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Patent code US9290459

Compile Data Set for Download or QSAR

Found 353 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
Neutrophil elastase


(Homo sapiens (Human))		BDBM211744
PNG
(US9290459, 7.8 | US9670166, 7.8)
Show SMILES FC(F)(F)c1cccc(c1)N1C2=C(C(N(C(=O)NCC3CCC(=O)N3)C1=O)c1ccc(cc1)C#N)C(=O)CC2 |c:12|
Show InChI InChI=1S/C27H22F3N5O4/c28-27(29,30)17-2-1-3-19(12-17)34-20-9-10-21(36)23(20)24(16-6-4-15(13-31)5-7-16)35(26(34)39)25(38)32-14-18-8-11-22(37)33-18/h1-7,12,18,24H,8-11,14H2,(H,32,38)(H,33,37)
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n/an/a<1n/an/an/an/a7.525



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 US9290459 (2016)


BindingDB Entry DOI: 10.7270/Q2KS6QD5
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM211789
PNG
(US9290459, 22.7 | US9670166, 22.7)
Show SMILES CS(=O)(=O)c1cc(ccc1C1N(CC(=O)N2CCC(F)C2)C(=O)N(C2=C1C(=O)CC2)c1cccc(c1)C(F)(F)F)C#N |c:26|
Show InChI InChI=1S/C28H24F4N4O5S/c1-42(40,41)23-11-16(13-33)5-6-20(23)26-25-21(7-8-22(25)37)36(19-4-2-3-17(12-19)28(30,31)32)27(39)35(26)15-24(38)34-10-9-18(29)14-34/h2-6,11-12,18,26H,7-10,14-15H2,1H3
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n/an/a<1n/an/an/an/a7.525



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 US9290459 (2016)


BindingDB Entry DOI: 10.7270/Q2KS6QD5
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM211819
PNG
(US9290459, 32.2 | US9670166, 32.2)
Show SMILES CCOC(=O)N1C(C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1S(C)(=O)=O)C#N |t:7|
Show InChI InChI=1S/C25H20F3N3O6S/c1-3-37-24(34)31-22(17-8-7-14(13-29)11-20(17)38(2,35)36)21-18(9-10-19(21)32)30(23(31)33)16-6-4-5-15(12-16)25(26,27)28/h4-8,11-12,22H,3,9-10H2,1-2H3
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n/an/a<1n/an/an/an/a7.525



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 US9290459 (2016)


BindingDB Entry DOI: 10.7270/Q2KS6QD5
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM211820
PNG
(US9290459, 32.3 | US9670166, 32.3)
Show SMILES COCCOC(=O)N1C(C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1S(C)(=O)=O)C#N |t:9|
Show InChI InChI=1S/C26H22F3N3O7S/c1-38-10-11-39-25(35)32-23(18-7-6-15(14-30)12-21(18)40(2,36)37)22-19(8-9-20(22)33)31(24(32)34)17-5-3-4-16(13-17)26(27,28)29/h3-7,12-13,23H,8-11H2,1-2H3
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n/an/a<1n/an/an/an/a7.525



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 US9290459 (2016)


BindingDB Entry DOI: 10.7270/Q2KS6QD5
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM211842
PNG
(US9290459, 41.5 | US9670166, 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 |t:11|
Show InChI InChI=1S/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/a<1n/an/an/an/a7.525



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 US9290459 (2016)


BindingDB Entry DOI: 10.7270/Q2KS6QD5
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM211868
PNG
(US9290459, 41.31 | US9670166, 41.31)
Show SMILES CC(C)S(=O)(=O)CCNC(=O)N1C(C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1)C#N |t:13|
Show InChI InChI=1S/C27H25F3N4O5S/c1-16(2)40(38,39)13-12-32-25(36)34-24(18-8-6-17(15-31)7-9-18)23-21(10-11-22(23)35)33(26(34)37)20-5-3-4-19(14-20)27(28,29)30/h3-9,14,16,24H,10-13H2,1-2H3,(H,32,36)
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n/an/a<1n/an/an/an/a7.525



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 US9290459 (2016)


