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Patent code US9475779

Compile Data Set for Download or QSAR
Found 63 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))
BDBM251860
PNG
(US9475779, C.6.2)
Show SMILES CCS(=O)c1cc(ccc1[C@@H]1N(C(=O)NC)C(=O)N(C2=C1C(=O)CC2)c1cccc(c1)C(F)(F)F)C#N
Show InChI InChI=1S/C25H21F3N4O4S/c1-3-37(36)20-11-14(13-29)7-8-17(20)22-21-18(9-10-19(21)33)31(24(35)32(22)23(34)30-2)16-6-4-5-15(12-16)25(26,27)28/h4-8,11-12,22H,3,9-10H2,1-2H3,(H,30,34)/t22-,37?/m0/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))
BDBM251851
PNG
(US9475779, D.6)
Show SMILES CCS(=O)(=O)c1cc(ccc1C1N(C)C(=O)N(C2=C1C(=O)CC2)c1cccc(c1)C(F)F)C#N
Show InChI InChI=1S/C24H21F2N3O4S/c1-3-34(32,33)20-11-14(13-27)7-8-17(20)22-21-18(9-10-19(21)30)29(24(31)28(22)2)16-6-4-5-15(12-16)23(25)26/h4-8,11-12,22-23H,3,9-10H2,1-2H3
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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))
BDBM211813
PNG
(US9290459, 30A | US9475779, C.2A | US9670166, 30A)
Show SMILES CN1[C@@H](C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1S(C)=O)C#N
Show InChI InChI=1S/C23H18F3N3O3S/c1-28-21(16-7-6-13(12-27)10-19(16)33(2)32)20-17(8-9-18(20)30)29(22(28)31)15-5-3-4-14(11-15)23(24,25)26/h3-7,10-11,21H,8-9H2,1-2H3/t21-,33?/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))
BDBM251819
PNG
(US9475779, A.2)
Show SMILES CN1C(C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1C(C)(C)O)C#N
Show InChI InChI=1S/C25H22F3N3O3/c1-24(2,34)18-11-14(13-29)7-8-17(18)22-21-19(9-10-20(21)32)31(23(33)30(22)3)16-6-4-5-15(12-16)25(26,27)28/h4-8,11-12,22,34H,9-10H2,1-3H3
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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))
BDBM251845
PNG
(US9475779, D.4.5)
Show SMILES CCNC(=O)N1C(C2=C(CCC2=O)N(C1=O)c1cc(ccn1)C(F)(F)F)c1ccc(cc1S(C)(=O)=O)C#N
Show InChI InChI=1S/C24H20F3N5O5S/c1-3-29-22(34)32-21(15-5-4-13(12-28)10-18(15)38(2,36)37)20-16(6-7-17(20)33)31(23(32)35)19-11-14(8-9-30-19)24(25,26)27/h4-5,8-11,21H,3,6-7H2,1-2H3,(H,29,34)
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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))
BDBM251844
PNG
(US9475779, D.4.4)
Show SMILES CNC(=O)N1C(C2=C(CCC2=O)N(C1=O)c1cc(ccn1)C(F)(F)F)c1ccc(cc1S(C)(=O)=O)C#N
Show InChI InChI=1S/C23H18F3N5O5S/c1-28-21(33)31-20(14-4-3-12(11-27)9-17(14)37(2,35)36)19-15(5-6-16(19)32)30(22(31)34)18-10-13(7-8-29-18)23(24,25)26/h3-4,7-10,20H,5-6H2,1-2H3,(H,28,33)
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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))
BDBM251826
PNG
(US9475779, B.1.2B)
Show SMILES CN1[C@H](C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1S(=O)(=O)CCO)C#N
Show InChI InChI=1S/C24H20F3N3O5S/c1-29-22(17-6-5-14(13-28)11-20(17)36(34,35)10-9-31)21-18(7-8-19(21)32)30(23(29)33)16-4-2-3-15(12-16)24(25,26)27/h2-6,11-12,22,31H,7-10H2,1H3/t22-/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))
BDBM251848
PNG
(US9475779, D.4.8)
Show SMILES CNC(=O)N1C(C2=C(CCC2=O)N(C1=O)c1cncc(Cl)c1)c1ccc(cc1S(C)(=O)=O)C#N
Show InChI InChI=1S/C22H18ClN5O5S/c1-25-21(30)28-20(15-4-3-12(9-24)7-18(15)34(2,32)33)19-16(5-6-17(19)29)27(22(28)31)14-8-13(23)10-26-11-14/h3-4,7-8,10-11,20H,5-6H2,1-2H3,(H,25,30)
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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))
BDBM251852
PNG
(US9475779, D.7)
Show SMILES CCS(=O)(=O)c1cc(ccc1C1N(C(=O)NC)C(=O)N(C2=C1C(=O)CC2)c1cccc(c1)C(F)F)C#N
Show InChI InChI=1S/C25H22F2N4O5S/c1-3-37(35,36)20-11-14(13-28)7-8-17(20)22-21-18(9-10-19(21)32)30(25(34)31(22)24(33)29-2)16-6-4-5-15(12-16)23(26)27/h4-8,11-12,22-23H,3,9-10H2,1-2H3,(H,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))
BDBM251829
PNG
(US9475779, C.6.1)
Show SMILES CCS(=O)c1cc(ccc1[C@H]1N(C(=O)NC)C(=O)N(C2=C1C(=O)CC2)c1cccc(c1)C(F)(F)F)C#N
