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Patent code USRE47493

Compile Data Set for Download or QSAR

Found 273 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))		BDBM405457
PNG
(USRE47493, Example 47.2)
Show SMILES CS(=O)(=O)c1cc(ccc1C1N(C(=O)NCCO)C(=O)N(C2=C1C(=O)CCC2)c1cccc(c1)C(F)(F)F)C#N
Show InChI InChI=1S/C26H23F3N4O6S/c1-40(38,39)21-12-15(14-30)8-9-18(21)23-22-19(6-3-7-20(22)35)32(25(37)33(23)24(36)31-10-11-34)17-5-2-4-16(13-17)26(27,28)29/h2,4-5,8-9,12-13,23,34H,3,6-7,10-11H2,1H3,(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 Bache...

US Patent USRE47493 (2019)


BindingDB Entry DOI: 10.7270/Q2668GJJ
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))		BDBM405460
PNG
(USRE47493, Example 48)
Show SMILES CN1[C@@H](C2=C(CCCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1S(C)(=O)=O)C#N
Show InChI InChI=1S/C24H20F3N3O4S/c1-29-22(17-10-9-14(13-28)11-20(17)35(2,33)34)21-18(7-4-8-19(21)31)30(23(29)32)16-6-3-5-15(12-16)24(25,26)27/h3,5-6,9-12,22H,4,7-8H2,1-2H3/t22-/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 Bache...

US Patent USRE47493 (2019)


BindingDB Entry DOI: 10.7270/Q2668GJJ
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))		BDBM405485
PNG
(USRE47493, Example 62.1)
Show SMILES CS(O)(O)c1cc(ccc1C1N(CC(=O)N2CCC2)C(=O)N(C2=C1C(=O)CCC2)c1cccc(c1)C(F)(F)F)C#N
Show InChI InChI=1S/C28H27F3N4O5S/c1-41(39,40)23-13-17(15-32)9-10-20(23)26-25-21(7-3-8-22(25)36)35(19-6-2-5-18(14-19)28(29,30)31)27(38)34(26)16-24(37)33-11-4-12-33/h2,5-6,9-10,13-14,26,39-40H,3-4,7-8,11-12,16H2,1H3
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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 Bache...

US Patent USRE47493 (2019)


BindingDB Entry DOI: 10.7270/Q2668GJJ
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))		BDBM405513
PNG
(USRE47493, Example 70.11 | USRE47493, Example 70.1...)
Show SMILES O[C@H]1CCCC1NC(=O)N1C(C2=C(CCCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1)C#N
Show InChI InChI=1S/C28H25F3N4O4/c29-28(30,31)18-4-1-5-19(14-18)34-21-7-3-9-23(37)24(21)25(17-12-10-16(15-32)11-13-17)35(27(34)39)26(38)33-20-6-2-8-22(20)36/h1,4-5,10-14,20,22,25,36H,2-3,6-9H2,(H,33,38)/t20?,22-,25?/m0/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 Bache...

US Patent USRE47493 (2019)


BindingDB Entry DOI: 10.7270/Q2668GJJ
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))		BDBM405533
PNG
(USRE47493, Example 75.6)
Show SMILES COCCNC(=O)N1[C@@H](C2=C(CCCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1S(C)(O)O)C#N
Show InChI InChI=1S/C27H27F3N4O6S/c1-40-12-11-32-25(36)34-24(19-10-9-16(15-31)13-22(19)41(2,38)39)23-20(7-4-8-21(23)35)33(26(34)37)18-6-3-5-17(14-18)27(28,29)30/h3,5-6,9-10,13-14,24,38-39H,4,7-8,11-12H2,1-2H3,(H,32,36)/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
Materials: Human neutrophil elastase was purchased from Calbiochem (Cat.No.: 324681) and the elastase substrate MeOSuc-Ala-Ala-Pro-Val-AMC from Bache...

US Patent USRE47493 (2019)


BindingDB Entry DOI: 10.7270/Q2668GJJ
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))		BDBM405418
PNG
(USRE47493, Example 39.6)
Show SMILES OCCCNC(=O)N1C(C2=C(CCCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1)C#N
Show InChI InChI=1S/C26H23F3N4O4/c27-26(28,29)18-4-1-5-19(14-18)32-20-6-2-7-21(35)22(20)23(17-10-8-16(15-30)9-11-17)33(25(32)37)24(36)31-12-3-13-34/h1,4-5,8-11,14,23,34H,2-3,6-7,12-13H2,(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 Bache...