BindingDB Entry DOI: 10.7270/Q2KS6QD5
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM211873
PNG
(US9290459, 42.4 | US9670166, 42.4)
Show SMILES O[C@H]1CCC[C@@H]1NC(=O)N1C(C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1)C#N |r,t:12|
Show InChI InChI=1S/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?/m0/s1
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n/an/a<1n/an/an/an/a7.525



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 US9290459 (2016)


BindingDB Entry DOI: 10.7270/Q2KS6QD5
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM211885
PNG
(US9290459, 45.6 | US9670166, 45.6)
Show SMILES FC(F)(F)c1cccc(c1)N1C2=C([C@H](N(C(=O)NC3CS(=O)(=O)C3)C1=O)c1ccc(cc1)C#N)C(=O)CC2 |r,c:12|
Show InChI InChI=1S/C25H19F3N4O5S/c26-25(27,28)16-2-1-3-18(10-16)31-19-8-9-20(33)21(19)22(15-6-4-14(11-29)5-7-15)32(24(31)35)23(34)30-17-12-38(36,37)13-17/h1-7,10,17,22H,8-9,12-13H2,(H,30,34)/t22-/m1/s1
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n/an/a<1n/an/an/an/a7.525



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 US9290459 (2016)


BindingDB Entry DOI: 10.7270/Q2KS6QD5
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM211888
PNG
(US9290459, 47.3 | US9670166, 47.3)
Show SMILES CS(=O)(=O)c1cc(ccc1[C@H]1N(C(=O)NCC#N)C(=O)N(C2=C1C(=O)CC2)c1cccc(c1)C(F)(F)F)C#N |r,c:22|
Show InChI InChI=1S/C25H18F3N5O5S/c1-39(37,38)20-11-14(13-30)5-6-17(20)22-21-18(7-8-19(21)34)32(24(36)33(22)23(35)31-10-9-29)16-4-2-3-15(12-16)25(26,27)28/h2-6,11-12,22H,7-8,10H2,1H3,(H,31,35)/t22-/m1/s1
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n/an/a<1n/an/an/an/a7.525



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 US9290459 (2016)


BindingDB Entry DOI: 10.7270/Q2KS6QD5
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM211899
PNG
(US9290459, 47.14 | US9670166, 47.14)
Show SMILES CC(C)(CO)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 |r,t:10|
Show InChI InChI=1S/C27H25F3N4O6S/c1-26(2,14-35)32-24(37)34-23(18-8-7-15(13-31)11-21(18)41(3,39)40)22-19(9-10-20(22)36)33(25(34)38)17-6-4-5-16(12-17)27(28,29)30/h4-8,11-12,23,35H,9-10,14H2,1-3H3,(H,32,37)/t23-/m1/s1
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n/an/a<1n/an/an/an/a7.525



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 US9290459 (2016)


BindingDB Entry DOI: 10.7270/Q2KS6QD5
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM211900
PNG
(US9290459, 47.15 | US9670166, 47.15)
Show SMILES CS(=O)(=O)c1cc(ccc1[C@H]1N(C(=O)NC2CCOCC2)C(=O)N(C2=C1C(=O)CC2)c1cccc(c1)C(F)(F)F)C#N |r,c:26|
Show InChI InChI=1S/C28H25F3N4O6S/c1-42(39,40)23-13-16(15-32)5-6-20(23)25-24-21(7-8-22(24)36)34(19-4-2-3-17(14-19)28(29,30)31)27(38)35(25)26(37)33-18-9-11-41-12-10-18/h2-6,13-14,18,25H,7-12H2,1H3,(H,33,37)/t25-/m1/s1
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n/an/a<1n/an/an/an/a7.525



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 US9290459 (2016)