Show InChI InChI=1S/C25H21F3N4O4S/c1-3-37(36)20-11-14(13-29)7-8-17(20)22-21-18(9-10-19(21)33)31(24(35)32(22)23(34)30-2)16-6-4-5-15(12-16)25(26,27)28/h4-8,11-12,22H,3,9-10H2,1-2H3,(H,30,34)/t22-,37?/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))
BDBM211927
PNG
(US9290459, 51.4 | US9475779, C.3 | US9670166, 51.4)
Show SMILES CCNC(=O)N1C(C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1S(C)=O)C#N
Show InChI InChI=1S/C25H21F3N4O4S/c1-3-30-23(34)32-22(17-8-7-14(13-29)11-20(17)37(2)36)21-18(9-10-19(21)33)31(24(32)35)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))
BDBM251841
PNG
(US9475779, D.4.1)
Show SMILES CCNC(=O)N1C(C2=C(CCC2=O)N(C1=O)c1ccnc(c1)C(F)(F)F)c1ccc(cc1S(=O)(=O)CC)C#N
Show InChI InChI=1S/C25H22F3N5O5S/c1-3-30-23(35)33-22(16-6-5-14(13-29)11-19(16)39(37,38)4-2)21-17(7-8-18(21)34)32(24(33)36)15-9-10-31-20(12-15)25(26,27)28/h5-6,9-12,22H,3-4,7-8H2,1-2H3,(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))
BDBM251847
PNG
(US9475779, D.4.7)
Show SMILES CCNC(=O)N1C(C2=C(CCC2=O)N(C1=O)c1cncc(Br)c1)c1ccc(cc1S(C)(=O)=O)C#N
Show InChI InChI=1S/C23H20BrN5O5S/c1-3-27-22(31)29-21(16-5-4-13(10-25)8-19(16)35(2,33)34)20-17(6-7-18(20)30)28(23(29)32)15-9-14(24)11-26-12-15/h4-5,8-9,11-12,21H,3,6-7H2,1-2H3,(H,27,31)
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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))
BDBM251849
PNG
(US9475779, D.4.9)
Show SMILES CCNC(=O)N1C(C2=C(CCC2=O)N(C1=O)c1cncc(Cl)c1)c1ccc(cc1S(C)(=O)=O)C#N
Show InChI InChI=1S/C23H20ClN5O5S/c1-3-27-22(31)29-21(16-5-4-13(10-25)8-19(16)35(2,33)34)20-17(6-7-18(20)30)28(23(29)32)15-9-14(24)11-26-12-15/h4-5,8-9,11-12,21H,3,6-7H2,1-2H3,(H,27,31)
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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))
BDBM251842
PNG
(US9475779, D.4.2)
Show SMILES CNC(=O)N1C(C2=C(CCC2=O)N(C1=O)c1cncc(c1)C(F)(F)F)c1ccc(cc1S(C)(=O)=O)C#N
Show InChI InChI=1S/C23H18F3N5O5S/c1-28-21(33)31-20(15-4-3-12(9-27)7-18(15)37(2,35)36)19-16(5-6-17(19)32)30(22(31)34)14-8-13(10-29-11-14)23(24,25)26/h3-4,7-8,10-11,20H,5-6H2,1-2H3,(H,28,33)
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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))
BDBM251854
PNG
(US9475779, E.3A)
Show SMILES CS(=O)(=O)c1cc(ccc1[C@H]1N(CC2COC2)C(=O)N(C2=C1C(=O)CC2)c1cccc(c1)C(F)(F)F)C#N
Show InChI InChI=1S/C26H22F3N3O5S/c1-38(35,36)22-9-15(11-30)5-6-19(22)24-23-20(7-8-21(23)33)32(25(34)31(24)12-16-13-37-14-16)18-4-2-3-17(10-18)26(27,28)29/h2-6,9-10,16,24H,7-8,12-14H2,1H3/t24-/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))
BDBM251824
PNG
(US9475779, B.1.3A)
Show SMILES CN1[C@@H](C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1S(=O)(=O)CCCO)C#N
Show InChI InChI=1S/C25H22F3N3O5S/c1-30-23(18-7-6-15(14-29)12-21(18)37(35,36)11-3-10-32)22-19(8-9-20(22)33)31(24(30)34)17-5-2-4-16(13-17)25(26,27)28/h2,4-7,12-13,23,32H,3,8-11H2,1H3/t23-/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))
BDBM251855
PNG
(US9475779, A.1A)
Show SMILES CN1[C@@H](C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1CO)C#N
Show InChI InChI=1S/C23H18F3N3O3/c1-28-21(17-6-5-13(11-27)9-14(17)12-30)20-18(7-8-19(20)31)29(22(28)32)16-4-2-3-15(10-16)23(24,25)26/h2-6,9-10,21,30H,7-8,12H2,1H3/t21-/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))
BDBM211813
PNG
(US9290459, 30A | US9475779, C.2A | US9670166, 30A)
Show SMILES CN1[C@@H](C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1S(C)=O)C#N
Show InChI InChI=1S/C23H18F3N3O3S/c1-28-21(16-7-6-13(12-27)10-19(16)33(2)32)20-17(8-9-18(20)30)29(22(28)31)15-5-3-4-14(11-15)23(24,25)26/h3-7,10-11,21H,8-9H2,1-2H3/t21-,33?/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))
BDBM251840
PNG
(US9475779, D.4)
Show SMILES CCS(=O)(=O)c1cc(ccc1C1N(C(=O)NC)C(=O)N(C2=C1C(=O)CC2)c1ccnc(c1)C(F)(F)F)C#N
Show InChI InChI=1S/C24H20F3N5O5S/c1-3-38(36,37)18-10-13(12-28)4-5-15(18)21-20-16(6-7-17(20)33)31(23(35)32(21)22(34)29-2)14-8-9-30-19(11-14)24(25,26)27/h4-5,8-11,21H,3,6-7H2,1-2H3,(H,29,34)
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Boehringer Ingelheim International GmbH