US Patent USRE47493 (2019)


BindingDB Entry DOI: 10.7270/Q2668GJJ
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))		BDBM405425
PNG
(USRE47493, Example 39.13)
Show SMILES Cn1ccc(CNC(=O)N2C(C3=C(CCCC3=O)N(C2=O)c2cccc(c2)C(F)(F)F)c2ccc(cc2)C#N)n1
Show InChI InChI=1S/C28H23F3N6O3/c1-35-13-12-20(34-35)16-33-26(39)37-25(18-10-8-17(15-32)9-11-18)24-22(6-3-7-23(24)38)36(27(37)40)21-5-2-4-19(14-21)28(29,30)31/h2,4-5,8-14,25H,3,6-7,16H2,1H3,(H,33,39)
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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 Bache...

US Patent USRE47493 (2019)


BindingDB Entry DOI: 10.7270/Q2668GJJ
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))		BDBM405488
PNG
(USRE47493, Example 62.4)
Show SMILES CS(O)(O)c1cc(ccc1C1N(CC(=O)N2CC3CC3C2)C(=O)N(C2=C1C(=O)CCC2)c1cccc(c1)C(F)(F)F)C#N
Show InChI InChI=1S/C30H29F3N4O5S/c1-43(41,42)25-10-17(13-34)8-9-22(25)28-27-23(6-3-7-24(27)38)37(21-5-2-4-20(12-21)30(31,32)33)29(40)36(28)16-26(39)35-14-18-11-19(18)15-35/h2,4-5,8-10,12,18-19,28,41-42H,3,6-7,11,14-16H2,1H3
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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 Bache...

US Patent USRE47493 (2019)


BindingDB Entry DOI: 10.7270/Q2668GJJ
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))		BDBM405508
PNG
(USRE47493, Example 70.6)
Show SMILES FC(F)CNC(=O)N1C(C2=C(CCCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1)C#N
Show InChI InChI=1S/C25H19F5N4O3/c26-20(27)13-32-23(36)34-22(15-9-7-14(12-31)8-10-15)21-18(5-2-6-19(21)35)33(24(34)37)17-4-1-3-16(11-17)25(28,29)30/h1,3-4,7-11,20,22H,2,5-6,13H2,(H,32,36)
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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 Bache...

US Patent USRE47493 (2019)


BindingDB Entry DOI: 10.7270/Q2668GJJ
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))		BDBM405516
PNG
(USRE47493, Example 70.14)
Show SMILES FC(F)(F)c1cccc(c1)N1C(=O)N(C(C2=C1CCCC2=O)c1ccc(cc1)C#N)C(=O)NC1CCOCC1
Show InChI InChI=1S/C28H25F3N4O4/c29-28(30,31)19-3-1-4-21(15-19)34-22-5-2-6-23(36)24(22)25(18-9-7-17(16-32)8-10-18)35(27(34)38)26(37)33-20-11-13-39-14-12-20/h1,3-4,7-10,15,20,25H,2,5-6,11-14H2,(H,33,37)
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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 Bache...

US Patent USRE47493 (2019)


BindingDB Entry DOI: 10.7270/Q2668GJJ
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))		BDBM405530
PNG
(USRE47493, Example 75.3)
Show SMILES CC(C)NC(=O)N1[C@@H](C2=C(CCCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1S(C)(O)O)C#N
Show InChI InChI=1S/C27H27F3N4O5S/c1-15(2)32-25(36)34-24(19-11-10-16(14-31)12-22(19)40(3,38)39)23-20(8-5-9-21(23)35)33(26(34)37)18-7-4-6-17(13-18)27(28,29)30/h4,6-7,10-13,15,24,38-39H,5,8-9H2,1-3H3,(H,32,36)/t24-/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 Bache...

US Patent USRE47493 (2019)


BindingDB Entry DOI: 10.7270/Q2668GJJ
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))		BDBM405531
PNG
(USRE47493, Example 75.4)
Show SMILES CC(NC(=O)N1[C@@H](C2=C(CCCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1S(C)(O)O)C#N)C#N
Show InChI InChI=1S/C27H24F3N5O5S/c1-15(13-31)33-25(37)35-24(19-10-9-16(14-32)11-22(19)41(2,39)40)23-20(7-4-8-21(23)36)34(26(35)38)18-6-3-5-17(12-18)27(28,29)30/h3,5-6,9-12,15,24,39-40H,4,7-8H2,1-2H3,(H,33,37)/t15?,24-/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 Bache...

US Patent USRE47493 (2019)


BindingDB Entry DOI: 10.7270/Q2668GJJ
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))		BDBM405534
PNG
(USRE47493, Example 75.7)
Show SMILES CC(F)CNC(=O)N1[C@@H](C2=C(CCCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1S(C)(O)O)C#N
Show InChI InChI=1S/C27H26F4N4O5S/c1-15(28)14-33-25(37)35-24(19-10-9-16(13-32)11-22(19)41(2,39)40)23-20(7-4-8-21(23)36)34(26(35)38)18-6-3-5-17(12-18)27(29,30)31/h3,5-6,9-12,15,24,39-40H,4,7-8,14H2,1-2H3,(H,33,37)/t15?,24-/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 Bache...