BindingDB Entry DOI: 10.7270/Q2KS6QD5
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM211901
PNG
(US9290459, 43.16 | US9670166, 47.16)
Show SMILES CS(=O)(=O)c1cc(ccc1[C@H]1N(C(=O)NCC2CC(O)C2)C(=O)N(C2=C1C(=O)CC2)c1cccc(c1)C(F)(F)F)C#N |r,wU:10.10,c:26,(-1.61,5.02,;-2.94,4.25,;-3.71,2.92,;-2.17,2.92,;-4.28,5.02,;-4.28,6.56,;-5.61,7.33,;-6.94,6.56,;-6.94,5.02,;-5.61,4.25,;-5.61,.54,;-4.28,-.23,;-2.94,.54,;-2.94,2.08,;-1.61,-.23,;-.28,.54,;1.06,-.23,;1.46,-1.71,;2.94,-1.31,;4.28,-2.08,;2.55,.17,;-4.28,-1.77,;-2.94,-2.54,;-5.61,-2.54,;-6.94,-1.77,;-6.94,-.23,;-8.41,.25,;-9.18,1.58,;-9.31,-1,;-8.41,-2.24,;-5.61,-4.08,;-6.94,-4.85,;-6.94,-6.39,;-5.61,-7.16,;-4.23,-6.41,;-4.28,-4.85,;-2.9,-7.18,;-1.56,-7.95,;-3.67,-8.52,;-2.13,-5.85,;-5.61,8.87,;-5.61,10.41,)|
Show InChI InChI=1S/C28H25F3N4O6S/c1-42(40,41)23-11-15(13-32)5-6-20(23)25-24-21(7-8-22(24)37)34(18-4-2-3-17(12-18)28(29,30)31)27(39)35(25)26(38)33-14-16-9-19(36)10-16/h2-6,11-12,16,19,25,36H,7-10,14H2,1H3,(H,33,38)/t16?,19?,25-/m1/s1
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n/an/a<1n/an/an/an/a7.525



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 US9290459 (2016)


BindingDB Entry DOI: 10.7270/Q2KS6QD5
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM211910
PNG
(US9290459, 48.4)
Show SMILES CS(=O)(=O)c1cc(ccc1[C@H]1N(C(=O)N[C@H]2CC[C@H](O)C2)C(=O)N(C2=C1C(=O)CC2)c1cccc(c1)C(F)(F)F)C#N |r,c:26|
Show InChI InChI=1S/C28H25F3N4O6S/c1-42(40,41)23-11-15(14-32)5-8-20(23)25-24-21(9-10-22(24)37)34(18-4-2-3-16(12-18)28(29,30)31)27(39)35(25)26(38)33-17-6-7-19(36)13-17/h2-5,8,11-12,17,19,25,36H,6-7,9-10,13H2,1H3,(H,33,38)/t17-,19-,25+/m0/s1
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n/an/a<1n/an/an/an/a7.525



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 US9290459 (2016)


BindingDB Entry DOI: 10.7270/Q2KS6QD5
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM211912
PNG
(US9290459, 49A | US9670166, 49A)
Show SMILES CNC(=O)N1[C@@H](C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1F)C#N |r,t:6|
Show InChI InChI=1S/C23H16F4N4O3/c1-29-21(33)31-20(15-6-5-12(11-28)9-16(15)24)19-17(7-8-18(19)32)30(22(31)34)14-4-2-3-13(10-14)23(25,26)27/h2-6,9-10,20H,7-8H2,1H3,(H,29,33)/t20-/m1/s1
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n/an/a<1n/an/an/an/a7.525



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 US9290459 (2016)


BindingDB Entry DOI: 10.7270/Q2KS6QD5
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM211927
PNG
(US9290459, 51.4 | US9475779, C.3 | US9670166, 51.4)
Show SMILES CCNC(=O)N1C(C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1S(C)=O)C#N |t:7|
Show InChI InChI=1S/C25H21F3N4O4S/c1-3-30-23(34)32-22(17-8-7-14(13-29)11-20(17)37(2)36)21-18(9-10-19(21)33)31(24(32)35)16-6-4-5-15(12-16)25(26,27)28/h4-8,11-12,22H,3,9-10H2,1-2H3,(H,30,34)
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n/an/a<1n/an/an/an/a7.525



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 US9290459 (2016)


BindingDB Entry DOI: 10.7270/Q2KS6QD5
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM211937
PNG
(US9290459, 53.2 | US9670166, 53.2)
Show SMILES CCNC(=O)N1C(C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)F)c1ccc(cc1S(C)(=O)=O)C#N |t:7|
Show InChI InChI=1S/C25H22F2N4O5S/c1-3-29-24(33)31-22(17-8-7-14(13-28)11-20(17)37(2,35)36)21-18(9-10-19(21)32)30(25(31)34)16-6-4-5-15(12-16)23(26)27/h4-8,11-12,22-23H,3,9-10H2,1-2H3,(H,29,33)
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n/an/a<1n/an/an/an/a7.525



