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Compile Data Set for Download or QSAR

Found 63 hits of ec50 data for polymerid = 50003831,5023,5023   
Target
(Institution)
LigandTarget
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))
BDBM211935
PNG
(US9290459, 52.5)
Show SMILES CC(C)(O)CNC(=O)N1C(C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)F)c1ccc(cc1)C#N
Show InChI InChI=1/C26H24F2N4O4/c1-26(2,36)14-30-24(34)32-22(16-8-6-15(13-29)7-9-16)21-19(10-11-20(21)33)31(25(32)35)18-5-3-4-17(12-18)23(27)28/h3-9,12,22-23,36H,10-11,14H2,1-2H3,(H,30,34)
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n/an/an/an/a 1n/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Various concentrations of the neutrophil elastase inhibitor are incubated with plasma. Subsequently, the enzyme activity is measured using the fluoro...


US Patent US9290459 (2016)

More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM211822
PNG
(US9290459, 33)
Show SMILES COC(=O)N1[C@@H](C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1S(C)(=O)=O)C#N
Show InChI InChI=1/C24H18F3N3O6S/c1-36-23(33)30-21(16-7-6-13(12-28)10-19(16)37(2,34)35)20-17(8-9-18(20)31)29(22(30)32)15-5-3-4-14(11-15)24(25,26)27/h3-7,10-11,21H,8-9H2,1-2H3/t21-/s2
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n/an/an/an/a<1n/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Various concentrations of the neutrophil elastase inhibitor are incubated with plasma. Subsequently, the enzyme activity is measured using the fluoro...


US Patent US9290459 (2016)

More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM211942
PNG
(US9290459, 54.2)
Show SMILES CCNC(=O)N1C(C2=C(CCC2=O)N(C1=O)c1ccnc(c1)C(F)(F)F)c1ccc(cc1)C#N
Show InChI InChI=1/C23H18F3N5O3/c1-2-28-21(33)31-20(14-5-3-13(12-27)4-6-14)19-16(7-8-17(19)32)30(22(31)34)15-9-10-29-18(11-15)23(24,25)26/h3-6,9-11,20H,2,7-8H2,1H3,(H,28,33)
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n/an/an/an/a<1n/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Various concentrations of the neutrophil elastase inhibitor are incubated with plasma. Subsequently, the enzyme activity is measured using the fluoro...


US Patent US9290459 (2016)

More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM211884
PNG
(US9290459, 45.5)
Show SMILES O[C@H]1COC[C@@H]1NC(=O)N1[C@@H](C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1)C#N
Show InChI InChI=1/C26H21F3N4O5/c27-26(28,29)16-2-1-3-17(10-16)32-19-8-9-20(34)22(19)23(15-6-4-14(11-30)5-7-15)33(25(32)37)24(36)31-18-12-38-13-21(18)35/h1-7,10,18,21,23,35H,8-9,12-13H2,(H,31,36)/t18-,21-,23+/s2
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n/an/an/an/a<1n/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Various concentrations of the neutrophil elastase inhibitor are incubated with plasma. Subsequently, the enzyme activity is measured using the fluoro...


US Patent US9290459 (2016)

More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM211939
PNG
(US9290459, 53.4)
Show SMILES CC(C)NC(=O)N1C(C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)F)c1ccc(cc1S(C)(=O)=O)C#N
Show InChI InChI=1/C26H24F2N4O5S/c1-14(2)30-25(34)32-23(18-8-7-15(13-29)11-21(18)38(3,36)37)22-19(9-10-20(22)33)31(26(32)35)17-6-4-5-16(12-17)24(27)28/h4-8,11-12,14,23-24H,9-10H2,1-3H3,(H,30,34)
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n/an/an/an/a<1n/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Various concentrations of the neutrophil elastase inhibitor are incubated with plasma. Subsequently, the enzyme activity is measured using the fluoro...


US Patent US9290459 (2016)

More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM211938
PNG
(US9290459, 53.3)
Show SMILES CS(=O)(=O)c1cc(ccc1C1N(C(=O)NC2CC2)C(=O)N(C2=C1C(=O)CC2)c1cccc(c1)C(F)F)C#N
Show InChI InChI=1/C26H22F2N4O5S/c1-38(36,37)21-11-14(13-29)5-8-18(21)23-22-19(9-10-20(22)33)31(17-4-2-3-15(12-17)24(27)28)26(35)32(23)25(34)30-16-6-7-16/h2-5,8,11-12,16,23-24H,6-7,9-10H2,1H3,(H,30,34)
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n/an/an/an/a<1n/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Various concentrations of the neutrophil elastase inhibitor are incubated with plasma. Subsequently, the enzyme activity is measured using the fluoro...