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


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


(Homo sapiens (Human))
BDBM251853
PNG
(US9475779, E.1)
Show SMILES CS(=O)(=O)c1cc(ccc1C1N(CCO)C(=O)N(C2=C1C(=O)CC2)c1cccc(c1)C(F)(F)F)C#N
Show InChI InChI=1S/C24H20F3N3O5S/c1-36(34,35)20-11-14(13-28)5-6-17(20)22-21-18(7-8-19(21)32)30(23(33)29(22)9-10-31)16-4-2-3-15(12-16)24(25,26)27/h2-6,11-12,22,31H,7-10H2,1H3
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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))
BDBM211947
PNG
(US9290459, 56.2 | US9475779, D.4.10 | US9670166, 5...)
Show SMILES CCNC(=O)N1C(C2=C(CCC2=O)N(C1=O)c1ccnc(c1)C(F)(F)F)c1ccc(cc1S(C)(=O)=O)C#N
Show InChI InChI=1S/C24H20F3N5O5S/c1-3-29-22(34)32-21(15-5-4-13(12-28)10-18(15)38(2,36)37)20-16(6-7-17(20)33)31(23(32)35)14-8-9-30-19(11-14)24(25,26)27/h4-5,8-11,21H,3,6-7H2,1-2H3,(H,29,34)
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Boehringer Ingelheim International GmbH

