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Patent code US9657015

Compile Data Set for Download or QSAR
Found 73 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))
BDBM310019
PNG
(US9657015, Example 12 | US9657015, Example 12.1 | ...)
Show SMILES CNC(=O)CN1C(C2=C(CCNC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1)C#N
Show InChI InChI=1S/C24H20F3N5O3/c1-29-19(33)13-31-21(15-7-5-14(12-28)6-8-15)20-18(9-10-30-22(20)34)32(23(31)35)17-4-2-3-16(11-17)24(25,26)27/h2-8,11,21H,9-10,13H2,1H3,(H,29,33)(H,30,34)
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n/an/a<1n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Materials: Human neutrophil elastase was purchased from Calbiochem (Cat. No.: 324681) and the elastase substrate MeOSuc-Ala-Ala-Pro-Val-AMC from Bach...


US Patent US9657015 (2017)

More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM310046
PNG
(US9657015, Example 15 | US9657015, Example 15.1 | ...)
Show SMILES CNC(=O)CN1C(C2=C(CCN(C)C2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1)C#N
Show InChI InChI=1S/C25H22F3N5O3/c1-30-20(34)14-32-22(16-8-6-15(13-29)7-9-16)21-19(10-11-31(2)23(21)35)33(24(32)36)18-5-3-4-17(12-18)25(26,27)28/h3-9,12,22H,10-11,14H2,1-2H3,(H,30,34)
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n/an/a<1n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Materials: Human neutrophil elastase was purchased from Calbiochem (Cat. No.: 324681) and the elastase substrate MeOSuc-Ala-Ala-Pro-Val-AMC from Bach...


US Patent US9657015 (2017)

More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM310053
PNG
(US9657015, Example 16)
Show SMILES CNC(=O)N1C(C2=C(CCNC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1)C#N
Show InChI InChI=1S/C23H18F3N5O3/c1-28-21(33)31-19(14-7-5-13(12-27)6-8-14)18-17(9-10-29-20(18)32)30(22(31)34)16-4-2-3-15(11-16)23(24,25)26/h2-8,11,19H,9-10H2,1H3,(H,28,33)(H,29,32)
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n/an/a<1n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Materials: Human neutrophil elastase was purchased from Calbiochem (Cat. No.: 324681) and the elastase substrate MeOSuc-Ala-Ala-Pro-Val-AMC from Bach...


US Patent US9657015 (2017)

More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM310014
PNG
(US9657015, Example 8A)
Show SMILES CN1[C@@H](C2=C(CCNC2=O)N(C1=O)c1cccc(c1)C(F)F)c1ccc(cc1)C#N
Show InChI InChI=1S/C22H18F2N4O2/c1-27-19(14-7-5-13(12-25)6-8-14)18-17(9-10-26-21(18)29)28(22(27)30)16-4-2-3-15(11-16)20(23)24/h2-8,11,19-20H,9-10H2,1H3,(H,26,29)/t19-/m1/s1
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n/an/a<1n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Materials: Human neutrophil elastase was purchased from Calbiochem (Cat. No.: 324681) and the elastase substrate MeOSuc-Ala-Ala-Pro-Val-AMC from Bach...


US Patent US9657015 (2017)

More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM310019
PNG
(US9657015, Example 12 | US9657015, Example 12.1 | ...)
Show SMILES CNC(=O)CN1C(C2=C(CCNC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1)C#N
Show InChI InChI=1S/C24H20F3N5O3/c1-29-19(33)13-31-21(15-7-5-14(12-28)6-8-15)20-18(9-10-30-22(20)34)32(23(31)35)17-4-2-3-16(11-17)24(25,26)27/h2-8,11,21H,9-10,13H2,1H3,(H,29,33)(H,30,34)
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n/an/a<1n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Materials: Human neutrophil elastase was purchased from Calbiochem (Cat. No.: 324681) and the elastase substrate MeOSuc-Ala-Ala-Pro-Val-AMC from Bach...


US Patent US9657015 (2017)

More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM310046
PNG
(US9657015, Example 15 | US9657015, Example 15.1 | ...)
Show SMILES CNC(=O)CN1C(C2=C(CCN(C)C2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1)C#N
Show InChI InChI=1S/C25H22F3N5O3/c1-30-20(34)14-32-22(16-8-6-15(13-29)7-9-16)21-19(10-11-31(2)23(21)35)33(24(32)36)18-5-3-4-17(12-18)25(26,27)28/h3-9,12,22H,10-11,14H2,1-2H3,(H,30,34)
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n/an/a<1n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Materials: Human neutrophil elastase was purchased from Calbiochem (Cat. No.: 324681) and the elastase substrate MeOSuc-Ala-Ala-Pro-Val-AMC from Bach...


US Patent US9657015 (2017)

More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM310073
PNG
(US9657015, Example 33)
Show SMILES CN1C(C2=C(CCNC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1-c1ccncc1)C#N
Show InChI InChI=1S/C27H20F3N5O2/c1-34-24(20-6-5-16(15-31)13-21(20)17-7-10-32-11-8-17)23-22(9-12-33-25(23)36)35(26(34)37)19-4-2-3-18(14-19)27(28,29)30/h2-8,10-11,13-14,24H,9,12H2,1H3,(H,33,36)
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n/an/a<1n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Materials: Human neutrophil elastase was purchased from Calbiochem (Cat. No.: 324681) and the elastase substrate MeOSuc-Ala-Ala-Pro-Val-AMC from Bach...


US Patent US9657015 (2017)

More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM310046
PNG
(US9657015, Example 15 | US9657015, Example 15.1 | ...)
Show SMILES CNC(=O)CN1C(C2=C(CCN(C)C2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1)C#N
Show InChI InChI=1S/C25H22F3N5O3/c1-30-20(34)14-32-22(16-8-6-15(13-29)7-9-16)21-19(10-11-31(2)23(21)35)33(24(32)36)18-5-3-4-17(12-18)25(26,27)28/h3-9,12,22H,10-11,14H2,1-2H3,(H,30,34)
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n/an/a<1n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Materials: Human neutrophil elastase was purchased from Calbiochem (Cat. No.: 324681) and the elastase substrate MeOSuc-Ala-Ala-Pro-Val-AMC from Bach...


US Patent US9657015 (2017)

More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM310059
PNG
(US9657015, Example 22)
Show SMILES CN1C(C2=C(CCNC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1Br)C#N
Show InChI InChI=1S/C22H16BrF3N4O2/c1-29-19(15-6-5-12(11-27)9-16(15)23)18-17(7-8-28-20(18)31)30(21(29)32)14-4-2-3-13(10-14)22(24,25)26/h2-6,9-10,19H,7-8H2,1H3,(H,28,31)
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n/an/a<1n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Materials: Human neutrophil elastase was purchased from Calbiochem (Cat. No.: 324681) and the elastase substrate MeOSuc-Ala-Ala-Pro-Val-AMC from Bach...