US Patent US9290459 (2016)

More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50120438
PNG
(CHEMBL3617974 | US9290459, 23)
Show SMILES CS(=O)(=O)c1cc(ccc1[C@H]1N(CC#N)C(=O)N(C2=C1C(=O)CC2)c1cccc(c1)C(F)(F)F)C#N
Show InChI InChI=1/C24H17F3N4O4S/c1-36(34,35)20-11-14(13-29)5-6-17(20)22-21-18(7-8-19(21)32)31(23(33)30(22)10-9-28)16-4-2-3-15(12-16)24(25,26)27/h2-6,11-12,22H,7-8,10H2,1H3/t22-/s2
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n/an/an/an/a<1n/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Various concentrations of the neutrophil elastase inhibitor are incubated with plasma. Subsequently, the enzyme activity is measured using the fluoro...


US Patent US9290459 (2016)

More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM211812
PNG
(US9290459, 29)
Show SMILES CN1C(C2=C(CCC2=O)N(C1=O)c1ccnc(c1)C(F)(F)F)c1ccc(cc1S(C)(=O)=O)C#N
Show InChI InChI=1/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
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n/an/an/an/a 1n/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Various concentrations of the neutrophil elastase inhibitor are incubated with plasma. Subsequently, the enzyme activity is measured using the fluoro...


US Patent US9290459 (2016)

More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM211763
PNG
(US9290459, 14A)
Show SMILES CCS(=O)(=O)c1cc(ccc1[C@H]1NC(=O)N(C2=C1C(=O)CC2)c1cccc(c1)C(F)(F)F)C#N
Show InChI InChI=1/C23H18F3N3O4S/c1-2-34(32,33)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-/s2
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n/an/an/an/a 1n/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Various concentrations of the neutrophil elastase inhibitor are incubated with plasma. Subsequently, the enzyme activity is measured using the fluoro...


US Patent US9290459 (2016)

More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM211889
PNG
(US9290459, 47.4)
Show SMILES CS(=O)(=O)c1cc(ccc1[C@H]1N(C(=O)NC2CC2)C(=O)N(C2=C1C(=O)CC2)c1cccc(c1)C(F)(F)F)C#N
Show InChI InChI=1/C26H21F3N4O5S/c1-39(37,38)21-11-14(13-30)5-8-18(21)23-22-19(9-10-20(22)34)32(17-4-2-3-15(12-17)26(27,28)29)25(36)33(23)24(35)31-16-6-7-16/h2-5,8,11-12,16,23H,6-7,9-10H2,1H3,(H,31,35)/t23-/s2
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n/an/an/an/a<1n/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Various concentrations of the neutrophil elastase inhibitor are incubated with plasma. Subsequently, the enzyme activity is measured using the fluoro...


US Patent US9290459 (2016)

More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM211890
PNG
(US9290459, 47.5)
Show SMILES CC(C)NC(=O)N1[C@@H](C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1S(C)(=O)=O)C#N
Show InChI InChI=1/C26H23F3N4O5S/c1-14(2)31-24(35)33-23(18-8-7-15(13-30)11-21(18)39(3,37)38)22-19(9-10-20(22)34)32(25(33)36)17-6-4-5-16(12-17)26(27,28)29/h4-8,11-12,14,23H,9-10H2,1-3H3,(H,31,35)/t23-/s2
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n/an/an/an/a 1n/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Various concentrations of the neutrophil elastase inhibitor are incubated with plasma. Subsequently, the enzyme activity is measured using the fluoro...


US Patent US9290459 (2016)

More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM211875
PNG
(US9290459, 42.6)
Show SMILES O[C@@H]1COC[C@@H]1NC(=O)N1C(C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1)C#N
Show InChI InChI=1/C26H21F3N4O5/c27-26(28,29)16-2-1-3-17(10-16)32-19-8-9-20(34)22(19)23(15-6-4-14(11-30)5-7-15)33(25(32)37)24(36)31-18-12-38-13-21(18)35/h1-7,10,18,21,23,35H,8-9,12-13H2,(H,31,36)/t18-,21+,23?/s2
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n/an/an/an/a 1n/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Various concentrations of the neutrophil elastase inhibitor are incubated with plasma. Subsequently, the enzyme activity is measured using the fluoro...