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 US9290459 (2016)


BindingDB Entry DOI: 10.7270/Q2KS6QD5
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM211947
PNG
(US9290459, 56.2 | US9475779, D.4.10 | US9670166, 5...)
Show SMILES CCNC(=O)N1C(C2=C(CCC2=O)N(C1=O)c1ccnc(c1)C(F)(F)F)c1ccc(cc1S(C)(=O)=O)C#N |t:7|
Show InChI InChI=1S/C24H20F3N5O5S/c1-3-29-22(34)32-21(15-5-4-13(12-28)10-18(15)38(2,36)37)20-16(6-7-17(20)33)31(23(32)35)14-8-9-30-19(11-14)24(25,26)27/h4-5,8-11,21H,3,6-7H2,1-2H3,(H,29,34)
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n/an/a<1n/an/an/an/a7.525



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 US9290459 (2016)


BindingDB Entry DOI: 10.7270/Q2KS6QD5
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM211738
PNG
(US9290459, 7.2 | US9670166, 7.2)
Show SMILES OCCNC(=O)N1C(C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1)C#N |t:8|
Show InChI InChI=1S/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)
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n/an/a<1n/an/an/an/a7.525



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 US9290459 (2016)


BindingDB Entry DOI: 10.7270/Q2KS6QD5
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM211742
PNG
(US9290459, 7.6 | US9670166, 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 |t:10|
Show InChI InChI=1S/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/a<1n/an/an/an/a7.525



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 US9290459 (2016)


BindingDB Entry DOI: 10.7270/Q2KS6QD5
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM211747
PNG
(US9290459, 7.11 | US9670166, 7.11)
Show SMILES CS(=O)(=O)c1ccc(CNC(=O)N2C(C3=C(CCC3=O)N(C2=O)c2cccc(c2)C(F)(F)F)c2ccc(cc2)C#N)nc1 |t:14|
Show InChI InChI=1S/C29H22F3N5O5S/c1-43(41,42)22-10-9-20(34-16-22)15-35-27(39)37-26(18-7-5-17(14-33)6-8-18)25-23(11-12-24(25)38)36(28(37)40)21-4-2-3-19(13-21)29(30,31)32/h2-10,13,16,26H,11-12,15H2,1H3,(H,35,39)
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n/an/a<1n/an/an/an/a7.525



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 US9290459 (2016)


BindingDB Entry DOI: 10.7270/Q2KS6QD5
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM211782
PNG
(US9290459, 21 | US9670166, 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 |t:10|
Show InChI InChI=1S/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/a<1n/an/an/an/a7.525



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 US9290459 (2016)


BindingDB Entry DOI: 10.7270/Q2KS6QD5
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM211787
PNG
(US9290459, 22.5 | US9670166, 22.5)
Show SMILES CS(=O)(=O)c1cc(ccc1C1N(CC(=O)N2CCOCC2)C(=O)N(C2=C1C(=O)CC2)c1cccc(c1)C(F)(F)F)C#N |c:26|
Show InChI InChI=1S/C28H25F3N4O6S/c1-42(39,40)23-13-17(15-32)5-6-20(23)26-25-21(7-8-22(25)36)35(19-4-2-3-18(14-19)28(29,30)31)27(38)34(26)16-24(37)33-9-11-41-12-10-33/h2-6,13-14,26H,7-12,16H2,1H3
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n/an/a 1n/an/an/an/a7.525



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 US9290459 (2016)


BindingDB Entry DOI: 10.7270/Q2KS6QD5
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM211844
PNG
(US9290459, 41.7 | US9670166, 41.7)
Show SMILES FC(F)(F)c1cccc(c1)N1C2=C(C(N(C(=O)N[C@@H]3CCOC3)C1=O)c1ccc(cc1)C#N)C(=O)CC2 |r,c:12|
Show InChI InChI=1S/C26H21F3N4O4/c27-26(28,29)17-2-1-3-19(12-17)32-20-8-9-21(34)22(20)23(16-6-4-15(13-30)5-7-16)33(25(32)36)24(35)31-18-10-11-37-14-18/h1-7,12,18,23H,8-11,14H2,(H,31,35)/t18-,23?/m1/s1
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n/an/a<1n/an/an/an/a7.525