US Patent US9657015 (2017)

More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM310064
PNG
(US9657015, Example 27)
Show SMILES FC(F)(F)c1cccc(c1)N1C(=O)NC(C2=C1CCNC2=O)c1ccc(cc1C(F)(F)F)C#N
Show InChI InChI=1S/C22H14F6N4O2/c23-21(24,25)12-2-1-3-13(9-12)32-16-6-7-30-19(33)17(16)18(31-20(32)34)14-5-4-11(10-29)8-15(14)22(26,27)28/h1-5,8-9,18H,6-7H2,(H,30,33)(H,31,34)
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n/an/a<1n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Materials: Human neutrophil elastase was purchased from Calbiochem (Cat. No.: 324681) and the elastase substrate MeOSuc-Ala-Ala-Pro-Val-AMC from Bach...


US Patent US9657015 (2017)

More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM310065
PNG
(US9657015, Example 28)
Show SMILES CN1C(C2=C(CCNC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1C(F)(F)F)C#N
Show InChI InChI=1S/C23H16F6N4O2/c1-32-19(15-6-5-12(11-30)9-16(15)23(27,28)29)18-17(7-8-31-20(18)34)33(21(32)35)14-4-2-3-13(10-14)22(24,25)26/h2-6,9-10,19H,7-8H2,1H3,(H,31,34)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Materials: Human neutrophil elastase was purchased from Calbiochem (Cat. No.: 324681) and the elastase substrate MeOSuc-Ala-Ala-Pro-Val-AMC from Bach...


US Patent US9657015 (2017)

More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM310076
PNG
(US9657015, Example 36 | US9657015, Example 36.1 | ...)
Show SMILES CN1CCC2=C(C(N(C)C(=O)N2c2cccc(c2)C(F)(F)F)c2ccc(cc2-c2cnn(C)c2)C#N)C1=O
Show InChI InChI=1S/C27H23F3N6O2/c1-33-10-9-22-23(25(33)37)24(20-8-7-16(13-31)11-21(20)17-14-32-34(2)15-17)35(3)26(38)36(22)19-6-4-5-18(12-19)27(28,29)30/h4-8,11-12,14-15,24H,9-10H2,1-3H3
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n/an/a<1n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Materials: Human neutrophil elastase was purchased from Calbiochem (Cat. No.: 324681) and the elastase substrate MeOSuc-Ala-Ala-Pro-Val-AMC from Bach...


US Patent US9657015 (2017)

More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM310054
PNG
(BDBM310055 | US9657015, Example 17)
Show SMILES OCCNC(=O)N1CCC2=C(C(NC(=O)N2c2cccc(c2)C(F)(F)F)c2ccc(cc2)C#N)C1=O
Show InChI InChI=1S/C24H20F3N5O4/c25-24(26,27)16-2-1-3-17(12-16)32-18-8-10-31(22(35)29-9-11-33)21(34)19(18)20(30-23(32)36)15-6-4-14(13-28)5-7-15/h1-7,12,20,33H,8-11H2,(H,29,35)(H,30,36)
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n/an/a<1n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Materials: Human neutrophil elastase was purchased from Calbiochem (Cat. No.: 324681) and the elastase substrate MeOSuc-Ala-Ala-Pro-Val-AMC from Bach...


US Patent US9657015 (2017)

More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM310062
PNG
(US9657015, Example 25 | US9657015, Example 30A)
Show SMILES CN1C(C2=C(CCNC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1-c1cnco1)C#N
Show InChI InChI=1S/C25H18F3N5O3/c1-32-22(17-6-5-14(11-29)9-18(17)20-12-30-13-36-20)21-19(7-8-31-23(21)34)33(24(32)35)16-4-2-3-15(10-16)25(26,27)28/h2-6,9-10,12-13,22H,7-8H2,1H3,(H,31,34)
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n/an/a<1n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Materials: Human neutrophil elastase was purchased from Calbiochem (Cat. No.: 324681) and the elastase substrate MeOSuc-Ala-Ala-Pro-Val-AMC from Bach...


US Patent US9657015 (2017)

More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM310063
PNG
(US9657015, Example 26)
Show SMILES CN1C(C2=C(CCNC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1-c1cnn(C)c1)C#N
Show InChI InChI=1S/C26H21F3N6O2/c1-33-14-16(13-32-33)20-10-15(12-30)6-7-19(20)23-22-21(8-9-31-24(22)36)35(25(37)34(23)2)18-5-3-4-17(11-18)26(27,28)29/h3-7,10-11,13-14,23H,8-9H2,1-2H3,(H,31,36)
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n/an/a<1n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Materials: Human neutrophil elastase was purchased from Calbiochem (Cat. No.: 324681) and the elastase substrate MeOSuc-Ala-Ala-Pro-Val-AMC from Bach...


US Patent US9657015 (2017)

More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM310069
PNG
(US9657015, Example 31A)
Show SMILES CN1[C@@H](C2=C(CCNC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1-c1cnn(C)c1)C#N
Show InChI InChI=1S/C26H21F3N6O2/c1-33-14-16(13-32-33)20-10-15(12-30)6-7-19(20)23-22-21(8-9-31-24(22)36)35(25(37)34(23)2)18-5-3-4-17(11-18)26(27,28)29/h3-7,10-11,13-14,23H,8-9H2,1-2H3,(H,31,36)/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
Materials: Human neutrophil elastase was purchased from Calbiochem (Cat. No.: 324681) and the elastase substrate MeOSuc-Ala-Ala-Pro-Val-AMC from Bach...


US Patent US9657015 (2017)

More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM310085
PNG
(US9657015, Example 40)
Show SMILES CN1C(C2=C(CCNC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1S(C)(=O)=O)C#N
Show InChI InChI=1S/C23H19F3N4O4S/c1-29-20(16-7-6-13(12-27)10-18(16)35(2,33)34)19-17(8-9-28-21(19)31)30(22(29)32)15-5-3-4-14(11-15)23(24,25)26/h3-7,10-11,20H,8-9H2,1-2H3,(H,28,31)
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n/an/a<1n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Materials: Human neutrophil elastase was purchased from Calbiochem (Cat. No.: 324681) and the elastase substrate MeOSuc-Ala-Ala-Pro-Val-AMC from Bach...


US Patent US9657015 (2017)

More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM310019
PNG
(US9657015, Example 12 | US9657015, Example 12.1 | ...)
Show SMILES CNC(=O)CN1C(C2=C(CCNC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1)C#N
Show InChI InChI=1S/C24H20F3N5O3/c1-29-19(33)13-31-21(15-7-5-14(12-28)6-8-15)20-18(9-10-30-22(20)34)32(23(31)35)17-4-2-3-16(11-17)24(25,26)27/h2-8,11,21H,9-10,13H2,1H3,(H,29,33)(H,30,34)
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n/an/a<1n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Materials: Human neutrophil elastase was purchased from Calbiochem (Cat. No.: 324681) and the elastase substrate MeOSuc-Ala-Ala-Pro-Val-AMC from Bach...