US Patent US9290459 (2016)

More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM211813
PNG
(US9290459, 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=1/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?/s2
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n/an/an/an/a 1n/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Various concentrations of the neutrophil elastase inhibitor are incubated with plasma. Subsequently, the enzyme activity is measured using the fluoro...


US Patent US9290459 (2016)

More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM211929
PNG
(US9290459, 52A)
Show SMILES OCCCNC(=O)N1[C@@H](C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)F)c1ccc(cc1)C#N
Show InChI InChI=1/C25H22F2N4O4/c26-23(27)17-3-1-4-18(13-17)30-19-9-10-20(33)21(19)22(16-7-5-15(14-28)6-8-16)31(25(30)35)24(34)29-11-2-12-32/h1,3-8,13,22-23,32H,2,9-12H2,(H,29,34)/t22-/s2
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n/an/an/an/a<1n/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Various concentrations of the neutrophil elastase inhibitor are incubated with plasma. Subsequently, the enzyme activity is measured using the fluoro...


US Patent US9290459 (2016)

More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM211886
PNG
(US9290459, 46)
Show SMILES FC(F)(F)c1cccc(c1)N1C2=C([C@H](N(C(=O)NC3CCS(=N)(=O)CC3)C1=O)c1ccc(cc1)C#N)C(=O)CC2
Show InChI InChI=1/C27H24F3N5O4S/c28-27(29,30)18-2-1-3-20(14-18)34-21-8-9-22(36)23(21)24(17-6-4-16(15-31)5-7-17)35(26(34)38)25(37)33-19-10-12-40(32,39)13-11-19/h1-7,14,19,24,32H,8-13H2,(H,33,37)/t19?,24-,40?/s2
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n/an/an/an/a 1n/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Various concentrations of the neutrophil elastase inhibitor are incubated with plasma. Subsequently, the enzyme activity is measured using the fluoro...


US Patent US9290459 (2016)

More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM211836
PNG
(US9290459, 41A)
Show SMILES CC(C)(O)CNC(=O)N1[C@@H](C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1)C#N
Show InChI InChI=1/C26H23F3N4O4/c1-25(2,37)14-31-23(35)33-22(16-8-6-15(13-30)7-9-16)21-19(10-11-20(21)34)32(24(33)36)18-5-3-4-17(12-18)26(27,28)29/h3-9,12,22,37H,10-11,14H2,1-2H3,(H,31,35)/t22-/s2
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n/an/an/an/a<1n/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Various concentrations of the neutrophil elastase inhibitor are incubated with plasma. Subsequently, the enzyme activity is measured using the fluoro...


US Patent US9290459 (2016)

More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50120439
PNG
(CHEMBL3617975 | US9290459, 47.1)
Show SMILES CNC(=O)N1[C@@H](C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1S(C)(=O)=O)C#N
Show InChI InChI=1/C24H19F3N4O5S/c1-29-22(33)31-21(16-7-6-13(12-28)10-19(16)37(2,35)36)20-17(8-9-18(20)32)30(23(31)34)15-5-3-4-14(11-15)24(25,26)27/h3-7,10-11,21H,8-9H2,1-2H3,(H,29,33)/t21-/s2
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n/an/an/an/a<1n/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Various concentrations of the neutrophil elastase inhibitor are incubated with plasma. Subsequently, the enzyme activity is measured using the fluoro...


US Patent US9290459 (2016)

More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM211887
PNG
(US9290459, 47.2)
Show SMILES CCNC(=O)N1[C@@H](C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1S(C)(=O)=O)C#N
Show InChI InChI=1/C25H21F3N4O5S/c1-3-30-23(34)32-22(17-8-7-14(13-29)11-20(17)38(2,36)37)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)/t22-/s2
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n/an/an/an/a<1n/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Various concentrations of the neutrophil elastase inhibitor are incubated with plasma. Subsequently, the enzyme activity is measured using the fluoro...