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 US9290459 (2016)


BindingDB Entry DOI: 10.7270/Q2KS6QD5
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM211850
PNG
(US9290459, 41.13 | US9670166, 41.13)
Show SMILES FC(F)(F)c1cccc(c1)N1C2=C(C(N(C(=O)NCC3CCOC3)C1=O)c1ccc(cc1)C#N)C(=O)CC2 |c:12|
Show InChI InChI=1S/C27H23F3N4O4/c28-27(29,30)19-2-1-3-20(12-19)33-21-8-9-22(35)23(21)24(18-6-4-16(13-31)5-7-18)34(26(33)37)25(36)32-14-17-10-11-38-15-17/h1-7,12,17,24H,8-11,14-15H2,(H,32,36)
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n/an/a<1n/an/an/an/a7.525



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 US9290459 (2016)


BindingDB Entry DOI: 10.7270/Q2KS6QD5
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM211854
PNG
(US9290459, 41.17 | US9670166, 41.17)
Show SMILES CC(C)(O)CCNC(=O)N1C(C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1)C#N |t:11|
Show InChI InChI=1S/C27H25F3N4O4/c1-26(2,38)12-13-32-24(36)34-23(17-8-6-16(15-31)7-9-17)22-20(10-11-21(22)35)33(25(34)37)19-5-3-4-18(14-19)27(28,29)30/h3-9,14,23,38H,10-13H2,1-2H3,(H,32,36)
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n/an/a<1n/an/an/an/a7.525



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 US9290459 (2016)


BindingDB Entry DOI: 10.7270/Q2KS6QD5
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM211872
PNG
(US9290459, 42.3 | US9670166, 42.3)
Show SMILES O[C@@H]1CCC[C@H]1NC(=O)N1C(C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1)C#N |r,t:12|
Show InChI InChI=1S/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?/m1/s1
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n/an/a<1n/an/an/an/a7.525



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 US9290459 (2016)


BindingDB Entry DOI: 10.7270/Q2KS6QD5
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM211875
PNG
(US9290459, 42.6 | US9670166, 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 |r,t:12|
Show InChI InChI=1S/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?/m0/s1
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n/an/a<1n/an/an/an/a7.525



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 US9290459 (2016)


BindingDB Entry DOI: 10.7270/Q2KS6QD5
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM211887
PNG
(US9290459, 47.2 | US9670166, 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 |r,t:7|
Show InChI InChI=1S/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-/m1/s1
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n/an/a<1n/an/an/an/a7.525



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 US9290459 (2016)


BindingDB Entry DOI: 10.7270/Q2KS6QD5
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM211889
PNG
(US9290459, 47.4 | US9670166, 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 |r,c:23|
Show InChI InChI=1S/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-/m1/s1
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n/an/a<1n/an/an/an/a7.525



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 US9290459 (2016)


BindingDB Entry DOI: 10.7270/Q2KS6QD5
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM211896
PNG
(US9290459, 47.11 | US9670166, 47.11)
Show SMILES CS(=O)(=O)c1cc(ccc1[C@H]1N(C(=O)NCC2(O)CC2)C(=O)N(C2=C1C(=O)CC2)c1cccc(c1)C(F)(F)F)C#N |r,c:25|
Show InChI InChI=1S/C27H23F3N4O6S/c1-41(39,40)21-11-15(13-31)5-6-18(21)23-22-19(7-8-20(22)35)33(17-4-2-3-16(12-17)27(28,29)30)25(37)34(23)24(36)32-14-26(38)9-10-26/h2-6,11-12,23,38H,7-10,14H2,1H3,(H,32,36)/t23-/m1/s1
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n/an/a<1n/an/an/an/a7.525



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 US9290459 (2016)


