChI=1S/C32H31F3N4O4/c1-31(2,3)43-30(42)38-14-13-20(18-38)24-15-19(17-36)11-12-23(24)28-27-25(9-6-10-26(27)40)39(29(41)37(28)4)22-8-5-7-21(16-22)32(33,34)35/h5,7-8,11-13,15-16,28H,6,9-10,14,18H2,1-4H3
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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))
BDBM252359
PNG
(US9458113, 4.16)
Show SMILES CC1CN(CCN1)C(=O)c1cc(ccc1C1N(C)C(=O)N(C2=C1C(=O)CC2)c1cccc(c1)C(F)(F)F)C#N
Show InChI InChI=1S/C28H26F3N5O3/c1-16-15-35(11-10-33-16)26(38)21-12-17(14-32)6-7-20(21)25-24-22(8-9-23(24)37)36(27(39)34(25)2)19-5-3-4-18(13-19)28(29,30)31/h3-7,12-13,16,25,33H,8-11,15H2,1-2H3
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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))
BDBM252279
PNG
(US9458113, 1.34)
Show SMILES CC(C)N1CCC(C1)NC(=O)c1cc(ccc1C1N(C)C(=O)N(C2=C1C(=O)CC2)c1cccc(c1)C(F)(F)F)C#N
Show InChI InChI=1S/C30H30F3N5O3/c1-17(2)37-12-11-20(16-37)35-28(40)23-13-18(15-34)7-8-22(23)27-26-24(9-10-25(26)39)38(29(41)36(27)3)21-6-4-5-19(14-21)30(31,32)33/h4-8,13-14,17,20,27H,9-12,16H2,1-3H3,(H,35,40)
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n/an/a 10.9n/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))
BDBM252415
PNG
(US9458113, 17)
Show SMILES CN1C(C2=C(CCC2=O)N(C1=O)c1ccnc(c1)C(F)(F)F)c1ccc(cc1-c1ccoc1)C#N
Show InChI InChI=1S/C25H17F3N4O3/c1-31-23(17-3-2-14(12-29)10-18(17)15-7-9-35-13-15)22-19(4-5-20(22)33)32(24(31)34)16-6-8-30-21(11-16)25(26,27)28/h2-3,6-11,13,23H,4-5H2,1H3
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n/an/a 11.2n/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))
BDBM252278
PNG
(US9458113, 1.33 | US9458113, 1.82)
Show SMILES CN1C(C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1C(=O)N1CCN(CC1)C1CC1)C#N
Show InChI InChI=1S/C30H28F3N5O3/c1-35-27(22-8-5-18(17-34)15-23(22)28(40)37-13-11-36(12-14-37)20-6-7-20)26-24(9-10-25(26)39)38(29(35)41)21-4-2-3-19(16-21)30(31,32)33/h2-5,8,15-16,20,27H,6-7,9-14H2,1H3
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n/an/a 15n/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))
BDBM252344
PNG
(US9458113, 4.1)
Show SMILES CN1C(C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1C(=O)N1CCC(N)CC1)C#N
Show InChI InChI=1S/C28H26F3N5O3/c1-34-25(20-6-5-16(15-32)13-21(20)26(38)35-11-9-18(33)10-12-35)24-22(7-8-23(24)37)36(27(34)39)19-4-2-3-17(14-19)28(29,30)31/h2-6,13-14,18,25H,7-12,33H2,1H3
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n/an/a 15.1n/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))
BDBM252395
PNG
(US9458113, 11.15)
Show SMILES CN1C(C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1-c1ccc2occc2c1)C#N
Show InChI InChI=1S/C30H20F3N3O3/c1-35-28(22-7-5-17(16-34)13-23(22)18-6-10-26-19(14-18)11-12-39-26)27-24(8-9-25(27)37)36(29(35)38)21-4-2-3-20(15-21)30(31,32)33/h2-7,10-15,28H,8-9H2,1H3
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n/an/a 16n/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))
BDBM252281
PNG
(US9458113, 1.35)
Show SMILES CN1C(C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1C(=O)N1CCN2CCOCC2C1)C#N
Show InChI InChI=1S/C30H28F3N5O4/c1-35-27(26-24(7-8-25(26)39)38(29(35)41)20-4-2-3-19(14-20)30(31,32)33)22-6-5-18(15-34)13-23(22)28(40)37-10-9-36-11-12-42-17-21(36)16-37/h2-6,13-14,21,27H,7-12,16-17H2,1H3
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n/an/a 16.2n/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))
BDBM252370
PNG
(US9458113, 8.2)
Show SMILES CN(C)C(=O)c1cc(ccc1C1N(C)C(=O)N(C2=C1C(=O)CC2)c1ccnc(c1)C(F)(F)F)C#N