US Patent US9657015 (2017)

More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM310066
PNG
(US9657015, Example 29)
Show SMILES CN1C(C2=C(CCNC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1CO)C#N
Show InChI InChI=1S/C23H19F3N4O3/c1-29-20(17-6-5-13(11-27)9-14(17)12-31)19-18(7-8-28-21(19)32)30(22(29)33)16-4-2-3-15(10-16)23(24,25)26/h2-6,9-10,20,31H,7-8,12H2,1H3,(H,28,32)
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n/an/a<1n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Materials: Human neutrophil elastase was purchased from Calbiochem (Cat. No.: 324681) and the elastase substrate MeOSuc-Ala-Ala-Pro-Val-AMC from Bach...


US Patent US9657015 (2017)

More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM310080
PNG
(US9657015, Example 37)
Show SMILES CN1CCC2=C(C(N(C)C(=O)N2c2cccc(c2)C(F)(F)F)c2ccc(cc2-c2cnco2)C#N)C1=O
Show InChI InChI=1S/C26H20F3N5O3/c1-32-9-8-20-22(24(32)35)23(18-7-6-15(12-30)10-19(18)21-13-31-14-37-21)33(2)25(36)34(20)17-5-3-4-16(11-17)26(27,28)29/h3-7,10-11,13-14,23H,8-9H2,1-2H3
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n/an/a<1n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Materials: Human neutrophil elastase was purchased from Calbiochem (Cat. No.: 324681) and the elastase substrate MeOSuc-Ala-Ala-Pro-Val-AMC from Bach...


US Patent US9657015 (2017)

More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM310012
PNG
(US9657015, Example 6)
Show SMILES CN1[C@@H](C2=C(CCNC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1)C#N
Show InChI InChI=1S/C22H17F3N4O2/c1-28-19(14-7-5-13(12-26)6-8-14)18-17(9-10-27-20(18)30)29(21(28)31)16-4-2-3-15(11-16)22(23,24)25/h2-8,11,19H,9-10H2,1H3,(H,27,30)/t19-/m1/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Materials: Human neutrophil elastase was purchased from Calbiochem (Cat. No.: 324681) and the elastase substrate MeOSuc-Ala-Ala-Pro-Val-AMC from Bach...


US Patent US9657015 (2017)

More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM310046
PNG
(US9657015, Example 15 | US9657015, Example 15.1 | ...)
Show SMILES CNC(=O)CN1C(C2=C(CCN(C)C2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1)C#N
Show InChI InChI=1S/C25H22F3N5O3/c1-30-20(34)14-32-22(16-8-6-15(13-29)7-9-16)21-19(10-11-31(2)23(21)35)33(24(32)36)18-5-3-4-17(12-18)25(26,27)28/h3-9,12,22H,10-11,14H2,1-2H3,(H,30,34)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Materials: Human neutrophil elastase was purchased from Calbiochem (Cat. No.: 324681) and the elastase substrate MeOSuc-Ala-Ala-Pro-Val-AMC from Bach...


US Patent US9657015 (2017)

More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM310060
PNG
(US9657015, Example 23)
Show SMILES FC(F)(F)c1cccc(c1)N1C(=O)NC(C2=C1CCNC2=O)c1ccc(cc1-c1cnco1)C#N
Show InChI InChI=1S/C24H16F3N5O3/c25-24(26,27)14-2-1-3-15(9-14)32-18-6-7-30-22(33)20(18)21(31-23(32)34)16-5-4-13(10-28)8-17(16)19-11-29-12-35-19/h1-5,8-9,11-12,21H,6-7H2,(H,30,33)(H,31,34)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Materials: Human neutrophil elastase was purchased from Calbiochem (Cat. No.: 324681) and the elastase substrate MeOSuc-Ala-Ala-Pro-Val-AMC from Bach...


US Patent US9657015 (2017)

More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM310062
PNG
(US9657015, Example 25 | US9657015, Example 30A)
Show SMILES CN1C(C2=C(CCNC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1-c1cnco1)C#N
Show InChI InChI=1S/C25H18F3N5O3/c1-32-22(17-6-5-14(11-29)9-18(17)20-12-30-13-36-20)21-19(7-8-31-23(21)34)33(24(32)35)16-4-2-3-15(10-16)25(26,27)28/h2-6,9-10,12-13,22H,7-8H2,1H3,(H,31,34)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Materials: Human neutrophil elastase was purchased from Calbiochem (Cat. No.: 324681) and the elastase substrate MeOSuc-Ala-Ala-Pro-Val-AMC from Bach...


US Patent US9657015 (2017)

More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM310071
PNG
(US9657015, Example 32A)
Show SMILES CN1[C@@H](C2=C(CCNC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1CO)C#N
Show InChI InChI=1S/C23H19F3N4O3/c1-29-20(17-6-5-13(11-27)9-14(17)12-31)19-18(7-8-28-21(19)32)30(22(29)33)16-4-2-3-15(10-16)23(24,25)26/h2-6,9-10,20,31H,7-8,12H2,1H3,(H,28,32)/t20-/m1/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Materials: Human neutrophil elastase was purchased from Calbiochem (Cat. No.: 324681) and the elastase substrate MeOSuc-Ala-Ala-Pro-Val-AMC from Bach...


US Patent US9657015 (2017)

More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM310075
PNG
(US9657015, Example 35)
Show SMILES CN1C(C2=C(CCNC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1-c1ccncn1)C#N
Show InChI InChI=1S/C26H19F3N6O2/c1-34-23(18-6-5-15(13-30)11-19(18)20-7-9-31-14-33-20)22-21(8-10-32-24(22)36)35(25(34)37)17-4-2-3-16(12-17)26(27,28)29/h2-7,9,11-12,14,23H,8,10H2,1H3,(H,32,36)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Materials: Human neutrophil elastase was purchased from Calbiochem (Cat. No.: 324681) and the elastase substrate MeOSuc-Ala-Ala-Pro-Val-AMC from Bach...


US Patent US9657015 (2017)

More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM310081
PNG
(US9657015, Example 38)
Show SMILES CN1CCC2=C(C(N(C)C(=O)N2c2cccc(c2)C(F)(F)F)c2ccc(cc2CO)C#N)C1=O
Show InChI InChI=1S/C24H21F3N4O3/c1-29-9-8-19-20(22(29)33)21(18-7-6-14(12-28)10-15(18)13-32)30(2)23(34)31(19)17-5-3-4-16(11-17)24(25,26)27/h3-7,10-11,21,32H,8-9,13H2,1-2H3
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Materials: Human neutrophil elastase was purchased from Calbiochem (Cat. No.: 324681) and the elastase substrate MeOSuc-Ala-Ala-Pro-Val-AMC from Bach...


US Patent US9657015 (2017)

More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM310082
PNG
(US9657015, Example 39 | US9657015, Example 39.1 | ...)
Show SMILES CN1CCC2=C(C(N(C)C(=O)N2c2cccc(c2)C(F)(F)F)c2ccc(cc2C(N)=O)C#N)C1=O
Show InChI InChI=1S/C24H20F3N5O3/c1-30-9-8-18-19(22(30)34)20(16-7-6-13(12-28)10-17(16)21(29)33)31(2)23(35)32(18)15-5-3-4-14(11-15)24(25,26)27/h3-7,10-11,20H,8-9H2,1-2H3,(H2,29,33)
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n/an/a<1n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Materials: Human neutrophil elastase was purchased from Calbiochem (Cat. No.: 324681) and the elastase substrate MeOSuc-Ala-Ala-Pro-Val-AMC from Bach...