BindingDB Entry DOI: 10.7270/Q2KS6QD5
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM211902
PNG
(US9290459, 47.17 | US9670166, 47.17)
Show SMILES CS(=O)(=O)c1cc(ccc1[C@H]1N(C(=O)NCC2(O)CCC2)C(=O)N(C2=C1C(=O)CC2)c1cccc(c1)C(F)(F)F)C#N |r,c:26|
Show InChI InChI=1S/C28H25F3N4O6S/c1-42(40,41)22-12-16(14-32)6-7-19(22)24-23-20(8-9-21(23)36)34(18-5-2-4-17(13-18)28(29,30)31)26(38)35(24)25(37)33-15-27(39)10-3-11-27/h2,4-7,12-13,24,39H,3,8-11,15H2,1H3,(H,33,37)/t24-/m1/s1
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n/an/a<1n/an/an/an/a7.525



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 US9290459 (2016)


BindingDB Entry DOI: 10.7270/Q2KS6QD5
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM211909
PNG
(US9290459, 48.3 | US9670166, 48.3)
Show SMILES CS(=O)(=O)c1cc(ccc1[C@H]1N(C(=O)NC2CC(O)C2)C(=O)N(C2=C1C(=O)CC2)c1cccc(c1)C(F)(F)F)C#N |r,wU:10.10,c:25,(-.94,3.93,;-2.28,3.16,;-3.05,1.83,;-1.51,1.83,;-3.61,3.93,;-3.61,5.47,;-4.94,6.24,;-6.28,5.47,;-6.28,3.93,;-4.94,3.16,;-4.94,-.54,;-3.61,-1.31,;-2.28,-.54,;-2.28,1,;-.94,-1.31,;.39,-.54,;1.88,-.94,;2.28,.54,;3.61,1.31,;.79,.94,;-3.61,-2.85,;-2.28,-3.62,;-4.94,-3.62,;-6.28,-2.85,;-6.28,-1.31,;-7.74,-.84,;-8.51,.5,;-8.65,-2.08,;-7.74,-3.33,;-4.94,-5.16,;-6.28,-5.93,;-6.28,-7.47,;-4.94,-8.24,;-3.56,-7.5,;-3.61,-5.93,;-2.23,-8.27,;-.9,-9.04,;-3,-9.61,;-1.46,-6.94,;-4.94,7.78,;-4.94,9.32,)|
Show InChI InChI=1S/C27H23F3N4O6S/c1-41(39,40)22-9-14(13-31)5-6-19(22)24-23-20(7-8-21(23)36)33(17-4-2-3-15(10-17)27(28,29)30)26(38)34(24)25(37)32-16-11-18(35)12-16/h2-6,9-10,16,18,24,35H,7-8,11-12H2,1H3,(H,32,37)/t16?,18?,24-/m1/s1
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n/an/a<1n/an/an/an/a7.525



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 US9290459 (2016)


BindingDB Entry DOI: 10.7270/Q2KS6QD5
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM211916
PNG
(US9290459, 49.3 | US9670166, 49.3)
Show SMILES CS(=O)(=O)CCNC(=O)N1C(C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1F)C#N |t:11|
Show InChI InChI=1S/C25H20F4N4O5S/c1-39(37,38)10-9-31-23(35)33-22(17-6-5-14(13-30)11-18(17)26)21-19(7-8-20(21)34)32(24(33)36)16-4-2-3-15(12-16)25(27,28)29/h2-6,11-12,22H,7-10H2,1H3,(H,31,35)
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n/an/a 1n/an/an/an/a7.525



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 US9290459 (2016)


BindingDB Entry DOI: 10.7270/Q2KS6QD5
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM211926
PNG
(US9290459, 51.3 | US9670166, 51.3)
Show SMILES CCNC(=O)N1C(C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1S(=O)(=O)CC)C#N |t:7|
Show InChI InChI=1S/C26H23F3N4O5S/c1-3-31-24(35)33-23(18-9-8-15(14-30)12-21(18)39(37,38)4-2)22-19(10-11-20(22)34)32(25(33)36)17-7-5-6-16(13-17)26(27,28)29/h5-9,12-13,23H,3-4,10-11H2,1-2H3,(H,31,35)
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n/an/a<1n/an/an/an/a7.525



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 US9290459 (2016)


BindingDB Entry DOI: 10.7270/Q2KS6QD5
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM211740
PNG
(US9290459, 7.4 | US9670166, 7.4)
Show SMILES COCCNC(=O)N1C(C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1)C#N |t:9|
Show InChI InChI=1S/C25H21F3N4O4/c1-36-12-11-30-23(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/a<1n/an/an/an/a7.525