US Patent US9290459 (2016)

More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50032890
PNG
(CHEMBL3342780)
Show SMILES CS(=O)(=O)c1cc(ccc1C1N(C(=O)N2CC2)C(=O)N(C2=C1C(=O)CC2)c1cccc(c1)C(F)F)C#N
Show InChI InChI=1/C25H20F2N4O5S/c1-37(35,36)20-11-14(13-28)5-6-17(20)22-21-18(7-8-19(21)32)30(16-4-2-3-15(12-16)23(26)27)25(34)31(22)24(33)29-9-10-29/h2-6,11-12,22-23H,7-10H2,1H3
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PubMed
n/an/an/an/a<1n/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of neutrophil elastase in human plasma using MeOSuc-Ala-Ala-Pro-Val-AMC as substrate by fluorescence assay


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


(Homo sapiens (Human))
BDBM211786
PNG
(US9290459, 22.4)
Show SMILES CS(=O)(=O)c1cc(ccc1C1N(CC(=O)N2CC3CC3C2)C(=O)N(C2=C1C(=O)CC2)c1cccc(c1)C(F)(F)F)C#N
Show InChI InChI=1/C29H25F3N4O5S/c1-42(40,41)24-9-16(12-33)5-6-21(24)27-26-22(7-8-23(26)37)36(20-4-2-3-19(11-20)29(30,31)32)28(39)35(27)15-25(38)34-13-17-10-18(17)14-34/h2-6,9,11,17-18,27H,7-8,10,13-15H2,1H3
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n/an/an/an/a<1n/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Various concentrations of the neutrophil elastase inhibitor are incubated with plasma. Subsequently, the enzyme activity is measured using the fluoro...


US Patent US9290459 (2016)

More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM211741
PNG
(US9290459, 7.5)
Show SMILES CN(C)CCNC(=O)N1C(C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1)C#N
Show InChI InChI=1/C26H24F3N5O3/c1-32(2)13-12-31-24(36)34-23(17-8-6-16(15-30)7-9-17)22-20(10-11-21(22)35)33(25(34)37)19-5-3-4-18(14-19)26(27,28)29/h3-9,14,23H,10-13H2,1-2H3,(H,31,36)
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n/an/an/an/a 1n/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Various concentrations of the neutrophil elastase inhibitor are incubated with plasma. Subsequently, the enzyme activity is measured using the fluoro...


US Patent US9290459 (2016)

More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM211742
PNG
(US9290459, 7.6)
Show SMILES CS(=O)CCNC(=O)N1C(C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1)C#N
Show InChI InChI=1/C25H21F3N4O4S/c1-37(36)12-11-30-23(34)32-22(16-7-5-15(14-29)6-8-16)21-19(9-10-20(21)33)31(24(32)35)18-4-2-3-17(13-18)25(26,27)28/h2-8,13,22H,9-12H2,1H3,(H,30,34)
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n/an/an/an/a 1n/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Various concentrations of the neutrophil elastase inhibitor are incubated with plasma. Subsequently, the enzyme activity is measured using the fluoro...


US Patent US9290459 (2016)

More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM211745
PNG
(US9290459, 7.9)
Show SMILES CN1CC(CC1=O)NC(=O)N1C(C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1)C#N
Show InChI InChI=1/C27H22F3N5O4/c1-33-14-18(12-22(33)37)32-25(38)35-24(16-7-5-15(13-31)6-8-16)23-20(9-10-21(23)36)34(26(35)39)19-4-2-3-17(11-19)27(28,29)30/h2-8,11,18,24H,9-10,12,14H2,1H3,(H,32,38)
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n/an/an/an/a 1n/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Various concentrations of the neutrophil elastase inhibitor are incubated with plasma. Subsequently, the enzyme activity is measured using the fluoro...


US Patent US9290459 (2016)

More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM211750
PNG
(US9290459, 7.2A)
Show SMILES OCCNC(=O)N1[C@@H](C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1)C#N
Show InChI InChI=1/C24H19F3N4O4/c25-24(26,27)16-2-1-3-17(12-16)30-18-8-9-19(33)20(18)21(15-6-4-14(13-28)5-7-15)31(23(30)35)22(34)29-10-11-32/h1-7,12,21,32H,8-11H2,(H,29,34)/t21-/s2
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n/an/an/an/a 1n/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Various concentrations of the neutrophil elastase inhibitor are incubated with plasma. Subsequently, the enzyme activity is measured using the fluoro...