US Patent USRE47493 (2019)


BindingDB Entry DOI: 10.7270/Q2668GJJ
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))		BDBM405539
PNG
(USRE47493, Example 75.12)
Show SMILES CC(C)(C)CNC(=O)N1[C@@H](C2=C(CCCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1S(C)(O)O)C#N
Show InChI InChI=1S/C29H31F3N4O5S/c1-28(2,3)16-34-26(38)36-25(20-12-11-17(15-33)13-23(20)42(4,40)41)24-21(9-6-10-22(24)37)35(27(36)39)19-8-5-7-18(14-19)29(30,31)32/h5,7-8,11-14,25,40-41H,6,9-10,16H2,1-4H3,(H,34,38)/t25-/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 Bache...

US Patent USRE47493 (2019)


BindingDB Entry DOI: 10.7270/Q2668GJJ
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))		BDBM405332
PNG
(USRE47493, Example 35A)
Show SMILES Cn1ncc2CN(Cc12)C(=O)CN1[C@@H](C2=C(CCCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1)C#N
Show InChI InChI=1S/C30H25F3N6O3/c1-36-24-16-37(15-20(24)14-35-36)26(41)17-38-28(19-10-8-18(13-34)9-11-19)27-23(6-3-7-25(27)40)39(29(38)42)22-5-2-4-21(12-22)30(31,32)33/h2,4-5,8-12,14,28H,3,6-7,15-17H2,1H3/t28-/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 Bache...

US Patent USRE47493 (2019)


BindingDB Entry DOI: 10.7270/Q2668GJJ
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))		BDBM405431
PNG
(USRE47493, Example 39.19)
Show SMILES CS(=O)(=O)CCNC(=O)N1C(C2=C(CCCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1)C#N
Show InChI InChI=1S/C26H23F3N4O5S/c1-39(37,38)13-12-31-24(35)33-23(17-10-8-16(15-30)9-11-17)22-20(6-3-7-21(22)34)32(25(33)36)19-5-2-4-18(14-19)26(27,28)29/h2,4-5,8-11,14,23H,3,6-7,12-13H2,1H3,(H,31,35)
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n/an/a<1n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


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

US Patent USRE47493 (2019)


BindingDB Entry DOI: 10.7270/Q2668GJJ
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))		BDBM405454
PNG
(USRE47493, Example 47A)
Show SMILES CNC(=O)N1[C@@H](C2=C(CCCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1S(C)(=O)=O)C#N
Show InChI InChI=1S/C25H21F3N4O5S/c1-30-23(34)32-22(17-10-9-14(13-29)11-20(17)38(2,36)37)21-18(7-4-8-19(21)33)31(24(32)35)16-6-3-5-15(12-16)25(26,27)28/h3,5-6,9-12,22H,4,7-8H2,1-2H3,(H,30,34)/t22-/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 Bache...

US Patent USRE47493 (2019)


BindingDB Entry DOI: 10.7270/Q2668GJJ
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))		BDBM405489
PNG
(USRE47493, Example 62.5)
Show SMILES CS(O)(O)c1cc(ccc1C1N(CC(=O)N2CCCCC2)C(=O)N(C2=C1C(=O)CCC2)c1cccc(c1)C(F)(F)F)C#N
Show InChI InChI=1S/C30H31F3N4O5S/c1-43(41,42)25-15-19(17-34)11-12-22(25)28-27-23(9-6-10-24(27)38)37(21-8-5-7-20(16-21)30(31,32)33)29(40)36(28)18-26(39)35-13-3-2-4-14-35/h5,7-8,11-12,15-16,28,41-42H,2-4,6,9-10,13-14,18H2,1H3
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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 Bache...

US Patent USRE47493 (2019)


BindingDB Entry DOI: 10.7270/Q2668GJJ
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))		BDBM405491
PNG
(USRE47493, Example 62.7)
Show SMILES COCCN(C)C(=O)CN1C(C2=C(CCCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1S(C)(O)O)C#N
Show InChI InChI=1S/C29H31F3N4O6S/c1-34(12-13-42-2)25(38)17-35-27(21-11-10-18(16-33)14-24(21)43(3,40)41)26-22(8-5-9-23(26)37)36(28(35)39)20-7-4-6-19(15-20)29(30,31)32/h4,6-7,10-11,14-15,27,40-41H,5,8-9,12-13,17H2,1-3H3
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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 Bache...