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


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


(Homo sapiens (Human))
BDBM251825
PNG
(US9475779, B.1.4)
Show SMILES COCCS(=O)(=O)c1cc(ccc1C1N(C)C(=O)N(C2=C1C(=O)CC2)c1cccc(c1)C(F)(F)F)C#N
Show InChI InChI=1S/C25H22F3N3O5S/c1-30-23(18-7-6-15(14-29)12-21(18)37(34,35)11-10-36-2)22-19(8-9-20(22)32)31(24(30)33)17-5-3-4-16(13-17)25(26,27)28/h3-7,12-13,23H,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))
BDBM251820
PNG
(US9475779, A.3)
Show SMILES CC(O)c1cc(ccc1C1N(C)C(=O)N(C2=C1C(=O)CC2)c1cccc(c1)C(F)(F)F)C#N
Show InChI InChI=1S/C24H20F3N3O3/c1-13(31)18-10-14(12-28)6-7-17(18)22-21-19(8-9-20(21)32)30(23(33)29(22)2)16-5-3-4-15(11-16)24(25,26)27/h3-7,10-11,13,22,31H,8-9H2,1-2H3
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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))
BDBM211793
PNG
(US9290459, 24.1 | US9475779, E.2 | US9670166, 24.1)
Show SMILES CS(=O)(=O)c1cc(ccc1C1N(CCCO)C(=O)N(C2=C1C(=O)CC2)c1cccc(c1)C(F)(F)F)C#N
Show InChI InChI=1S/C25H22F3N3O5S/c1-37(35,36)21-12-15(14-29)6-7-18(21)23-22-19(8-9-20(22)33)31(24(34)30(23)10-3-11-32)17-5-2-4-16(13-17)25(26,27)28/h2,4-7,12-13,23,32H,3,8-11H2,1H3
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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))
BDBM251863
PNG
(US9475779, D.4.1A)
Show SMILES CCNC(=O)N1[C@@H](C2=C(CCC2=O)N(C1=O)c1ccnc(c1)C(F)(F)F)c1ccc(cc1S(=O)(=O)CC)C#N
Show InChI InChI=1S/C25H22F3N5O5S/c1-3-30-23(35)33-22(16-6-5-14(13-29)11-19(16)39(37,38)4-2)21-17(7-8-18(21)34)32(24(33)36)15-9-10-31-20(12-15)25(26,27)28/h5-6,9-12,22H,3-4,7-8H2,1-2H3,(H,30,35)/t22-/m1/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))
BDBM251843
PNG
(US9475779, D.4.3)
Show SMILES CCNC(=O)N1C(C2=C(CCC2=O)N(C1=O)c1cncc(c1)C(F)(F)F)c1ccc(cc1S(C)(=O)=O)C#N
Show InChI InChI=1S/C24H20F3N5O5S/c1-3-30-22(34)32-21(16-5-4-13(10-28)8-19(16)38(2,36)37)20-17(6-7-18(20)33)31(23(32)35)15-9-14(11-29-12-15)24(25,26)27/h4-5,8-9,11-12,21H,3,6-7H2,1-2H3,(H,30,34)
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Boehringer Ingelheim International GmbH