US Patent US9290459 (2016)

More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM211782
PNG
(US9290459, 21)
Show SMILES CN(CCO)C(=O)CN1C(C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1S(C)(=O)=O)C#N
Show InChI InChI=1/C27H25F3N4O6S/c1-32(10-11-35)23(37)15-33-25(19-7-6-16(14-31)12-22(19)41(2,39)40)24-20(8-9-21(24)36)34(26(33)38)18-5-3-4-17(13-18)27(28,29)30/h3-7,12-13,25,35H,8-11,15H2,1-2H3
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n/an/an/an/a 1n/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Various concentrations of the neutrophil elastase inhibitor are incubated with plasma. Subsequently, the enzyme activity is measured using the fluoro...


US Patent US9290459 (2016)

More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM211931
PNG
(US9290459, 52.1)
Show SMILES CNC(=O)N1C(C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)F)c1ccc(cc1)C#N
Show InChI InChI=1/C23H18F2N4O3/c1-27-22(31)29-20(14-7-5-13(12-26)6-8-14)19-17(9-10-18(19)30)28(23(29)32)16-4-2-3-15(11-16)21(24)25/h2-8,11,20-21H,9-10H2,1H3,(H,27,31)
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n/an/an/an/a<1n/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Various concentrations of the neutrophil elastase inhibitor are incubated with plasma. Subsequently, the enzyme activity is measured using the fluoro...


US Patent US9290459 (2016)

More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM211933
PNG
(US9290459, 52.3)
Show SMILES OCCNC(=O)N1C(C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)F)c1ccc(cc1)C#N
Show InChI InChI=1/C24H20F2N4O4/c25-22(26)16-2-1-3-17(12-16)29-18-8-9-19(32)20(18)21(15-6-4-14(13-27)5-7-15)30(24(29)34)23(33)28-10-11-31/h1-7,12,21-22,31H,8-11H2,(H,28,33)
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n/an/an/an/a<1n/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Various concentrations of the neutrophil elastase inhibitor are incubated with plasma. Subsequently, the enzyme activity is measured using the fluoro...


US Patent US9290459 (2016)

More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM211838
PNG
(US9290459, 41.1)
Show SMILES C[C@H](O)CNC(=O)N1C(C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1)C#N
Show InChI InChI=1/C25H21F3N4O4/c1-14(33)13-30-23(35)32-22(16-7-5-15(12-29)6-8-16)21-19(9-10-20(21)34)31(24(32)36)18-4-2-3-17(11-18)25(26,27)28/h2-8,11,14,22,33H,9-10,13H2,1H3,(H,30,35)/t14-,22?/s2
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Various concentrations of the neutrophil elastase inhibitor are incubated with plasma. Subsequently, the enzyme activity is measured using the fluoro...


US Patent US9290459 (2016)

More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM211932
PNG
(US9290459, 52.2)
Show SMILES CCNC(=O)N1C(C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)F)c1ccc(cc1)C#N
Show InChI InChI=1/C24H20F2N4O3/c1-2-28-23(32)30-21(15-8-6-14(13-27)7-9-15)20-18(10-11-19(20)31)29(24(30)33)17-5-3-4-16(12-17)22(25)26/h3-9,12,21-22H,2,10-11H2,1H3,(H,28,32)
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n/an/an/an/a 1n/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Various concentrations of the neutrophil elastase inhibitor are incubated with plasma. Subsequently, the enzyme activity is measured using the fluoro...


US Patent US9290459 (2016)

More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM211757
PNG
(US9290459, 10A | US9290459, 47.21)
Show SMILES CS(=O)(=O)c1cc(ccc1[C@H]1NC(=O)N(C2=C1C(=O)CC2)c1cccc(c1)C(F)(F)F)C#N
Show InChI InChI=1/C22H16F3N3O4S/c1-33(31,32)18-9-12(11-26)5-6-15(18)20-19-16(7-8-17(19)29)28(21(30)27-20)14-4-2-3-13(10-14)22(23,24)25/h2-6,9-10,20H,7-8H2,1H3,(H,27,30)/t20-/s2
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n/an/an/an/a 1n/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Various concentrations of the neutrophil elastase inhibitor are incubated with plasma. Subsequently, the enzyme activity is measured using the fluoro...