US Patent USRE47493 (2019)


BindingDB Entry DOI: 10.7270/Q2668GJJ
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))		BDBM405522
PNG
(USRE47493, Example 70.20)
Show SMILES FC(F)(F)c1cccc(c1)N1C(=O)N(C(C2=C1CCCC2=O)c1ccc(cc1)C#N)C(=O)NC1CCCS(=O)(=O)C1
Show InChI InChI=1S/C28H25F3N4O5S/c29-28(30,31)19-4-1-6-21(14-19)34-22-7-2-8-23(36)24(22)25(18-11-9-17(15-32)10-12-18)35(27(34)38)26(37)33-20-5-3-13-41(39,40)16-20/h1,4,6,9-12,14,20,25H,2-3,5,7-8,13,16H2,(H,33,37)
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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 Bache...

US Patent USRE47493 (2019)


BindingDB Entry DOI: 10.7270/Q2668GJJ
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))		BDBM405523
PNG
(USRE47493, Example 71)
Show SMILES FC(F)(F)c1cccc(c1)N1C(=O)N(C(C2=C1CCCC2=O)c1ccc(cc1)C#N)C(=O)NC1CCS(=O)CC1
Show InChI InChI=1S/C28H25F3N4O4S/c29-28(30,31)19-3-1-4-21(15-19)34-22-5-2-6-23(36)24(22)25(18-9-7-17(16-32)8-10-18)35(27(34)38)26(37)33-20-11-13-40(39)14-12-20/h1,3-4,7-10,15,20,25H,2,5-6,11-14H2,(H,33,37)
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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 Bache...

US Patent USRE47493 (2019)


BindingDB Entry DOI: 10.7270/Q2668GJJ
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))		BDBM405525
PNG
(USRE47493, Example 73)
Show SMILES CNC(=O)N1C(C2=C(CCCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1C)C#N
Show InChI InChI=1S/C25H21F3N4O3/c1-14-11-15(13-29)9-10-18(14)22-21-19(7-4-8-20(21)33)31(24(35)32(22)23(34)30-2)17-6-3-5-16(12-17)25(26,27)28/h3,5-6,9-12,22H,4,7-8H2,1-2H3,(H,30,34)
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Boehringer Ingelheim International GmbH

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

US Patent USRE47493 (2019)


BindingDB Entry DOI: 10.7270/Q2668GJJ
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))		BDBM405538
PNG
(USRE47493, Example 75.11)
Show SMILES CS(O)(O)c1cc(ccc1[C@H]1N(C(=O)NC2CC(O)C2)C(=O)N(C2=C1C(=O)CCC2)c1cccc(c1)C(F)(F)F)C#N
Show InChI InChI=1S/C28H27F3N4O6S/c1-42(40,41)23-10-15(14-32)8-9-20(23)25-24-21(6-3-7-22(24)37)34(18-5-2-4-16(11-18)28(29,30)31)27(39)35(25)26(38)33-17-12-19(36)13-17/h2,4-5,8-11,17,19,25,36,40-41H,3,6-7,12-13H2,1H3,(H,33,38)/t17?,19?,25-/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 Bache...

US Patent USRE47493 (2019)


BindingDB Entry DOI: 10.7270/Q2668GJJ
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))		BDBM405414
PNG
(USRE47493, Example 39.2)
Show SMILES CCCNC(=O)N1C(C2=C(CCCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1)C#N
Show InChI InChI=1S/C26H23F3N4O3/c1-2-13-31-24(35)33-23(17-11-9-16(15-30)10-12-17)22-20(7-4-8-21(22)34)32(25(33)36)19-6-3-5-18(14-19)26(27,28)29/h3,5-6,9-12,14,23H,2,4,7-8,13H2,1H3,(H,31,35)
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Boehringer Ingelheim International GmbH

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

US Patent USRE47493 (2019)


BindingDB Entry DOI: 10.7270/Q2668GJJ
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))		BDBM405432
PNG
(USRE47493, Example 39.20)
Show SMILES CS(=O)(=O)c1ccc(CNC(=O)N2C(C3=C(CCCC3=O)N(C2=O)c2cccc(c2)C(F)(F)F)c2ccc(cc2)C#N)nc1
Show InChI InChI=1S/C30H24F3N5O5S/c1-44(42,43)23-13-12-21(35-17-23)16-36-28(40)38-27(19-10-8-18(15-34)9-11-19)26-24(6-3-7-25(26)39)37(29(38)41)22-5-2-4-20(14-22)30(31,32)33/h2,4-5,8-14,17,27H,3,6-7,16H2,1H3,(H,36,40)
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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 Bache...

US Patent USRE47493 (2019)


BindingDB Entry DOI: 10.7270/Q2668GJJ
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))		BDBM405504
PNG
(USRE47493, Example 70.2)
Show SMILES FC(F)(F)c1cccc(c1)N1C(=O)N(C(C2=C1CCCC2=O)c1ccc(cc1)C#N)C(=O)NCC#N
Show InChI InChI=1S/C25H18F3N5O3/c26-25(27,28)17-3-1-4-18(13-17)32-19-5-2-6-20(34)21(19)22(16-9-7-15(14-30)8-10-16)33(24(32)36)23(35)31-12-11-29/h1,3-4,7-10,13,22H,2,5-6,12H2,(H,31,35)
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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 Bache...