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 US9290459 (2016)


BindingDB Entry DOI: 10.7270/Q2KS6QD5
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM211745
PNG
(US9290459, 7.9 | US9670166, 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 |t:13|
Show InChI InChI=1S/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/a<1n/an/an/an/a7.525



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 US9290459 (2016)


BindingDB Entry DOI: 10.7270/Q2KS6QD5
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM211796
PNG
(US9290459, 24.4 | US9670166, 24.4)
Show SMILES COCCCN1C(C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1S(C)(=O)=O)C#N |t:7|
Show InChI InChI=1S/C26H24F3N3O5S/c1-37-12-4-11-31-24(19-8-7-16(15-30)13-22(19)38(2,35)36)23-20(9-10-21(23)33)32(25(31)34)18-6-3-5-17(14-18)26(27,28)29/h3,5-8,13-14,24H,4,9-12H2,1-2H3
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n/an/a 1n/an/an/an/a7.525



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 US9290459 (2016)


BindingDB Entry DOI: 10.7270/Q2KS6QD5
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM211838
PNG
(US9290459, 41.1 | US9670166, 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 |r,t:9|
Show InChI InChI=1S/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?/m0/s1
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n/an/a<1n/an/an/an/a7.525



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 US9290459 (2016)


BindingDB Entry DOI: 10.7270/Q2KS6QD5
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM211840
PNG
(US9290459, 41.3 | US9670166, 41.3)
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 |r,t:9|
Show InChI InChI=1S/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?/m0/s1
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n/an/a<1n/an/an/an/a7.525



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 US9290459 (2016)


BindingDB Entry DOI: 10.7270/Q2KS6QD5
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM211843
PNG
(US9290459, 41.6 | US9670166, 41.6)
Show SMILES FC(F)(F)c1cccc(c1)N1C2=C(C(N(C(=O)N[C@H]3CCOC3)C1=O)c1ccc(cc1)C#N)C(=O)CC2 |r,c:12|
Show InChI InChI=1S/C26H21F3N4O4/c27-26(28,29)17-2-1-3-19(12-17)32-20-8-9-21(34)22(20)23(16-6-4-15(13-30)5-7-16)33(25(32)36)24(35)31-18-10-11-37-14-18/h1-7,12,18,23H,8-11,14H2,(H,31,35)/t18-,23?/m0/s1
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n/an/a<1n/an/an/an/a7.525



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 US9290459 (2016)


BindingDB Entry DOI: 10.7270/Q2KS6QD5
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM211846
PNG
(US9290459, 41.9 | US9670166, 41.9)
Show SMILES CCOCCNC(=O)N1C(C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1)C#N |t:10|
Show InChI InChI=1S/C26H23F3N4O4/c1-2-37-13-12-31-24(35)33-23(17-8-6-16(15-30)7-9-17)22-20(10-11-21(22)34)32(25(33)36)19-5-3-4-18(14-19)26(27,28)29/h3-9,14,23H,2,10-13H2,1H3,(H,31,35)
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n/an/a<1n/an/an/an/a7.525



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 US9290459 (2016)


BindingDB Entry DOI: 10.7270/Q2KS6QD5
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM211865
PNG
(US9290459, 41.28 | US9670166, 41.28)
Show SMILES CCS(=O)(=O)CCNC(=O)N1C(C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1)C#N |t:12|
Show InChI InChI=1S/C26H23F3N4O5S/c1-2-39(37,38)13-12-31-24(35)33-23(17-8-6-16(15-30)7-9-17)22-20(10-11-21(22)34)32(25(33)36)19-5-3-4-18(14-19)26(27,28)29/h3-9,14,23H,2,10-13H2,1H3,(H,31,35)
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n/an/a<1n/an/an/an/a7.525



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 US9290459 (2016)


BindingDB Entry DOI: 10.7270/Q2KS6QD5
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM211869
PNG
(US9290459, 42 | US9670166, 42)
Show SMILES FC(F)(F)c1cccc(c1)N1C2=C(C(N(C(=O)NC3CS(=O)(=O)C3)C1=O)c1ccc(cc1)C#N)C(=O)CC2 |c:12|
Show InChI InChI=1S/C25H19F3N4O5S/c26-25(27,28)16-2-1-3-18(10-16)31-19-8-9-20(33)21(19)22(15-6-4-14(11-29)5-7-15)32(24(31)35)23(34)30-17-12-38(36,37)13-17/h1-7,10,17,22H,8-9,12-13H2,(H,30,34)
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n/an/a<1n/an/an/an/a7.525