US Patent US9657015 (2017)

More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM310086
PNG
(US9657015, Example 41)
Show SMILES CN1CCC2=C(C(N(C)C(=O)N2c2cccc(c2)C(F)(F)F)c2ccc(cc2-c2ccc(=O)n(C)n2)C#N)C1=O
Show InChI InChI=1S/C28H23F3N6O3/c1-34-12-11-22-24(26(34)39)25(35(2)27(40)37(22)18-6-4-5-17(14-18)28(29,30)31)19-8-7-16(15-32)13-20(19)21-9-10-23(38)36(3)33-21/h4-10,13-14,25H,11-12H2,1-3H3
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n/an/a<1n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Materials: Human neutrophil elastase was purchased from Calbiochem (Cat. No.: 324681) and the elastase substrate MeOSuc-Ala-Ala-Pro-Val-AMC from Bach...


US Patent US9657015 (2017)

More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM310019
PNG
(US9657015, Example 12 | US9657015, Example 12.1 | ...)
Show SMILES CNC(=O)CN1C(C2=C(CCNC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1)C#N
Show InChI InChI=1S/C24H20F3N5O3/c1-29-19(33)13-31-21(15-7-5-14(12-28)6-8-15)20-18(9-10-30-22(20)34)32(23(31)35)17-4-2-3-16(11-17)24(25,26)27/h2-8,11,21H,9-10,13H2,1H3,(H,29,33)(H,30,34)
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n/an/a<1n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Materials: Human neutrophil elastase was purchased from Calbiochem (Cat. No.: 324681) and the elastase substrate MeOSuc-Ala-Ala-Pro-Val-AMC from Bach...


US Patent US9657015 (2017)

More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM310019
PNG
(US9657015, Example 12 | US9657015, Example 12.1 | ...)
Show SMILES CNC(=O)CN1C(C2=C(CCNC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1)C#N
Show InChI InChI=1S/C24H20F3N5O3/c1-29-19(33)13-31-21(15-7-5-14(12-28)6-8-15)20-18(9-10-30-22(20)34)32(23(31)35)17-4-2-3-16(11-17)24(25,26)27/h2-8,11,21H,9-10,13H2,1H3,(H,29,33)(H,30,34)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Materials: Human neutrophil elastase was purchased from Calbiochem (Cat. No.: 324681) and the elastase substrate MeOSuc-Ala-Ala-Pro-Val-AMC from Bach...


US Patent US9657015 (2017)

More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM310061
PNG
(US9657015, Example 24)
Show SMILES Cn1cc(cn1)-c1cc(ccc1C1NC(=O)N(C2=C1C(=O)NCC2)c1cccc(c1)C(F)(F)F)C#N
Show InChI InChI=1S/C25H19F3N6O2/c1-33-13-15(12-31-33)19-9-14(11-29)5-6-18(19)22-21-20(7-8-30-23(21)35)34(24(36)32-22)17-4-2-3-16(10-17)25(26,27)28/h2-6,9-10,12-13,22H,7-8H2,1H3,(H,30,35)(H,32,36)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Materials: Human neutrophil elastase was purchased from Calbiochem (Cat. No.: 324681) and the elastase substrate MeOSuc-Ala-Ala-Pro-Val-AMC from Bach...


US Patent US9657015 (2017)

More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM310074
PNG
(US9657015, Example 34)
Show SMILES CN1C(C2=C(CCNC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1-c1cccnc1)C#N
Show InChI InChI=1S/C27H20F3N5O2/c1-34-24(20-8-7-16(14-31)12-21(20)17-4-3-10-32-15-17)23-22(9-11-33-25(23)36)35(26(34)37)19-6-2-5-18(13-19)27(28,29)30/h2-8,10,12-13,15,24H,9,11H2,1H3,(H,33,36)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Materials: Human neutrophil elastase was purchased from Calbiochem (Cat. No.: 324681) and the elastase substrate MeOSuc-Ala-Ala-Pro-Val-AMC from Bach...


US Patent US9657015 (2017)

More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM310082
PNG
(US9657015, Example 39 | US9657015, Example 39.1 | ...)
Show SMILES CN1CCC2=C(C(N(C)C(=O)N2c2cccc(c2)C(F)(F)F)c2ccc(cc2C(N)=O)C#N)C1=O
Show InChI InChI=1S/C24H20F3N5O3/c1-30-9-8-18-19(22(30)34)20(16-7-6-13(12-28)10-17(16)21(29)33)31(2)23(35)32(18)15-5-3-4-14(11-15)24(25,26)27/h3-7,10-11,20H,8-9H2,1-2H3,(H2,29,33)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Materials: Human neutrophil elastase was purchased from Calbiochem (Cat. No.: 324681) and the elastase substrate MeOSuc-Ala-Ala-Pro-Val-AMC from Bach...


US Patent US9657015 (2017)

More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM310076
PNG
(US9657015, Example 36 | US9657015, Example 36.1 | ...)
Show SMILES CN1CCC2=C(C(N(C)C(=O)N2c2cccc(c2)C(F)(F)F)c2ccc(cc2-c2cnn(C)c2)C#N)C1=O
Show InChI InChI=1S/C27H23F3N6O2/c1-33-10-9-22-23(25(33)37)24(20-8-7-16(13-31)11-21(20)17-14-32-34(2)15-17)35(3)26(38)36(22)19-6-4-5-18(12-19)27(28,29)30/h4-8,11-12,14-15,24H,9-10H2,1-3H3
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n/an/a 1.10n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Materials: Human neutrophil elastase was purchased from Calbiochem (Cat. No.: 324681) and the elastase substrate MeOSuc-Ala-Ala-Pro-Val-AMC from Bach...


US Patent US9657015 (2017)

More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM310019
PNG
(US9657015, Example 12 | US9657015, Example 12.1 | ...)
Show SMILES CNC(=O)CN1C(C2=C(CCNC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1)C#N
Show InChI InChI=1S/C24H20F3N5O3/c1-29-19(33)13-31-21(15-7-5-14(12-28)6-8-15)20-18(9-10-30-22(20)34)32(23(31)35)17-4-2-3-16(11-17)24(25,26)27/h2-8,11,21H,9-10,13H2,1H3,(H,29,33)(H,30,34)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Materials: Human neutrophil elastase was purchased from Calbiochem (Cat. No.: 324681) and the elastase substrate MeOSuc-Ala-Ala-Pro-Val-AMC from Bach...


US Patent US9657015 (2017)

More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM310013
PNG
(US9657015, Example 7)
Show SMILES CN1CCC2=C([C@H](N(C)C(=O)N2c2cccc(c2)C(F)(F)F)c2ccc(cc2)C#N)C1=O
Show InChI InChI=1S/C23H19F3N4O2/c1-28-11-10-18-19(21(28)31)20(15-8-6-14(13-27)7-9-15)29(2)22(32)30(18)17-5-3-4-16(12-17)23(24,25)26/h3-9,12,20H,10-11H2,1-2H3/t20-/m1/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Materials: Human neutrophil elastase was purchased from Calbiochem (Cat. No.: 324681) and the elastase substrate MeOSuc-Ala-Ala-Pro-Val-AMC from Bach...