US Patent USRE47493 (2019)


BindingDB Entry DOI: 10.7270/Q2668GJJ
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))		BDBM405527
PNG
(USRE47493, Example 75)
Show SMILES CS(O)(O)c1cc(ccc1[C@H]1N(C(N)=O)C(=O)N(C2=C1C(=O)CCC2)c1cccc(c1)C(F)(F)F)C#N
Show InChI InChI=1S/C24H21F3N4O5S/c1-37(35,36)19-10-13(12-28)8-9-16(19)21-20-17(6-3-7-18(20)32)30(23(34)31(21)22(29)33)15-5-2-4-14(11-15)24(25,26)27/h2,4-5,8-11,21,35-36H,3,6-7H2,1H3,(H2,29,33)/t21-/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 Bache...

US Patent USRE47493 (2019)


BindingDB Entry DOI: 10.7270/Q2668GJJ
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))		BDBM405532
PNG
(USRE47493, Example 75.5)
Show SMILES CS(O)(O)c1cc(ccc1[C@H]1N(C(=O)NC2COC2)C(=O)N(C2=C1C(=O)CCC2)c1cccc(c1)C(F)(F)F)C#N
Show InChI InChI=1S/C27H25F3N4O6S/c1-41(38,39)22-10-15(12-31)8-9-19(22)24-23-20(6-3-7-21(23)35)33(18-5-2-4-16(11-18)27(28,29)30)26(37)34(24)25(36)32-17-13-40-14-17/h2,4-5,8-11,17,24,38-39H,3,6-7,13-14H2,1H3,(H,32,36)/t24-/m1/s1
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Boehringer Ingelheim International GmbH

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

US Patent USRE47493 (2019)


BindingDB Entry DOI: 10.7270/Q2668GJJ
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))		BDBM405536
PNG
(USRE47493, Example 75.9)
Show SMILES CS(O)(O)c1cc(ccc1[C@H]1N(C(=O)NC2C3CC2C3)C(=O)N(C2=C1C(=O)CCC2)c1cccc(c1)C(F)(F)F)C#N
Show InChI InChI=1S/C29H27F3N4O5S/c1-42(40,41)23-10-15(14-33)8-9-20(23)26-24-21(6-3-7-22(24)37)35(19-5-2-4-18(13-19)29(30,31)32)28(39)36(26)27(38)34-25-16-11-17(25)12-16/h2,4-5,8-10,13,16-17,25-26,40-41H,3,6-7,11-12H2,1H3,(H,34,38)/t16?,17?,25?,26-/m1/s1
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Boehringer Ingelheim International GmbH

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

US Patent USRE47493 (2019)


BindingDB Entry DOI: 10.7270/Q2668GJJ
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))		BDBM405537
PNG
(USRE47493, Example 75.10)
Show SMILES CS(O)(O)c1cc(ccc1[C@H]1N(C(=O)NC2CCOC2)C(=O)N(C2=C1C(=O)CCC2)c1cccc(c1)C(F)(F)F)C#N
Show InChI InChI=1S/C28H27F3N4O6S/c1-42(39,40)23-12-16(14-32)8-9-20(23)25-24-21(6-3-7-22(24)36)34(19-5-2-4-17(13-19)28(29,30)31)27(38)35(25)26(37)33-18-10-11-41-15-18/h2,4-5,8-9,12-13,18,25,39-40H,3,6-7,10-11,15H2,1H3,(H,33,37)/t18?,25-/m1/s1
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Boehringer Ingelheim International GmbH

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

US Patent USRE47493 (2019)


BindingDB Entry DOI: 10.7270/Q2668GJJ
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))		BDBM405543
PNG
(USRE47493, Example 75.16)
Show SMILES CS(O)(O)c1cc(ccc1[C@H]1N(C(=O)NC2CCOCC2)C(=O)N(C2=C1C(=O)CCC2)c1cccc(c1)C(F)(F)F)C#N
Show InChI InChI=1S/C29H29F3N4O6S/c1-43(40,41)24-14-17(16-33)8-9-21(24)26-25-22(6-3-7-23(25)37)35(20-5-2-4-18(15-20)29(30,31)32)28(39)36(26)27(38)34-19-10-12-42-13-11-19/h2,4-5,8-9,14-15,19,26,40-41H,3,6-7,10-13H2,1H3,(H,34,38)/t26-/m1/s1
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Boehringer Ingelheim International GmbH

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

US Patent USRE47493 (2019)