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 US9290459 (2016)


BindingDB Entry DOI: 10.7270/Q2KS6QD5
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM211874
PNG
(US9290459, 42.5 | US9670166, 42.5)
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 |r,t:12|
Show InChI InChI=1S/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?/m0/s1
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n/an/a<1n/an/an/an/a7.525



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 US9290459 (2016)


BindingDB Entry DOI: 10.7270/Q2KS6QD5
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM211876
PNG
(US9290459, 42.7 | US9670166, 42.7)
Show SMILES FC(F)(F)c1cccc(c1)N1C2=C(C(N(C(=O)NC3CCSCC3)C1=O)c1ccc(cc1)C#N)C(=O)CC2 |c:12|
Show InChI InChI=1S/C27H23F3N4O3S/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/a<1n/an/an/an/a7.525



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 US9290459 (2016)


BindingDB Entry DOI: 10.7270/Q2KS6QD5
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM211879
PNG
(US9290459, 44 | US9670166, 44)
Show SMILES FC(F)(F)c1cccc(c1)N1C2=C(C(N(C(=O)NC3CCS(=N)(=O)CC3)C1=O)c1ccc(cc1)C#N)C(=O)CC2 |c:12|
Show InChI InChI=1S/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)
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n/an/a<1n/an/an/an/a7.525



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 US9290459 (2016)


BindingDB Entry DOI: 10.7270/Q2KS6QD5
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM211880
PNG
(US9290459, 45.1 | US9670166, 45.1)
Show SMILES FC(F)(F)c1cccc(c1)N1C2=C([C@H](N(C(=O)NCC#N)C1=O)c1ccc(cc1)C#N)C(=O)CC2 |r,c:12|
Show InChI InChI=1S/C24H16F3N5O3/c25-24(26,27)16-2-1-3-17(12-16)31-18-8-9-19(33)20(18)21(15-6-4-14(13-29)5-7-15)32(23(31)35)22(34)30-11-10-28/h1-7,12,21H,8-9,11H2,(H,30,34)/t21-/m1/s1
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n/an/a<1n/an/an/an/a7.525



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 US9290459 (2016)


BindingDB Entry DOI: 10.7270/Q2KS6QD5
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM211884
PNG
(US9290459, 45.5 | US9670166, 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 |r,t:12|
Show InChI InChI=1S/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+/m0/s1
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n/an/a<1n/an/an/an/a7.525



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 US9290459 (2016)


BindingDB Entry DOI: 10.7270/Q2KS6QD5
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM211890
PNG
(US9290459, 47.5 | US9670166, 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 |r,t:8|
Show InChI InChI=1S/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-/m1/s1
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n/an/a<1n/an/an/an/a7.525



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 US9290459 (2016)


BindingDB Entry DOI: 10.7270/Q2KS6QD5
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM211904
PNG
(US9290459, 47.19 | US9670166, 47.19)
Show SMILES CS(=O)(=O)c1cc(ccc1[C@H]1N(C(=O)N[C@H]2CCC[C@@H]2O)C(=O)N(C2=C1C(=O)CC2)c1cccc(c1)C(F)(F)F)C#N |r,c:26|
Show InChI InChI=1S/C28H25F3N4O6S/c1-42(40,41)23-12-15(14-32)8-9-18(23)25-24-20(10-11-22(24)37)34(17-5-2-4-16(13-17)28(29,30)31)27(39)35(25)26(38)33-19-6-3-7-21(19)36/h2,4-5,8-9,12-13,19,21,25,36H,3,6-7,10-11H2,1H3,(H,33,38)/t19-,21-,25+/m0/s1
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US Patent
n/an/a<1n/an/an/an/a7.525



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 US9290459 (2016)


BindingDB Entry DOI: 10.7270/Q2KS6QD5
More data for this
Ligand-Target Pair
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* indicates data uncertainty>20%