US Patent US9290459 (2016)

More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM211799
PNG
(US9290459, 25)
Show SMILES CN1[C@@H](C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1S(C)(=O)=O)C#N
Show InChI InChI=1/C23H18F3N3O4S/c1-28-21(16-7-6-13(12-27)10-19(16)34(2,32)33)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-/s2
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n/an/an/an/a 1n/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Various concentrations of the neutrophil elastase inhibitor are incubated with plasma. Subsequently, the enzyme activity is measured using the fluoro...


US Patent US9290459 (2016)

More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM211801
PNG
(US9290459, 26A)
Show SMILES CN1[C@@H](C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)F)c1ccc(cc1)C#N
Show InChI InChI=1/C22H17F2N3O2/c1-26-20(14-7-5-13(12-25)6-8-14)19-17(9-10-18(19)28)27(22(26)29)16-4-2-3-15(11-16)21(23)24/h2-8,11,20-21H,9-10H2,1H3/t20-/s2
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n/an/an/an/a 2n/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Various concentrations of the neutrophil elastase inhibitor are incubated with plasma. Subsequently, the enzyme activity is measured using the fluoro...


US Patent US9290459 (2016)

More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50032889
PNG
(CHEMBL3342779 | US9290459, 24)
Show SMILES CCN1C(C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1S(C)(=O)=O)C#N
Show InChI InChI=1/C24H20F3N3O4S/c1-3-29-22(17-8-7-14(13-28)11-20(17)35(2,33)34)21-18(9-10-19(21)31)30(23(29)32)16-6-4-5-15(12-16)24(25,26)27/h4-8,11-12,22H,3,9-10H2,1-2H3
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n/an/an/an/a 2n/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of neutrophil elastase in human plasma using MeOSuc-Ala-Ala-Pro-Val-AMC as substrate by fluorescence assay


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


(Homo sapiens (Human))
BDBM211883
PNG
(US9290459, 45.4)
Show SMILES O[C@H]1CCC[C@@H]1NC(=O)N1[C@@H](C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1)C#N
Show InChI InChI=1/C27H23F3N4O4/c28-27(29,30)17-3-1-4-18(13-17)33-20-11-12-22(36)23(20)24(16-9-7-15(14-31)8-10-16)34(26(33)38)25(37)32-19-5-2-6-21(19)35/h1,3-4,7-10,13,19,21,24,35H,2,5-6,11-12H2,(H,32,37)/t19-,21-,24+/s2
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Various concentrations of the neutrophil elastase inhibitor are incubated with plasma. Subsequently, the enzyme activity is measured using the fluoro...


US Patent US9290459 (2016)

More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM211748
PNG
(US9290459, 7.1A)
Show SMILES CNC(=O)N1[C@@H](C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1)C#N
Show InChI InChI=1/C23H17F3N4O3/c1-28-21(32)30-20(14-7-5-13(12-27)6-8-14)19-17(9-10-18(19)31)29(22(30)33)16-4-2-3-15(11-16)23(24,25)26/h2-8,11,20H,9-10H2,1H3,(H,28,32)/t20-/s2
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Various concentrations of the neutrophil elastase inhibitor are incubated with plasma. Subsequently, the enzyme activity is measured using the fluoro...


US Patent US9290459 (2016)

More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM211775
PNG
(US9290459, 15.4A)
Show SMILES CS(=O)(=O)c1cc(ccc1[C@H]1NC(=O)N(C2=C1C(=O)CC2)c1cccc(c1)C(F)F)C#N
Show InChI InChI=1/C22H17F2N3O4S/c1-32(30,31)18-9-12(11-25)5-6-15(18)20-19-16(7-8-17(19)28)27(22(29)26-20)14-4-2-3-13(10-14)21(23)24/h2-6,9-10,20-21H,7-8H2,1H3,(H,26,29)/t20-/s2
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Various concentrations of the neutrophil elastase inhibitor are incubated with plasma. Subsequently, the enzyme activity is measured using the fluoro...


US Patent US9290459 (2016)

More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM211793
PNG
(US9290459, 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=1/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

US Patent


Assay Description
Various concentrations of the neutrophil elastase inhibitor are incubated with plasma. Subsequently, the enzyme activity is measured using the fluoro...