BindingDB Entry DOI: 10.7270/Q2668GJJ
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))		BDBM405547
PNG
(USRE47493, Example 75.20)
Show SMILES CS(O)(O)c1cc(ccc1[C@H]1N(C(=O)NC2CCCC[C@@H]2O)C(=O)N(C2=C1C(=O)CCC2)c1cccc(c1)C(F)(F)F)C#N
Show InChI InChI=1S/C30H31F3N4O6S/c1-44(42,43)25-14-17(16-34)12-13-20(25)27-26-22(9-5-11-24(26)39)36(19-7-4-6-18(15-19)30(31,32)33)29(41)37(27)28(40)35-21-8-2-3-10-23(21)38/h4,6-7,12-15,21,23,27,38,42-43H,2-3,5,8-11H2,1H3,(H,35,40)/t21?,23-,27+/m0/s1
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Boehringer Ingelheim International GmbH

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

US Patent USRE47493 (2019)


BindingDB Entry DOI: 10.7270/Q2668GJJ
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))		BDBM405458
PNG
(USRE47493, Example 47.3)
Show SMILES CS(=O)(=O)c1cc(ccc1C1N(C(=O)NCCCO)C(=O)N(C2=C1C(=O)CCC2)c1cccc(c1)C(F)(F)F)C#N
Show InChI InChI=1S/C27H25F3N4O6S/c1-41(39,40)22-13-16(15-31)9-10-19(22)24-23-20(7-3-8-21(23)36)33(18-6-2-5-17(14-18)27(28,29)30)26(38)34(24)25(37)32-11-4-12-35/h2,5-6,9-10,13-14,24,35H,3-4,7-8,11-12H2,1H3,(H,32,37)
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Boehringer Ingelheim International GmbH

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

US Patent USRE47493 (2019)


BindingDB Entry DOI: 10.7270/Q2668GJJ
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))		BDBM405463
PNG
(USRE47493, Example 51)
Show SMILES CCNC(=O)N1C(C2=C(CCCC2=O)N(C1=O)c1cccc(c1)C(F)F)c1ccc(cc1S(C)(=O)=O)C#N
Show InChI InChI=1S/C26H24F2N4O5S/c1-3-30-25(34)32-23(18-11-10-15(14-29)12-21(18)38(2,36)37)22-19(8-5-9-20(22)33)31(26(32)35)17-7-4-6-16(13-17)24(27)28/h4,6-7,10-13,23-24H,3,5,8-9H2,1-2H3,(H,30,34)
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Boehringer Ingelheim International GmbH

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

US Patent USRE47493 (2019)


BindingDB Entry DOI: 10.7270/Q2668GJJ
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))		BDBM405500
PNG
(USRE47493, Example 68)
Show SMILES CS(O)(O)c1cc(ccc1[C@H]1N(C(=O)N(C2=C1C(=O)CCC2)c1cccc(c1)C(F)(F)F)S(C)(=O)=O)C#N
Show InChI InChI=1S/C24H22F3N3O6S2/c1-37(33,34)20-11-14(13-28)9-10-17(20)22-21-18(7-4-8-19(21)31)29(23(32)30(22)38(2,35)36)16-6-3-5-15(12-16)24(25,26)27/h3,5-6,9-12,22,33-34H,4,7-8H2,1-2H3/t22-/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 Bache...

US Patent USRE47493 (2019)


BindingDB Entry DOI: 10.7270/Q2668GJJ
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))		BDBM405505
PNG
(USRE47493, Example 70.3)
Show SMILES FC(F)(F)c1cccc(c1)N1C(=O)N(C(C2=C1CCCC2=O)c1ccc(cc1)C#N)C(=O)NC1CC1
Show InChI InChI=1S/C26H21F3N4O3/c27-26(28,29)17-3-1-4-19(13-17)32-20-5-2-6-21(34)22(20)23(16-9-7-15(14-30)8-10-16)33(25(32)36)24(35)31-18-11-12-18/h1,3-4,7-10,13,18,23H,2,5-6,11-12H2,(H,31,35)
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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 Bache...

US Patent USRE47493 (2019)


BindingDB Entry DOI: 10.7270/Q2668GJJ
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))		BDBM405513
PNG
(USRE47493, Example 70.11 | USRE47493, Example 70.1...)
Show SMILES O[C@H]1CCCC1NC(=O)N1C(C2=C(CCCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1)C#N
Show InChI InChI=1S/C28H25F3N4O4/c29-28(30,31)18-4-1-5-19(14-18)34-21-7-3-9-23(37)24(21)25(17-12-10-16(15-32)11-13-17)35(27(34)39)26(38)33-20-6-2-8-22(20)36/h1,4-5,10-14,20,22,25,36H,2-3,6-9H2,(H,33,38)/t20?,22-,25?/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 Bache...