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


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


(Homo sapiens (Human))
BDBM251846
PNG
(US9475779, D.4.6)
Show SMILES CNC(=O)N1C(C2=C(CCC2=O)N(C1=O)c1cncc(Br)c1)c1ccc(cc1S(C)(=O)=O)C#N
Show InChI InChI=1S/C22H18BrN5O5S/c1-25-21(30)28-20(15-4-3-12(9-24)7-18(15)34(2,32)33)19-16(5-6-17(19)29)27(22(28)31)14-8-13(23)10-26-11-14/h3-4,7-8,10-11,20H,5-6H2,1-2H3,(H,25,30)
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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))
BDBM251835
PNG
(US9475779, D.3 | US9475779, D.3B)
Show SMILES CCS(=O)(=O)c1cc(ccc1C1N(C)C(=O)N(C2=C1C(=O)CC2)c1ccnc(c1)C(F)(F)F)C#N
Show InChI InChI=1S/C23H19F3N4O4S/c1-3-35(33,34)18-10-13(12-27)4-5-15(18)21-20-16(6-7-17(20)31)30(22(32)29(21)2)14-8-9-28-19(11-14)23(24,25)26/h4-5,8-11,21H,3,6-7H2,1-2H3
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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))
BDBM251818
PNG
(US9475779, A.1)
Show SMILES CN1C(C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1CO)C#N
Show InChI InChI=1S/C23H18F3N3O3/c1-28-21(17-6-5-13(11-27)9-14(17)12-30)20-18(7-8-19(20)31)29(22(28)32)16-4-2-3-15(10-16)23(24,25)26/h2-6,9-10,21,30H,7-8,12H2,1H3
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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))
BDBM251859
PNG
(US9475779, C.5.2)
Show SMILES CCS(=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/C24H20F3N3O3S/c1-3-34(33)20-11-14(13-28)7-8-17(20)22-21-18(9-10-19(21)31)30(23(32)29(22)2)16-6-4-5-15(12-16)24(25,26)27/h4-8,11-12,22H,3,9-10H2,1-2H3/t22-,34?/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))
BDBM251828
PNG
(US9475779, C.5.1)
Show SMILES CCS(=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/C24H20F3N3O3S/c1-3-34(33)20-11-14(13-28)7-8-17(20)22-21-18(9-10-19(21)31)30(23(32)29(22)2)16-6-4-5-15(12-16)24(25,26)27/h4-8,11-12,22H,3,9-10H2,1-2H3/t22-,34?/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))
BDBM251821
PNG
(US9475779, B.1)
Show SMILES OCCCS(=O)(=O)c1cc(ccc1C1NC(=O)N(C2=C1C(=O)CC2)c1cccc(c1)C(F)(F)F)C#N
Show InChI InChI=1S/C24H20F3N3O5S/c25-24(26,27)15-3-1-4-16(12-15)30-18-7-8-19(32)21(18)22(29-23(30)33)17-6-5-14(13-28)11-20(17)36(34,35)10-2-9-31/h1,3-6,11-12,22,31H,2,7-10H2,(H,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))
BDBM251865
PNG
(US9475779, D.5A)
Show SMILES CCS(=O)(=O)c1cc(ccc1[C@H]1NC(=O)N(C2=C1C(=O)CC2)c1cccc(c1)C(F)F)C#N
Show InChI InChI=1S/C23H19F2N3O4S/c1-2-33(31,32)19-10-13(12-26)6-7-16(19)21-20-17(8-9-18(20)29)28(23(30)27-21)15-5-3-4-14(11-15)22(24)25/h3-7,10-11,21-22H,2,8-9H2,1H3,(H,27,30)/t21-/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))
BDBM211812
PNG
(US9290459, 29 | US9475779, D.1A)
Show SMILES CN1[C@@H](C2=C(CCC2=O)N(C1=O)c1ccnc(c1)C(F)(F)F)c1ccc(cc1S(C)(=O)=O)C#N
Show InChI InChI=1S/C22H17F3N4O4S/c1-28-20(14-4-3-12(11-26)9-17(14)34(2,32)33)19-15(5-6-16(19)30)29(21(28)31)13-7-8-27-18(10-13)22(23,24)25/h3-4,7-10,20H,5-6H2,1-2H3/t20-/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))
BDBM251835
PNG
(US9475779, D.3 | US9475779, D.3B)
Show SMILES CCS(=O)(=O)c1cc(ccc1C1N(C)C(=O)N(C2=C1C(=O)CC2)c1ccnc(c1)C(F)(F)F)C#N
Show InChI InChI=1S/C23H19F3N4O4S/c1-3-35(33,34)18-10-13(12-27)4-5-15(18)21-20-16(6-7-17(20)31)30(22(32)29(21)2)14-8-9-28-19(11-14)23(24,25)26/h4-5,8-11,21H,3,6-7H2,1-2H3
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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))
BDBM251827
PNG
(US9475779, C.4.1)
Show SMILES CCS(=O)c1cc(ccc1[C@H]1NC(=O)N(C2=C1C(=O)CC2)c1cccc(c1)C(F)(F)F)C#N
Show InChI InChI=1S/C23H18F3N3O3S/c1-2-33(32)19-10-13(12-27)6-7-16(19)21-20-17(8-9-18(20)30)29(22(31)28-21)15-5-3-4-14(11-15)23(24,25)26/h3-7,10-11,21H,2,8-9H2,1H3,(H,28,31)/t21-,33?/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))
BDBM251850
PNG
(US9475779, D.5)
Show SMILES CCS(=O)(=O)c1cc(ccc1C1NC(=O)N(C2=C1C(=O)CC2)c1cccc(c1)C(F)F)C#N
Show InChI InChI=1S/C23H19F2N3O4S/c1-2-33(31,32)19-10-13(12-26)6-7-16(19)21-20-17(8-9-18(20)29)28(23(30)27-21)15-5-3-4-14(11-15)22(24)25/h3-7,10-11,21-22H,2,8-9H2,1H3,(H,27,30)
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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))
BDBM251822
PNG
(US9475779, B.1.1)
Show SMILES COCCS(=O)(=O)c1cc(ccc1C1NC(=O)N(C2=C1C(=O)CC2)c1cccc(c1)C(F)(F)F)C#N
Show InChI InChI=1S/C24H20F3N3O5S/c1-35-9-10-36(33,34)20-11-14(13-28)5-6-17(20)22-21-18(7-8-19(21)31)30(23(32)29-22)16-4-2-3-15(12-16)24(25,26)27/h2-6,11-12,22H,7-10H2,1H3,(H,29,32)
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n/an/a 5.70n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