US Patent US9657015 (2017)

More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM310020
PNG
(US9657015, Example 12A | US9657015, Example 12B)
Show SMILES CNC(=O)CN1[C@H](C2=C(CCNC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1)C#N
Show InChI InChI=1S/C24H20F3N5O3/c1-29-19(33)13-31-21(15-7-5-14(12-28)6-8-15)20-18(9-10-30-22(20)34)32(23(31)35)17-4-2-3-16(11-17)24(25,26)27/h2-8,11,21H,9-10,13H2,1H3,(H,29,33)(H,30,34)/t21-/m0/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Materials: Human neutrophil elastase was purchased from Calbiochem (Cat. No.: 324681) and the elastase substrate MeOSuc-Ala-Ala-Pro-Val-AMC from Bach...


US Patent US9657015 (2017)

More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM310009
PNG
(Enantiomers of Example 4 | US9657015, Example 4A)
Show SMILES CN1CCC2=C([C@H](NC(=O)N2c2cccc(c2)C(F)(F)F)c2ccc(cc2)C#N)C1=O
Show InChI InChI=1S/C22H17F3N4O2/c1-28-10-9-17-18(20(28)30)19(14-7-5-13(12-26)6-8-14)27-21(31)29(17)16-4-2-3-15(11-16)22(23,24)25/h2-8,11,19H,9-10H2,1H3,(H,27,31)/t19-/m1/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Materials: Human neutrophil elastase was purchased from Calbiochem (Cat. No.: 324681) and the elastase substrate MeOSuc-Ala-Ala-Pro-Val-AMC from Bach...


US Patent US9657015 (2017)

More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM310076
PNG
(US9657015, Example 36 | US9657015, Example 36.1 | ...)
Show SMILES CN1CCC2=C(C(N(C)C(=O)N2c2cccc(c2)C(F)(F)F)c2ccc(cc2-c2cnn(C)c2)C#N)C1=O
Show InChI InChI=1S/C27H23F3N6O2/c1-33-10-9-22-23(25(33)37)24(20-8-7-16(13-31)11-21(20)17-14-32-34(2)15-17)35(3)26(38)36(22)19-6-4-5-18(12-19)27(28,29)30/h4-8,11-12,14-15,24H,9-10H2,1-3H3
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Materials: Human neutrophil elastase was purchased from Calbiochem (Cat. No.: 324681) and the elastase substrate MeOSuc-Ala-Ala-Pro-Val-AMC from Bach...


US Patent US9657015 (2017)

More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM310076
PNG
(US9657015, Example 36 | US9657015, Example 36.1 | ...)
Show SMILES CN1CCC2=C(C(N(C)C(=O)N2c2cccc(c2)C(F)(F)F)c2ccc(cc2-c2cnn(C)c2)C#N)C1=O
Show InChI InChI=1S/C27H23F3N6O2/c1-33-10-9-22-23(25(33)37)24(20-8-7-16(13-31)11-21(20)17-14-32-34(2)15-17)35(3)26(38)36(22)19-6-4-5-18(12-19)27(28,29)30/h4-8,11-12,14-15,24H,9-10H2,1-3H3
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Materials: Human neutrophil elastase was purchased from Calbiochem (Cat. No.: 324681) and the elastase substrate MeOSuc-Ala-Ala-Pro-Val-AMC from Bach...


US Patent US9657015 (2017)

More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM310058
PNG
(US9657015, Example 21)
Show SMILES FC(F)(F)c1cccc(c1)N1C(=O)NC(C2=C1CCNC2=O)c1ccc(cc1Br)C#N
Show InChI InChI=1S/C21H14BrF3N4O2/c22-15-8-11(10-26)4-5-14(15)18-17-16(6-7-27-19(17)30)29(20(31)28-18)13-3-1-2-12(9-13)21(23,24)25/h1-5,8-9,18H,6-7H2,(H,27,30)(H,28,31)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Materials: Human neutrophil elastase was purchased from Calbiochem (Cat. No.: 324681) and the elastase substrate MeOSuc-Ala-Ala-Pro-Val-AMC from Bach...


US Patent US9657015 (2017)

More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM310011
PNG
(US9657015, Example 5)
Show SMILES CN1C(C2=C(CCNC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1)C#N
Show InChI InChI=1S/C22H17F3N4O2/c1-28-19(14-7-5-13(12-26)6-8-14)18-17(9-10-27-20(18)30)29(21(28)31)16-4-2-3-15(11-16)22(23,24)25/h2-8,11,19H,9-10H2,1H3,(H,27,30)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Materials: Human neutrophil elastase was purchased from Calbiochem (Cat. No.: 324681) and the elastase substrate MeOSuc-Ala-Ala-Pro-Val-AMC from Bach...


US Patent US9657015 (2017)

More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM310082
PNG
(US9657015, Example 39 | US9657015, Example 39.1 | ...)
Show SMILES CN1CCC2=C(C(N(C)C(=O)N2c2cccc(c2)C(F)(F)F)c2ccc(cc2C(N)=O)C#N)C1=O
Show InChI InChI=1S/C24H20F3N5O3/c1-30-9-8-18-19(22(30)34)20(16-7-6-13(12-28)10-17(16)21(29)33)31(2)23(35)32(18)15-5-3-4-14(11-15)24(25,26)27/h3-7,10-11,20H,8-9H2,1-2H3,(H2,29,33)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Materials: Human neutrophil elastase was purchased from Calbiochem (Cat. No.: 324681) and the elastase substrate MeOSuc-Ala-Ala-Pro-Val-AMC from Bach...


US Patent US9657015 (2017)

More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM310019
PNG
(US9657015, Example 12 | US9657015, Example 12.1 | ...)
Show SMILES CNC(=O)CN1C(C2=C(CCNC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1)C#N
Show InChI InChI=1S/C24H20F3N5O3/c1-29-19(33)13-31-21(15-7-5-14(12-28)6-8-15)20-18(9-10-30-22(20)34)32(23(31)35)17-4-2-3-16(11-17)24(25,26)27/h2-8,11,21H,9-10,13H2,1H3,(H,29,33)(H,30,34)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Materials: Human neutrophil elastase was purchased from Calbiochem (Cat. No.: 324681) and the elastase substrate MeOSuc-Ala-Ala-Pro-Val-AMC from Bach...


US Patent US9657015 (2017)

More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM310019
PNG
(US9657015, Example 12 | US9657015, Example 12.1 | ...)
Show SMILES CNC(=O)CN1C(C2=C(CCNC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1)C#N
Show InChI InChI=1S/C24H20F3N5O3/c1-29-19(33)13-31-21(15-7-5-14(12-28)6-8-15)20-18(9-10-30-22(20)34)32(23(31)35)17-4-2-3-16(11-17)24(25,26)27/h2-8,11,21H,9-10,13H2,1H3,(H,29,33)(H,30,34)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Materials: Human neutrophil elastase was purchased from Calbiochem (Cat. No.: 324681) and the elastase substrate MeOSuc-Ala-Ala-Pro-Val-AMC from Bach...