US Patent USRE47493 (2019)


BindingDB Entry DOI: 10.7270/Q2668GJJ
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))		BDBM405542
PNG
(USRE47493, Example 75.15)
Show SMILES CS(O)(O)c1cc(ccc1[C@H]1N(C(=O)NC2CCC[C@H]2O)C(=O)N(C2=C1C(=O)CCC2)c1cccc(c1)C(F)(F)F)C#N
Show InChI InChI=1S/C29H29F3N4O6S/c1-43(41,42)24-13-16(15-33)11-12-19(24)26-25-21(8-4-10-23(25)38)35(18-6-2-5-17(14-18)29(30,31)32)28(40)36(26)27(39)34-20-7-3-9-22(20)37/h2,5-6,11-14,20,22,26,37,41-42H,3-4,7-10H2,1H3,(H,34,39)/t20?,22-,26-/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 Bache...

US Patent USRE47493 (2019)


BindingDB Entry DOI: 10.7270/Q2668GJJ
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))		BDBM405417
PNG
(USRE47493, Example 39.5)
Show SMILES FC(F)(F)c1cccc(c1)N1C(=O)N(C(C2=C1CCCC2=O)c1ccc(cc1)C#N)C(=O)NC1COC1
Show InChI InChI=1S/C26H21F3N4O4/c27-26(28,29)17-3-1-4-19(11-17)32-20-5-2-6-21(34)22(20)23(16-9-7-15(12-30)8-10-16)33(25(32)36)24(35)31-18-13-37-14-18/h1,3-4,7-11,18,23H,2,5-6,13-14H2,(H,31,35)
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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 Bache...

US Patent USRE47493 (2019)


BindingDB Entry DOI: 10.7270/Q2668GJJ
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))		BDBM405421
PNG
(USRE47493, Example 39.9)
Show SMILES FC(F)(F)c1cccc(c1)N1C(=O)N(C(C2=C1CCCC2=O)c1ccc(cc1)C#N)C(=O)NCC1CCOC1
Show InChI InChI=1S/C28H25F3N4O4/c29-28(30,31)20-3-1-4-21(13-20)34-22-5-2-6-23(36)24(22)25(19-9-7-17(14-32)8-10-19)35(27(34)38)26(37)33-15-18-11-12-39-16-18/h1,3-4,7-10,13,18,25H,2,5-6,11-12,15-16H2,(H,33,37)
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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 Bache...

US Patent USRE47493 (2019)


BindingDB Entry DOI: 10.7270/Q2668GJJ
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))		BDBM405424
PNG
(USRE47493, Example 39.12)
Show SMILES CS(=O)CCNC(=O)N1C(C2=C(CCCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1)C#N
Show InChI InChI=1S/C26H23F3N4O4S/c1-38(37)13-12-31-24(35)33-23(17-10-8-16(15-30)9-11-17)22-20(6-3-7-21(22)34)32(25(33)36)19-5-2-4-18(14-19)26(27,28)29/h2,4-5,8-11,14,23H,3,6-7,12-13H2,1H3,(H,31,35)
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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 Bache...

US Patent USRE47493 (2019)


BindingDB Entry DOI: 10.7270/Q2668GJJ
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))		BDBM405453
PNG
(USRE47493, Example 47)
Show SMILES CNC(=O)N1C(C2=C(CCCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1S(C)(=O)=O)C#N
Show InChI InChI=1S/C25H21F3N4O5S/c1-30-23(34)32-22(17-10-9-14(13-29)11-20(17)38(2,36)37)21-18(7-4-8-19(21)33)31(24(32)35)16-6-3-5-15(12-16)25(26,27)28/h3,5-6,9-12,22H,4,7-8H2,1-2H3,(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 Bache...

US Patent USRE47493 (2019)


BindingDB Entry DOI: 10.7270/Q2668GJJ
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))		BDBM405456
PNG
(USRE47493, Example 47.1)
Show SMILES CCC(=O)N1C(C2=C(CCCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1S(C)(=O)=O)C#N
Show InChI InChI=1S/C26H22F3N3O5S/c1-3-22(34)32-24(18-11-10-15(14-30)12-21(18)38(2,36)37)23-19(8-5-9-20(23)33)31(25(32)35)17-7-4-6-16(13-17)26(27,28)29/h4,6-7,10-13,24H,3,5,8-9H2,1-2H3
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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 Bache...

US Patent USRE47493 (2019)


BindingDB Entry DOI: 10.7270/Q2668GJJ
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))		BDBM405459
PNG
(USRE47493, Example 47.4)
Show SMILES CS(=O)(=O)CCNC(=O)N1C(C2=C(CCCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1S(C)(=O)=O)C#N
Show InChI InChI=1S/C27H25F3N4O7S2/c1-42(38,39)12-11-32-25(36)34-24(19-10-9-16(15-31)13-22(19)43(2,40)41)23-20(7-4-8-21(23)35)33(26(34)37)18-6-3-5-17(14-18)27(28,29)30/h3,5-6,9-10,13-14,24H,4,7-8,11-12H2,1-2H3,(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 Bache...