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


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


(Homo sapiens (Human))
BDBM251839
PNG
(US9475779, D.3.4)
Show SMILES CN1C(C2=C(CCC2=O)N(C1=O)c1cncc(Cl)c1)c1ccc(cc1S(C)(=O)=O)C#N
Show InChI InChI=1S/C21H17ClN4O4S/c1-25-20(15-4-3-12(9-23)7-18(15)31(2,29)30)19-16(5-6-17(19)27)26(21(25)28)14-8-13(22)10-24-11-14/h3-4,7-8,10-11,20H,5-6H2,1-2H3
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n/an/a 8.10n/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))
BDBM251836
PNG
(US9475779, D.3.1)
Show SMILES CN1C(C2=C(CCC2=O)N(C1=O)c1cncc(c1)C(F)(F)F)c1ccc(cc1S(C)(=O)=O)C#N
Show InChI InChI=1S/C22H17F3N4O4S/c1-28-20(15-4-3-12(9-26)7-18(15)34(2,32)33)19-16(5-6-17(19)30)29(21(28)31)14-8-13(10-27-11-14)22(23,24)25/h3-4,7-8,10-11,20H,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))
BDBM251858
PNG
(US9475779, C.4.2)
Show SMILES CCS(=O)c1cc(ccc1[C@@H]1NC(=O)N(C2=C1C(=O)CC2)c1cccc(c1)C(F)(F)F)C#N
Show InChI InChI=1S/C23H18F3N3O3S/c1-2-33(32)19-10-13(12-27)6-7-16(19)21-20-17(8-9-18(20)30)29(22(31)28-21)15-5-3-4-14(11-15)23(24,25)26/h3-7,10-11,21H,2,8-9H2,1H3,(H,28,31)/t21-,33?/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))
BDBM251837
PNG
(US9475779, D.3.2)
Show SMILES CN1C(C2=C(CCC2=O)N(C1=O)c1cc(ccn1)C(F)(F)F)c1ccc(cc1S(C)(=O)=O)C#N
Show InChI InChI=1S/C22H17F3N4O4S/c1-28-20(14-4-3-12(11-26)9-17(14)34(2,32)33)19-15(5-6-16(19)30)29(21(28)31)18-10-13(7-8-27-18)22(23,24)25/h3-4,7-10,20H,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))
BDBM251857
PNG
(US9475779, B.1.3B)
Show SMILES CN1[C@H](C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1S(=O)(=O)CCCO)C#N
Show InChI InChI=1S/C25H22F3N3O5S/c1-30-23(18-7-6-15(14-29)12-21(18)37(35,36)11-3-10-32)22-19(8-9-20(22)33)31(24(30)34)17-5-2-4-16(13-17)25(26,27)28/h2,4-7,12-13,23,32H,3,8-11H2,1H3/t23-/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))
BDBM251838
PNG
(US9475779, D.3.3)
Show SMILES CN1C(C2=C(CCC2=O)N(C1=O)c1cncc(Br)c1)c1ccc(cc1S(C)(=O)=O)C#N
Show InChI InChI=1S/C21H17BrN4O4S/c1-25-20(15-4-3-12(9-23)7-18(15)31(2,29)30)19-16(5-6-17(19)27)26(21(25)28)14-8-13(22)10-24-11-14/h3-4,7-8,10-11,20H,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))
BDBM211950
PNG
(US9290459, 30B | US9475779, C.2B | US9670166, 30B)
Show SMILES CN1[C@H](C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1S(C)=O)C#N
Show InChI InChI=1S/C23H18F3N3O3S/c1-28-21(16-7-6-13(12-27)10-19(16)33(2)32)20-17(8-9-18(20)30)29(22(28)31)15-5-3-4-14(11-15)23(24,25)26/h3-7,10-11,21H,8-9H2,1-2H3/t21-,33?/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))
BDBM211812
PNG
(US9290459, 29 | US9475779, D.1A)
Show SMILES CN1[C@@H](C2=C(CCC2=O)N(C1=O)c1ccnc(c1)C(F)(F)F)c1ccc(cc1S(C)(=O)=O)C#N
Show InChI InChI=1S/C22H17F3N4O4S/c1-28-20(14-4-3-12(11-26)9-17(14)34(2,32)33)19-15(5-6-16(19)30)29(21(28)31)13-7-8-27-18(10-13)22(23,24)25/h3-4,7-10,20H,5-6H2,1-2H3/t20-/m1/s1
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n/an/a 19n/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))
BDBM251830
PNG
(US9475779, D.2)
Show SMILES CCS(=O)(=O)c1cc(ccc1C1NC(=O)N(C2=C1C(=O)CC2)c1ccnc(c1)C(F)(F)F)C#N
Show InChI InChI=1S/C22H17F3N4O4S/c1-2-34(32,33)17-9-12(11-26)3-4-14(17)20-19-15(5-6-16(19)30)29(21(31)28-20)13-7-8-27-18(10-13)22(23,24)25/h3-4,7-10,20H,2,5-6H2,1H3,(H,28,31)
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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))
BDBM251831
PNG
(US9475779, D.2.1)