US Patent US9657015 (2017)

More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM310019
PNG
(US9657015, Example 12 | US9657015, Example 12.1 | ...)
Show SMILES CNC(=O)CN1C(C2=C(CCNC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1)C#N
Show InChI InChI=1S/C24H20F3N5O3/c1-29-19(33)13-31-21(15-7-5-14(12-28)6-8-15)20-18(9-10-30-22(20)34)32(23(31)35)17-4-2-3-16(11-17)24(25,26)27/h2-8,11,21H,9-10,13H2,1H3,(H,29,33)(H,30,34)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Materials: Human neutrophil elastase was purchased from Calbiochem (Cat. No.: 324681) and the elastase substrate MeOSuc-Ala-Ala-Pro-Val-AMC from Bach...


US Patent US9657015 (2017)

More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM310016
PNG
(US9657015, Example 9)
Show SMILES COC(=O)CN1C(C2=C(CCNC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1)C#N
Show InChI InChI=1S/C24H19F3N4O4/c1-35-19(32)13-30-21(15-7-5-14(12-28)6-8-15)20-18(9-10-29-22(20)33)31(23(30)34)17-4-2-3-16(11-17)24(25,26)27/h2-8,11,21H,9-10,13H2,1H3,(H,29,33)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Materials: Human neutrophil elastase was purchased from Calbiochem (Cat. No.: 324681) and the elastase substrate MeOSuc-Ala-Ala-Pro-Val-AMC from Bach...


US Patent US9657015 (2017)

More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM310019
PNG
(US9657015, Example 12 | US9657015, Example 12.1 | ...)
Show SMILES CNC(=O)CN1C(C2=C(CCNC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1)C#N
Show InChI InChI=1S/C24H20F3N5O3/c1-29-19(33)13-31-21(15-7-5-14(12-28)6-8-15)20-18(9-10-30-22(20)34)32(23(31)35)17-4-2-3-16(11-17)24(25,26)27/h2-8,11,21H,9-10,13H2,1H3,(H,29,33)(H,30,34)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Materials: Human neutrophil elastase was purchased from Calbiochem (Cat. No.: 324681) and the elastase substrate MeOSuc-Ala-Ala-Pro-Val-AMC from Bach...


US Patent US9657015 (2017)

More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM310017
PNG
(US9657015, Example 10)
Show SMILES OC(=O)CN1C(C2=C(CCNC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1)C#N
Show InChI InChI=1S/C23H17F3N4O4/c24-23(25,26)15-2-1-3-16(10-15)30-17-8-9-28-21(33)19(17)20(29(22(30)34)12-18(31)32)14-6-4-13(11-27)5-7-14/h1-7,10,20H,8-9,12H2,(H,28,33)(H,31,32)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Materials: Human neutrophil elastase was purchased from Calbiochem (Cat. No.: 324681) and the elastase substrate MeOSuc-Ala-Ala-Pro-Val-AMC from Bach...


US Patent US9657015 (2017)

More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM310046
PNG
(US9657015, Example 15 | US9657015, Example 15.1 | ...)
Show SMILES CNC(=O)CN1C(C2=C(CCN(C)C2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1)C#N
Show InChI InChI=1S/C25H22F3N5O3/c1-30-20(34)14-32-22(16-8-6-15(13-29)7-9-16)21-19(10-11-31(2)23(21)35)33(24(32)36)18-5-3-4-17(12-18)25(26,27)28/h3-9,12,22H,10-11,14H2,1-2H3,(H,30,34)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Materials: Human neutrophil elastase was purchased from Calbiochem (Cat. No.: 324681) and the elastase substrate MeOSuc-Ala-Ala-Pro-Val-AMC from Bach...


US Patent US9657015 (2017)

More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM310046
PNG
(US9657015, Example 15 | US9657015, Example 15.1 | ...)
Show SMILES CNC(=O)CN1C(C2=C(CCN(C)C2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1)C#N
Show InChI InChI=1S/C25H22F3N5O3/c1-30-20(34)14-32-22(16-8-6-15(13-29)7-9-16)21-19(10-11-31(2)23(21)35)33(24(32)36)18-5-3-4-17(12-18)25(26,27)28/h3-9,12,22H,10-11,14H2,1-2H3,(H,30,34)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Materials: Human neutrophil elastase was purchased from Calbiochem (Cat. No.: 324681) and the elastase substrate MeOSuc-Ala-Ala-Pro-Val-AMC from Bach...


US Patent US9657015 (2017)

More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM310045
PNG
(US9657015, Example 14)
Show SMILES CN1CCC2=C(C(N(CC(N)=O)C(=O)N2c2cccc(c2)C(F)(F)F)c2ccc(cc2)C#N)C1=O
Show InChI InChI=1S/C24H20F3N5O3/c1-30-10-9-18-20(22(30)34)21(15-7-5-14(12-28)6-8-15)31(13-19(29)33)23(35)32(18)17-4-2-3-16(11-17)24(25,26)27/h2-8,11,21H,9-10,13H2,1H3,(H2,29,33)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Materials: Human neutrophil elastase was purchased from Calbiochem (Cat. No.: 324681) and the elastase substrate MeOSuc-Ala-Ala-Pro-Val-AMC from Bach...


US Patent US9657015 (2017)

More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM310018
PNG
(US9657015, Example 11)
Show SMILES NC(=O)CN1C(C2=C(CCNC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1)C#N
Show InChI InChI=1S/C23H18F3N5O3/c24-23(25,26)15-2-1-3-16(10-15)31-17-8-9-29-21(33)19(17)20(30(22(31)34)12-18(28)32)14-6-4-13(11-27)5-7-14/h1-7,10,20H,8-9,12H2,(H2,28,32)(H,29,33)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Materials: Human neutrophil elastase was purchased from Calbiochem (Cat. No.: 324681) and the elastase substrate MeOSuc-Ala-Ala-Pro-Val-AMC from Bach...


US Patent US9657015 (2017)

More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM310001
PNG
(US9657015, Example 1A)
Show SMILES FC(F)(F)c1cccc(c1)N1C(=O)N[C@@H](C2=C1CCNC2=O)c1ccc(cc1)C#N
Show InChI InChI=1S/C21H15F3N4O2/c22-21(23,24)14-2-1-3-15(10-14)28-16-8-9-26-19(29)17(16)18(27-20(28)30)13-6-4-12(11-25)5-7-13/h1-7,10,18H,8-9H2,(H,26,29)(H,27,30)/t18-/m1/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Materials: Human neutrophil elastase was purchased from Calbiochem (Cat. No.: 324681) and the elastase substrate MeOSuc-Ala-Ala-Pro-Val-AMC from Bach...