US Patent US9290459 (2016)

More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM211754
PNG
(US9290459, 9A)
Show SMILES CS(=O)(=O)N1[C@@H](C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1)C#N
Show InChI InChI=1/C22H16F3N3O4S/c1-33(31,32)28-20(14-7-5-13(12-26)6-8-14)19-17(9-10-18(19)29)27(21(28)30)16-4-2-3-15(11-16)22(23,24)25/h2-8,11,20H,9-10H2,1H3/t20-/s2
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Various concentrations of the neutrophil elastase inhibitor are incubated with plasma. Subsequently, the enzyme activity is measured using the fluoro...


US Patent US9290459 (2016)

More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM211780
PNG
(US9290459, 19)
Show SMILES CS(=O)(=O)c1cc(ccc1C1N(CC(O)=O)C(=O)N(C2=C1C(=O)CC2)c1cccc(c1)C(F)(F)F)C#N
Show InChI InChI=1/C24H18F3N3O6S/c1-37(35,36)19-9-13(11-28)5-6-16(19)22-21-17(7-8-18(21)31)30(23(34)29(22)12-20(32)33)15-4-2-3-14(10-15)24(25,26)27/h2-6,9-10,22H,7-8,12H2,1H3,(H,32,33)
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n/an/an/an/a 2n/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Various concentrations of the neutrophil elastase inhibitor are incubated with plasma. Subsequently, the enzyme activity is measured using the fluoro...


US Patent US9290459 (2016)

More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM211842
PNG
(US9290459, 41.5)
Show SMILES OCC1(CC1)NC(=O)N1C(C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1)C#N
Show InChI InChI=1/C26H21F3N4O4/c27-26(28,29)17-2-1-3-18(12-17)32-19-8-9-20(35)21(19)22(16-6-4-15(13-30)5-7-16)33(24(32)37)23(36)31-25(14-34)10-11-25/h1-7,12,22,34H,8-11,14H2,(H,31,36)
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n/an/an/an/a 2n/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Various concentrations of the neutrophil elastase inhibitor are incubated with plasma. Subsequently, the enzyme activity is measured using the fluoro...


US Patent US9290459 (2016)

More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM211853
PNG
(US9290459, 41.16)
Show SMILES FC(F)(F)c1cccc(c1)N1C2=C(C(N(C(=O)NC3CCOCC3)C1=O)c1ccc(cc1)C#N)C(=O)CC2
Show InChI InChI=1/C27H23F3N4O4/c28-27(29,30)18-2-1-3-20(14-18)33-21-8-9-22(35)23(21)24(17-6-4-16(15-31)5-7-17)34(26(33)37)25(36)32-19-10-12-38-13-11-19/h1-7,14,19,24H,8-13H2,(H,32,36)
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n/an/an/an/a 2n/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Various concentrations of the neutrophil elastase inhibitor are incubated with plasma. Subsequently, the enzyme activity is measured using the fluoro...


US Patent US9290459 (2016)

More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM211950
PNG
(US9290459, 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=1/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?/s2
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n/an/an/an/a 2n/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Various concentrations of the neutrophil elastase inhibitor are incubated with plasma. Subsequently, the enzyme activity is measured using the fluoro...


US Patent US9290459 (2016)

More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM211841
PNG
(US9290459, 41.4)
Show SMILES C[C@H](CO)NC(=O)N1C(C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1)C#N
Show InChI InChI=1/C25H21F3N4O4/c1-14(13-33)30-23(35)32-22(16-7-5-15(12-29)6-8-16)21-19(9-10-20(21)34)31(24(32)36)18-4-2-3-17(11-18)25(26,27)28/h2-8,11,14,22,33H,9-10,13H2,1H3,(H,30,35)/t14-,22?/s2
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n/an/an/an/a 2n/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Various concentrations of the neutrophil elastase inhibitor are incubated with plasma. Subsequently, the enzyme activity is measured using the fluoro...


US Patent US9290459 (2016)

More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50032889
PNG
(CHEMBL3342779 | US9290459, 24)
Show SMILES CCN1C(C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1S(C)(=O)=O)C#N
Show InChI InChI=1/C24H20F3N3O4S/c1-3-29-22(17-8-7-14(13-28)11-20(17)35(2,33)34)21-18(9-10-19(21)31)30(23(29)32)16-6-4-5-15(12-16)24(25,26)27/h4-8,11-12,22H,3,9-10H2,1-2H3
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n/an/an/an/a 2n/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Various concentrations of the neutrophil elastase inhibitor are incubated with plasma. Subsequently, the enzyme activity is measured using the fluoro...