Show SMILES CS(=O)(=O)c1cc(ccc1C1NC(=O)N(C2=C1C(=O)CC2)c1cncc(c1)C(F)(F)F)C#N
Show InChI InChI=1S/C21H15F3N4O4S/c1-33(31,32)17-6-11(8-25)2-3-14(17)19-18-15(4-5-16(18)29)28(20(30)27-19)13-7-12(9-26-10-13)21(22,23)24/h2-3,6-7,9-10,19H,4-5H2,1H3,(H,27,30)
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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))
BDBM251832
PNG
(US9475779, D.2.2)
Show SMILES CS(=O)(=O)c1cc(ccc1C1NC(=O)N(C2=C1C(=O)CC2)c1cc(ccn1)C(F)(F)F)C#N
Show InChI InChI=1S/C21H15F3N4O4S/c1-33(31,32)16-8-11(10-25)2-3-13(16)19-18-14(4-5-15(18)29)28(20(30)27-19)17-9-12(6-7-26-17)21(22,23)24/h2-3,6-9,19H,4-5H2,1H3,(H,27,30)
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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))
BDBM251833
PNG
(US9475779, D.2.3)
Show SMILES CS(=O)(=O)c1cc(ccc1C1NC(=O)N(C2=C1C(=O)CC2)c1cncc(Br)c1)C#N
Show InChI InChI=1S/C20H15BrN4O4S/c1-30(28,29)17-6-11(8-22)2-3-14(17)19-18-15(4-5-16(18)26)25(20(27)24-19)13-7-12(21)9-23-10-13/h2-3,6-7,9-10,19H,4-5H2,1H3,(H,24,27)
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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))
BDBM251834
PNG
(US9475779, D.2.4)
Show SMILES CS(=O)(=O)c1cc(ccc1C1NC(=O)N(C2=C1C(=O)CC2)c1cncc(Cl)c1)C#N
Show InChI InChI=1S/C20H15ClN4O4S/c1-30(28,29)17-6-11(8-22)2-3-14(17)19-18-15(4-5-16(18)26)25(20(27)24-19)13-7-12(21)9-23-10-13/h2-3,6-7,9-10,19H,4-5H2,1H3,(H,24,27)
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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))
BDBM251867
PNG
(US9475779, E.3B)
Show SMILES CS(=O)(=O)c1cc(ccc1[C@@H]1N(CC2COC2)C(=O)N(C2=C1C(=O)CC2)c1cccc(c1)C(F)(F)F)C#N
Show InChI InChI=1S/C26H22F3N3O5S/c1-38(35,36)22-9-15(11-30)5-6-19(22)24-23-20(7-8-21(23)33)32(25(34)31(24)12-16-13-37-14-16)18-4-2-3-17(10-18)26(27,28)29/h2-6,9-10,16,24H,7-8,12-14H2,1H3/t24-/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))
BDBM251823
PNG
(US9475779, B.1.2A)
Show SMILES CN1[C@@H](C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1S(=O)(=O)CCO)C#N
Show InChI InChI=1S/C24H20F3N3O5S/c1-29-22(17-6-5-14(13-28)11-20(17)36(34,35)10-9-31)21-18(7-8-19(21)32)30(23(29)33)16-4-2-3-15(12-16)24(25,26)27/h2-6,11-12,22,31H,7-10H2,1H3/t22-/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))
BDBM251864
PNG
(US9475779, D.4.1B)
Show SMILES CCNC(=O)N1[C@H](C2=C(CCC2=O)N(C1=O)c1ccnc(c1)C(F)(F)F)c1ccc(cc1S(=O)(=O)CC)C#N
Show InChI InChI=1S/C25H22F3N5O5S/c1-3-30-23(35)33-22(16-6-5-14(13-29)11-19(16)39(37,38)4-2)21-17(7-8-18(21)34)32(24(33)36)15-9-10-31-20(12-15)25(26,27)28/h5-6,9-12,22H,3-4,7-8H2,1-2H3,(H,30,35)/t22-/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))
BDBM251866
PNG
(US9475779, D.5B)
Show SMILES CCS(=O)(=O)c1cc(ccc1[C@@H]1NC(=O)N(C2=C1C(=O)CC2)c1cccc(c1)C(F)F)C#N
Show InChI InChI=1S/C23H19F2N3O4S/c1-2-33(31,32)19-10-13(12-26)6-7-16(19)21-20-17(8-9-18(20)29)28(23(30)27-21)15-5-3-4-14(11-15)22(24)25/h3-7,10-11,21-22H,2,8-9H2,1H3,(H,27,30)/t21-/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))
BDBM211950
PNG
(US9290459, 30B | US9475779, C.2B | US9670166, 30B)
Show SMILES CN1[C@H](C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1S(C)=O)C#N
Show InChI InChI=1S/C23H18F3N3O3S/c1-28-21(16-7-6-13(12-27)10-19(16)33(2)32)20-17(8-9-18(20)30)29(22(28)31)15-5-3-4-14(11-15)23(24,25)26/h3-7,10-11,21H,8-9H2,1-2H3/t21-,33?/m0/s1
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n/an/a 1.83E+3n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