US Patent USRE47493 (2019)


BindingDB Entry DOI: 10.7270/Q2668GJJ
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))		BDBM405462
PNG
(USRE47493, Example 50)
Show SMILES CNC(=O)N1C(C2=C(CCCC2=O)N(C1=O)c1cccc(c1)C(F)F)c1ccc(cc1S(C)(=O)=O)C#N
Show InChI InChI=1S/C25H22F2N4O5S/c1-29-24(33)31-22(17-10-9-14(13-28)11-20(17)37(2,35)36)21-18(7-4-8-19(21)32)30(25(31)34)16-6-3-5-15(12-16)23(26)27/h3,5-6,9-12,22-23H,4,7-8H2,1-2H3,(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 Bache...

US Patent USRE47493 (2019)


BindingDB Entry DOI: 10.7270/Q2668GJJ
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))		BDBM405480
PNG
(USRE47493, Example 58.6)
Show SMILES CS(O)(O)c1cc(ccc1C1N(CC2CCOCC2)C(=O)N(C2=C1C(=O)CCC2)c1cccc(c1)C(F)(F)F)C#N
Show InChI InChI=1S/C29H30F3N3O5S/c1-41(38,39)25-14-19(16-33)8-9-22(25)27-26-23(6-3-7-24(26)36)35(21-5-2-4-20(15-21)29(30,31)32)28(37)34(27)17-18-10-12-40-13-11-18/h2,4-5,8-9,14-15,18,27,38-39H,3,6-7,10-13,17H2,1H3
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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 Bache...

US Patent USRE47493 (2019)


BindingDB Entry DOI: 10.7270/Q2668GJJ
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))		BDBM405520
PNG
(USRE47493, Example 70.18)
Show SMILES FC(F)(F)c1cccc(c1)N1C(=O)N(C(C2=C1CCCC2=O)c1ccc(cc1)C#N)C(=O)NC1CS(=O)(=O)C1
Show InChI InChI=1S/C26H21F3N4O5S/c27-26(28,29)17-3-1-4-19(11-17)32-20-5-2-6-21(34)22(20)23(16-9-7-15(12-30)8-10-16)33(25(32)36)24(35)31-18-13-39(37,38)14-18/h1,3-4,7-11,18,23H,2,5-6,13-14H2,(H,31,35)
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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 Bache...

US Patent USRE47493 (2019)


BindingDB Entry DOI: 10.7270/Q2668GJJ
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))		BDBM405526
PNG
(USRE47493, Example 74)
Show SMILES CCNC(=O)N1C(C2=C(CCCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1C)C#N
Show InChI InChI=1S/C26H23F3N4O3/c1-3-31-24(35)33-23(19-11-10-16(14-30)12-15(19)2)22-20(8-5-9-21(22)34)32(25(33)36)18-7-4-6-17(13-18)26(27,28)29/h4,6-7,10-13,23H,3,5,8-9H2,1-2H3,(H,31,35)
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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 Bache...

US Patent USRE47493 (2019)


BindingDB Entry DOI: 10.7270/Q2668GJJ
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))		BDBM405528
PNG
(USRE47493, Example 75.1)
Show SMILES CS(O)(O)c1cc(ccc1[C@H]1N(C(=O)NCC#C)C(=O)N(C2=C1C(=O)CCC2)c1cccc(c1)C(F)(F)F)C#N
Show InChI InChI=1S/C27H23F3N4O5S/c1-3-12-32-25(36)34-24(19-11-10-16(15-31)13-22(19)40(2,38)39)23-20(8-5-9-21(23)35)33(26(34)37)18-7-4-6-17(14-18)27(28,29)30/h1,4,6-7,10-11,13-14,24,38-39H,5,8-9,12H2,2H3,(H,32,36)/t24-/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 Bache...

US Patent USRE47493 (2019)


BindingDB Entry DOI: 10.7270/Q2668GJJ
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))		BDBM405529
PNG
(USRE47493, Example 75.2)
Show SMILES CS(O)(O)c1cc(ccc1[C@H]1N(C(=O)NC2CC2)C(=O)N(C2=C1C(=O)CCC2)c1cccc(c1)C(F)(F)F)C#N
Show InChI InChI=1S/C27H25F3N4O5S/c1-40(38,39)22-12-15(14-31)8-11-19(22)24-23-20(6-3-7-21(23)35)33(18-5-2-4-16(13-18)27(28,29)30)26(37)34(24)25(36)32-17-9-10-17/h2,4-5,8,11-13,17,24,38-39H,3,6-7,9-10H2,1H3,(H,32,36)/t24-/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 Bache...

US Patent USRE47493 (2019)


BindingDB Entry DOI: 10.7270/Q2668GJJ
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 273 total )  |  Next  |  Last  >>
* indicates data uncertainty>20%