Show InChI InChI=1S/C24H20F3N5O3/c1-30(2)22(34)16-10-13(12-28)4-5-15(16)21-20-17(6-7-18(20)33)32(23(35)31(21)3)14-8-9-29-19(11-14)24(25,26)27/h4-5,8-11,21H,6-7H2,1-3H3
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n/an/a 16.8n/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))
BDBM252423
PNG
(US9458113, 19.3)
Show SMILES COc1ccc(cn1)-c1cc(ccc1C1NC(=O)N(C2=C1C(=O)CC2)c1cccc(c1)C(F)(F)F)C#N
Show InChI InChI=1S/C27H19F3N4O3/c1-37-23-10-6-16(14-32-23)20-11-15(13-31)5-7-19(20)25-24-21(8-9-22(24)35)34(26(36)33-25)18-4-2-3-17(12-18)27(28,29)30/h2-7,10-12,14,25H,8-9H2,1H3,(H,33,36)
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n/an/a 21.8n/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))
BDBM252369
PNG
(US9458113, 8.1)
Show SMILES CNC(=O)c1cc(ccc1C1N(C)C(=O)N(C2=C1C(=O)CC2)c1ccnc(c1)C(F)(F)F)C#N
Show InChI InChI=1S/C23H18F3N5O3/c1-28-21(33)15-9-12(11-27)3-4-14(15)20-19-16(5-6-17(19)32)31(22(34)30(20)2)13-7-8-29-18(10-13)23(24,25)26/h3-4,7-10,20H,5-6H2,1-2H3,(H,28,33)
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n/an/a 25n/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))
BDBM252371
PNG
(US9458113, 8.3)
Show SMILES CN1C(C2=C(CCC2=O)N(C1=O)c1ccnc(c1)C(F)(F)F)c1ccc(cc1C(=O)N1CCCC1)C#N
Show InChI InChI=1S/C26H22F3N5O3/c1-32-23(17-5-4-15(14-30)12-18(17)24(36)33-10-2-3-11-33)22-19(6-7-20(22)35)34(25(32)37)16-8-9-31-21(13-16)26(27,28)29/h4-5,8-9,12-13,23H,2-3,6-7,10-11H2,1H3
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n/an/a 32.8n/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))
BDBM252360
PNG
(US9458113, 4.17)
Show SMILES CN1C(C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1C(=O)N1CC2COCC(C1)N2)C#N
Show InChI InChI=1S/C29H26F3N5O4/c1-35-26(21-6-5-16(11-33)9-22(21)27(39)36-12-18-14-41-15-19(13-36)34-18)25-23(7-8-24(25)38)37(28(35)40)20-4-2-3-17(10-20)29(30,31)32/h2-6,9-10,18-19,26,34H,7-8,12-15H2,1H3
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n/an/a 36.2n/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))
BDBM252368
PNG
(US9458113, 8)
Show SMILES CN1C(C2=C(CCC2=O)N(C1=O)c1ccnc(c1)C(F)(F)F)c1ccc(cc1C(N)=O)C#N
Show InChI InChI=1S/C22H16F3N5O3/c1-29-19(13-3-2-11(10-26)8-14(13)20(27)32)18-15(4-5-16(18)31)30(21(29)33)12-6-7-28-17(9-12)22(23,24)25/h2-3,6-9,19H,4-5H2,1H3,(H2,27,32)
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n/an/a 41n/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))
BDBM252416
PNG
(US9458113, 17.1)
Show SMILES CN1C(C2=C(CCC2=O)N(C1=O)c1ccnc(c1)C(F)(F)F)c1ccc(cc1-c1ccn(C)n1)C#N
Show InChI InChI=1S/C25H19F3N6O2/c1-32-10-8-18(31-32)17-11-14(13-29)3-4-16(17)23-22-19(5-6-20(22)35)34(24(36)33(23)2)15-7-9-30-21(12-15)25(26,27)28/h3-4,7-12,23H,5-6H2,1-2H3
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n/an/a 50.2n/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))
BDBM252373
PNG
(US9458113, 8.5)
Show SMILES CN1C(C2=C(CCC2=O)N(C1=O)c1ccnc(c1)C(F)(F)F)c1ccc(cc1C(=O)N1CCOCC1)C#N
Show InChI InChI=1S/C26H22F3N5O4/c1-32-23(17-3-2-15(14-30)12-18(17)24(36)33-8-10-38-11-9-33)22-19(4-5-20(22)35)34(25(32)37)16-6-7-31-21(13-16)26(27,28)29/h2-3,6-7,12-13,23H,4-5,8-11H2,1H3
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n/an/a 71.6n/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))
BDBM252372
PNG
(US9458113, 8.4)
Show SMILES CN1C(C2=C(CCC2=O)N(C1=O)c1ccnc(c1)C(F)(F)F)c1ccc(cc1C(=O)N1CCCCC1)C#N
Show InChI InChI=1S/C27H24F3N5O3/c1-33-24(18-6-5-16(15-31)13-19(18)25(37)34-11-3-2-4-12-34)23-20(7-8-21(23)36)35(26(33)38)17-9-10-32-22(14-17)27(28,29)30/h5-6,9-10,13-14,24H,2-4,7-8,11-12H2,1H3
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n/an/a 181n/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%