US Patent US9290459 (2016)

More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM211686
PNG
(US9290459, 2A)
Show SMILES CN1[C@@H](C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1)C#N
Show InChI InChI=1/C22H16F3N3O2/c1-27-20(14-7-5-13(12-26)6-8-14)19-17(9-10-18(19)29)28(21(27)30)16-4-2-3-15(11-16)22(23,24)25/h2-8,11,20H,9-10H2,1H3/t20-/s2
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n/an/an/an/a 3n/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Various concentrations of the neutrophil elastase inhibitor are incubated with plasma. Subsequently, the enzyme activity is measured using the fluoro...


US Patent US9290459 (2016)

More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50032887
PNG
(CHEMBL3342777 | US9290459, 2)
Show SMILES CN1C(C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1)C#N
Show InChI InChI=1/C22H16F3N3O2/c1-27-20(14-7-5-13(12-26)6-8-14)19-17(9-10-18(19)29)28(21(27)30)16-4-2-3-15(11-16)22(23,24)25/h2-8,11,20H,9-10H2,1H3
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n/an/an/an/a 3n/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of neutrophil elastase in human plasma using MeOSuc-Ala-Ala-Pro-Val-AMC as substrate by fluorescence assay


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


(Homo sapiens (Human))
BDBM211945
PNG
(US9290459, 55)
Show SMILES CC(C)(O)CNC(=O)N1C(C2=C(CCC2=O)N(C1=O)c1ccnc(c1)C(F)(F)F)c1ccc(cc1)C#N
Show InChI InChI=1/C25H22F3N5O4/c1-24(2,37)13-31-22(35)33-21(15-5-3-14(12-29)4-6-15)20-17(7-8-18(20)34)32(23(33)36)16-9-10-30-19(11-16)25(26,27)28/h3-6,9-11,21,37H,7-8,13H2,1-2H3,(H,31,35)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Various concentrations of the neutrophil elastase inhibitor are incubated with plasma. Subsequently, the enzyme activity is measured using the fluoro...


US Patent US9290459 (2016)

More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50032888
PNG
(CHEMBL3342778 | US9290459, 6.3)
Show SMILES FC(F)(F)c1cccc(c1)N1C2=C(C(N(CC(=O)N3CCC3)C1=O)c1ccc(cc1)C#N)C(=O)CC2
Show InChI InChI=1/C26H21F3N4O3/c27-26(28,29)18-3-1-4-19(13-18)33-20-9-10-21(34)23(20)24(17-7-5-16(14-30)6-8-17)32(25(33)36)15-22(35)31-11-2-12-31/h1,3-8,13,24H,2,9-12,15H2
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
Various concentrations of the neutrophil elastase inhibitor are incubated with plasma. Subsequently, the enzyme activity is measured using the fluoro...


US Patent US9290459 (2016)

More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM211692
PNG
(US9290459, 6.2)
Show SMILES CN(C)C(=O)CN1C(C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1)C#N
Show InChI InChI=1/C25H21F3N4O3/c1-30(2)21(34)14-31-23(16-8-6-15(13-29)7-9-16)22-19(10-11-20(22)33)32(24(31)35)18-5-3-4-17(12-18)25(26,27)28/h3-9,12,23H,10-11,14H2,1-2H3
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n/an/an/an/a 4n/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Various concentrations of the neutrophil elastase inhibitor are incubated with plasma. Subsequently, the enzyme activity is measured using the fluoro...


US Patent US9290459 (2016)

More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50032888
PNG
(CHEMBL3342778 | US9290459, 6.3)
Show SMILES FC(F)(F)c1cccc(c1)N1C2=C(C(N(CC(=O)N3CCC3)C1=O)c1ccc(cc1)C#N)C(=O)CC2
Show InChI InChI=1/C26H21F3N4O3/c27-26(28,29)18-3-1-4-19(13-18)33-20-9-10-21(34)23(20)24(17-7-5-16(14-30)6-8-17)32(25(33)36)15-22(35)31-11-2-12-31/h1,3-8,13,24H,2,9-12,15H2
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Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of neutrophil elastase in human plasma using MeOSuc-Ala-Ala-Pro-Val-AMC as substrate by fluorescence assay


Citation and Details
More data for this
Ligand-Target Pair
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