US Patent US9657015 (2017)

More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM310046
PNG
(US9657015, Example 15 | US9657015, Example 15.1 | ...)
Show SMILES CNC(=O)CN1C(C2=C(CCN(C)C2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1)C#N
Show InChI InChI=1S/C25H22F3N5O3/c1-30-20(34)14-32-22(16-8-6-15(13-29)7-9-16)21-19(10-11-31(2)23(21)35)33(24(32)36)18-5-3-4-17(12-18)25(26,27)28/h3-9,12,22H,10-11,14H2,1-2H3,(H,30,34)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Materials: Human neutrophil elastase was purchased from Calbiochem (Cat. No.: 324681) and the elastase substrate MeOSuc-Ala-Ala-Pro-Val-AMC from Bach...


US Patent US9657015 (2017)

More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM310004
PNG
(BDBM310006 | US9657015, Example 2A)
Show SMILES FC(F)c1cccc(c1)N1C(=O)N[C@H](C2=C1CCNC2=O)c1ccc(cc1)C#N
Show InChI InChI=1S/C21H16F2N4O2/c22-19(23)14-2-1-3-15(10-14)27-16-8-9-25-20(28)17(16)18(26-21(27)29)13-6-4-12(11-24)5-7-13/h1-7,10,18-19H,8-9H2,(H,25,28)(H,26,29)/t18-/m0/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Materials: Human neutrophil elastase was purchased from Calbiochem (Cat. No.: 324681) and the elastase substrate MeOSuc-Ala-Ala-Pro-Val-AMC from Bach...


US Patent US9657015 (2017)

More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM310057
PNG
(US9657015, Example 20)
Show SMILES OCCCNC(=O)N1CCC2=C(C(NC(=O)N2c2cccc(c2)C(F)(F)F)c2ccc(cc2)C#N)C1=O
Show InChI InChI=1S/C25H22F3N5O4/c26-25(27,28)17-3-1-4-18(13-17)33-19-9-11-32(23(36)30-10-2-12-34)22(35)20(19)21(31-24(33)37)16-7-5-15(14-29)6-8-16/h1,3-8,13,21,34H,2,9-12H2,(H,30,36)(H,31,37)
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n/an/a 3.70n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Materials: Human neutrophil elastase was purchased from Calbiochem (Cat. No.: 324681) and the elastase substrate MeOSuc-Ala-Ala-Pro-Val-AMC from Bach...


US Patent US9657015 (2017)

More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM310054
PNG
(BDBM310055 | US9657015, Example 17)
Show SMILES OCCNC(=O)N1CCC2=C(C(NC(=O)N2c2cccc(c2)C(F)(F)F)c2ccc(cc2)C#N)C1=O
Show InChI InChI=1S/C24H20F3N5O4/c25-24(26,27)16-2-1-3-17(12-16)32-18-8-10-31(22(35)29-9-11-33)21(34)19(18)20(30-23(32)36)15-6-4-14(13-28)5-7-15/h1-7,12,20,33H,8-11H2,(H,29,35)(H,30,36)
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n/an/a 3.80n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Materials: Human neutrophil elastase was purchased from Calbiochem (Cat. No.: 324681) and the elastase substrate MeOSuc-Ala-Ala-Pro-Val-AMC from Bach...


US Patent US9657015 (2017)

More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM310044
PNG
(US9657015, Example 13)
Show SMILES CC1(C)CC2=C(C(N(CC(O)=O)C(=O)N2c2cccc(c2)C(F)(F)F)c2ccc(cc2)C#N)C(=O)N1
Show InChI InChI=1S/C25H21F3N4O4/c1-24(2)11-18-20(22(35)30-24)21(15-8-6-14(12-29)7-9-15)31(13-19(33)34)23(36)32(18)17-5-3-4-16(10-17)25(26,27)28/h3-10,21H,11,13H2,1-2H3,(H,30,35)(H,33,34)
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n/an/a 4.30n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Materials: Human neutrophil elastase was purchased from Calbiochem (Cat. No.: 324681) and the elastase substrate MeOSuc-Ala-Ala-Pro-Val-AMC from Bach...


US Patent US9657015 (2017)

More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM310056
PNG
(US9657015, Example 19)
Show SMILES CCNC(=O)N1CCC2=C(C(NC(=O)N2c2cccc(c2)C(F)(F)F)c2ccc(cc2)C#N)C1=O
Show InChI InChI=1S/C24H20F3N5O3/c1-2-29-22(34)31-11-10-18-19(21(31)33)20(15-8-6-14(13-28)7-9-15)30-23(35)32(18)17-5-3-4-16(12-17)24(25,26)27/h3-9,12,20H,2,10-11H2,1H3,(H,29,34)(H,30,35)
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n/an/a 4.90n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Materials: Human neutrophil elastase was purchased from Calbiochem (Cat. No.: 324681) and the elastase substrate MeOSuc-Ala-Ala-Pro-Val-AMC from Bach...


US Patent US9657015 (2017)

More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM309998
PNG
(US9657015, Example 1)
Show SMILES FC(F)(F)c1cccc(c1)N1C(=O)NC(C2=C1CCNC2=O)c1ccc(cc1)C#N
Show InChI InChI=1S/C21H15F3N4O2/c22-21(23,24)14-2-1-3-15(10-14)28-16-8-9-26-19(29)17(16)18(27-20(28)30)13-6-4-12(11-25)5-7-13/h1-7,10,18H,8-9H2,(H,26,29)(H,27,30)
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n/an/a 5.70n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Materials: Human neutrophil elastase was purchased from Calbiochem (Cat. No.: 324681) and the elastase substrate MeOSuc-Ala-Ala-Pro-Val-AMC from Bach...


US Patent US9657015 (2017)

More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM310008
PNG
(US9657015, Example 4)
Show SMILES CN1CCC2=C(C(NC(=O)N2c2cccc(c2)C(F)(F)F)c2ccc(cc2)C#N)C1=O
Show InChI InChI=1S/C22H17F3N4O2/c1-28-10-9-17-18(20(28)30)19(14-7-5-13(12-26)6-8-14)27-21(31)29(17)16-4-2-3-15(11-16)22(23,24)25/h2-8,11,19H,9-10H2,1H3,(H,27,31)
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n/an/a 5.80n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Materials: Human neutrophil elastase was purchased from Calbiochem (Cat. No.: 324681) and the elastase substrate MeOSuc-Ala-Ala-Pro-Val-AMC from Bach...


US Patent US9657015 (2017)

More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM310003
PNG
(US9657015, Example 2)
Show SMILES FC(F)c1cccc(c1)N1C(=O)NC(C2=C1CCNC2=O)c1ccc(cc1)C#N
Show InChI InChI=1S/C21H16F2N4O2/c22-19(23)14-2-1-3-15(10-14)27-16-8-9-25-20(28)17(16)18(26-21(27)29)13-6-4-12(11-24)5-7-13/h1-7,10,18-19H,8-9H2,(H,25,28)(H,26,29)
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n/an/a 6.90n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Materials: Human neutrophil elastase was purchased from Calbiochem (Cat. No.: 324681) and the elastase substrate MeOSuc-Ala-Ala-Pro-Val-AMC from Bach...