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


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


(Homo sapiens (Human))
BDBM251856
PNG
(US9475779, A.1B)
Show SMILES CN1[C@H](C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1CO)C#N
Show InChI InChI=1S/C23H18F3N3O3/c1-28-21(17-6-5-13(11-27)9-14(17)12-30)20-18(7-8-19(20)31)29(22(28)32)16-4-2-3-15(10-16)23(24,25)26/h2-6,9-10,21,30H,7-8,12H2,1H3/t21-/m0/s1
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n/an/a 2.78E+3n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


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


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Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM251861
PNG
(US9475779, D.3A)
Show SMILES CCS(=O)(=O)c1cc(ccc1[C@H]1N(C)C(=O)N(C2=C1C(=O)CC2)c1ccnc(c1)C(F)(F)F)C#N
Show InChI InChI=1S/C23H19F3N4O4S/c1-3-35(33,34)18-10-13(12-27)4-5-15(18)21-20-16(6-7-17(20)31)30(22(32)29(21)2)14-8-9-28-19(11-14)23(24,25)26/h4-5,8-11,21H,3,6-7H2,1-2H3/t21-/m1/s1
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US Patent
n/an/a 2.81E+3n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


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


Citation and Details
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM211812
PNG
(US9290459, 29 | US9475779, D.1A)
Show SMILES CN1[C@@H](C2=C(CCC2=O)N(C1=O)c1ccnc(c1)C(F)(F)F)c1ccc(cc1S(C)(=O)=O)C#N
Show InChI InChI=1S/C22H17F3N4O4S/c1-28-20(14-4-3-12(11-26)9-17(14)34(2,32)33)19-15(5-6-16(19)30)29(21(28)31)13-7-8-27-18(10-13)22(23,24)25/h3-4,7-10,20H,5-6H2,1-2H3/t20-/m1/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The inhibition of the hERG (human ether-a-go-go-related gene) potassium channel can be determined as described in Rast, G., & Guth, B. D., Journal of...


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More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM251826
PNG
(US9475779, B.1.2B)
Show SMILES CN1[C@H](C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1S(=O)(=O)CCO)C#N
Show InChI InChI=1S/C24H20F3N3O5S/c1-29-22(17-6-5-14(13-28)11-20(17)36(34,35)10-9-31)21-18(7-8-19(21)32)30(23(29)33)16-4-2-3-15(12-16)24(25,26)27/h2-6,11-12,22,31H,7-10H2,1H3/t22-/m0/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The inhibition of the hERG (human ether-a-go-go-related gene) potassium channel can be determined as described in Rast, G., & Guth, B. D., Journal of...


Citation and Details
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM251855
PNG
(US9475779, A.1A)
Show SMILES CN1[C@@H](C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1CO)C#N
Show InChI InChI=1S/C23H18F3N3O3/c1-28-21(17-6-5-13(11-27)9-14(17)12-30)20-18(7-8-19(20)31)29(22(28)32)16-4-2-3-15(10-16)23(24,25)26/h2-6,9-10,21,30H,7-8,12H2,1H3/t21-/m1/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The inhibition of the hERG (human ether-a-go-go-related gene) potassium channel can be determined as described in Rast, G., & Guth, B. D., Journal of...


Citation and Details
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM211813
PNG
(US9290459, 30A | US9475779, C.2A | US9670166, 30A)
Show SMILES CN1[C@@H](C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1S(C)=O)C#N
Show InChI InChI=1S/C23H18F3N3O3S/c1-28-21(16-7-6-13(12-27)10-19(16)33(2)32)20-17(8-9-18(20)30)29(22(28)31)15-5-3-4-14(11-15)23(24,25)26/h3-7,10-11,21H,8-9H2,1-2H3/t21-,33?/m1/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The inhibition of the hERG (human ether-a-go-go-related gene) potassium channel can be determined as described in Rast, G., & Guth, B. D., Journal of...


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