US Patent US9657015 (2017)

More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM310007
PNG
(US9657015, Example 3)
Show SMILES CC1(C)CC2=C(C(NC(=O)N2c2cccc(c2)C(F)(F)F)c2ccc(cc2)C#N)C(=O)N1
Show InChI InChI=1S/C23H19F3N4O2/c1-22(2)11-17-18(20(31)29-22)19(14-8-6-13(12-27)7-9-14)28-21(32)30(17)16-5-3-4-15(10-16)23(24,25)26/h3-10,19H,11H2,1-2H3,(H,28,32)(H,29,31)
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n/an/a 9.80n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Materials: Human neutrophil elastase was purchased from Calbiochem (Cat. No.: 324681) and the elastase substrate MeOSuc-Ala-Ala-Pro-Val-AMC from Bach...


US Patent US9657015 (2017)

More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM310068
PNG
(US9657015, Example 30B)
Show SMILES CN1[C@H](C2=C(CCNC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1-c1cnco1)C#N
Show InChI InChI=1S/C25H18F3N5O3/c1-32-22(17-6-5-14(11-29)9-18(17)20-12-30-13-36-20)21-19(7-8-31-23(21)34)33(24(32)35)16-4-2-3-15(10-16)25(26,27)28/h2-6,9-10,12-13,22H,7-8H2,1H3,(H,31,34)/t22-/m0/s1
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n/an/a 12n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Materials: Human neutrophil elastase was purchased from Calbiochem (Cat. No.: 324681) and the elastase substrate MeOSuc-Ala-Ala-Pro-Val-AMC from Bach...


US Patent US9657015 (2017)

More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM310070
PNG
(US9657015, Example 31B)
Show SMILES CN1[C@H](C2=C(CCNC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1-c1cnn(C)c1)C#N
Show InChI InChI=1S/C26H21F3N6O2/c1-33-14-16(13-32-33)20-10-15(12-30)6-7-19(20)23-22-21(8-9-31-24(22)36)35(25(37)34(23)2)18-5-3-4-17(11-18)26(27,28)29/h3-7,10-11,13-14,23H,8-9H2,1-2H3,(H,31,36)/t23-/m0/s1
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n/an/a 17n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Materials: Human neutrophil elastase was purchased from Calbiochem (Cat. No.: 324681) and the elastase substrate MeOSuc-Ala-Ala-Pro-Val-AMC from Bach...


US Patent US9657015 (2017)

More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM310015
PNG
(US9657015, Example 8B)
Show SMILES CN1[C@H](C2=C(CCNC2=O)N(C1=O)c1cccc(c1)C(F)F)c1ccc(cc1)C#N
Show InChI InChI=1S/C22H18F2N4O2/c1-27-19(14-7-5-13(12-25)6-8-14)18-17(9-10-26-21(18)29)28(22(27)30)16-4-2-3-15(11-16)20(23)24/h2-8,11,19-20H,9-10H2,1H3,(H,26,29)/t19-/m0/s1
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n/an/a 36n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Materials: Human neutrophil elastase was purchased from Calbiochem (Cat. No.: 324681) and the elastase substrate MeOSuc-Ala-Ala-Pro-Val-AMC from Bach...


US Patent US9657015 (2017)

More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM310072
PNG
(US9657015, Example 32B)
Show SMILES CN1[C@H](C2=C(CCNC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1CO)C#N
Show InChI InChI=1S/C23H19F3N4O3/c1-29-20(17-6-5-13(11-27)9-14(17)12-31)19-18(7-8-28-21(19)32)30(22(29)33)16-4-2-3-15(10-16)23(24,25)26/h2-6,9-10,20,31H,7-8,12H2,1H3,(H,28,32)/t20-/m0/s1
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n/an/a 39n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Materials: Human neutrophil elastase was purchased from Calbiochem (Cat. No.: 324681) and the elastase substrate MeOSuc-Ala-Ala-Pro-Val-AMC from Bach...


US Patent US9657015 (2017)

More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM310020
PNG
(US9657015, Example 12A | US9657015, Example 12B)
Show SMILES CNC(=O)CN1[C@H](C2=C(CCNC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1)C#N
Show InChI InChI=1S/C24H20F3N5O3/c1-29-19(33)13-31-21(15-7-5-14(12-28)6-8-15)20-18(9-10-30-22(20)34)32(23(31)35)17-4-2-3-16(11-17)24(25,26)27/h2-8,11,21H,9-10,13H2,1H3,(H,29,33)(H,30,34)/t21-/m0/s1
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n/an/a 100n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Materials: Human neutrophil elastase was purchased from Calbiochem (Cat. No.: 324681) and the elastase substrate MeOSuc-Ala-Ala-Pro-Val-AMC from Bach...


US Patent US9657015 (2017)

More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM310010
PNG
(Enantiomers of Example 4 | US9657015, Example 4B)
Show SMILES CN1CCC2=C([C@@H](NC(=O)N2c2cccc(c2)C(F)(F)F)c2ccc(cc2)C#N)C1=O
Show InChI InChI=1S/C22H17F3N4O2/c1-28-10-9-17-18(20(28)30)19(14-7-5-13(12-26)6-8-14)27-21(31)29(17)16-4-2-3-15(11-16)22(23,24)25/h2-8,11,19H,9-10H2,1H3,(H,27,31)/t19-/m0/s1
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n/an/a 450n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Materials: Human neutrophil elastase was purchased from Calbiochem (Cat. No.: 324681) and the elastase substrate MeOSuc-Ala-Ala-Pro-Val-AMC from Bach...


US Patent US9657015 (2017)

More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM310002
PNG
(US9657015, Example 1B)
Show SMILES FC(F)(F)c1cccc(c1)N1C(=O)N[C@H](C2=C1CCNC2=O)c1ccc(cc1)C#N
Show InChI InChI=1S/C21H15F3N4O2/c22-21(23,24)14-2-1-3-15(10-14)28-16-8-9-26-19(29)17(16)18(27-20(28)30)13-6-4-12(11-25)5-7-13/h1-7,10,18H,8-9H2,(H,26,29)(H,27,30)/t18-/m0/s1
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n/an/a 940n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Materials: Human neutrophil elastase was purchased from Calbiochem (Cat. No.: 324681) and the elastase substrate MeOSuc-Ala-Ala-Pro-Val-AMC from Bach...


US Patent US9657015 (2017)

More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM310004
PNG
(BDBM310006 | US9657015, Example 2A)
Show SMILES FC(F)c1cccc(c1)N1C(=O)N[C@H](C2=C1CCNC2=O)c1ccc(cc1)C#N
Show InChI InChI=1S/C21H16F2N4O2/c22-19(23)14-2-1-3-15(10-14)27-16-8-9-25-20(28)17(16)18(26-21(27)29)13-6-4-12(11-24)5-7-13/h1-7,10,18-19H,8-9H2,(H,25,28)(H,26,29)/t18-/m0/s1
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n/an/a 1.00E+4n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Materials: Human neutrophil elastase was purchased from Calbiochem (Cat. No.: 324681) and the elastase substrate MeOSuc-Ala-Ala-Pro-Val-AMC from Bach...


US Patent US9657015 (2017)

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