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PubMed code 1542092

Compile data set for download or QSAR
Found 38 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))
BDBM50005159
PNG
(4-(4-Chloro-benzenesulfonylaminocarbonyl)-N-(2-met...)
Show SMILES CC(C)C(NC(=O)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N(CC1CCCO1)CC(=O)NC(C(C)C)C(=O)C(F)(F)F
Show InChI InChI=1S/C32H38ClF3N4O8S/c1-18(2)26(28(42)32(34,35)36)37-25(41)17-40(16-23-6-5-15-48-23)31(45)27(19(3)4)38-29(43)20-7-9-21(10-8-20)30(44)39-49(46,47)24-13-11-22(33)12-14-24/h7-14,18-19,23,26-27H,5-6,15-17H2,1-4H3,(H,37,41)(H,38,43)(H,39,44)
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n/an/a 30n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human leukocyte elastase


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


(Homo sapiens (Human))
BDBM50005147
PNG
((S)-1-{(S)-2-[4-(4-Bromo-benzenesulfonylaminocarbo...)
Show SMILES CC(C)C(NC(=O)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(Br)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)F
Show InChI InChI=1S/C30H34BrF3N4O7S/c1-16(2)23(25(39)30(32,33)34)35-28(42)22-6-5-15-38(22)29(43)24(17(3)4)36-26(40)18-7-9-19(10-8-18)27(41)37-46(44,45)21-13-11-20(31)12-14-21/h7-14,16-17,22-24H,5-6,15H2,1-4H3,(H,35,42)(H,36,40)(H,37,41)/t22-,23-,24?/m0/s1
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n/an/a 38n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human leukocyte elastase


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


(Homo sapiens (Human))
BDBM50005166
PNG
(4-(4-Chloro-benzenesulfonylaminocarbonyl)-N-(2-met...)
Show SMILES CC(C)C(NC(=O)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N(C)CC(=O)NC(C(C)C)C(=O)C(F)(F)F
Show InChI InChI=1S/C28H32ClF3N4O7S/c1-15(2)22(24(38)28(30,31)32)33-21(37)14-36(5)27(41)23(16(3)4)34-25(39)17-6-8-18(9-7-17)26(40)35-44(42,43)20-12-10-19(29)11-13-20/h6-13,15-16,22-23H,14H2,1-5H3,(H,33,37)(H,34,39)(H,35,40)
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n/an/a 52n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human leukocyte elastase


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


(Homo sapiens (Human))
BDBM50005176
PNG
(4-{{2-[4-(4-Chloro-benzenesulfonylaminocarbonyl)-b...)
Show SMILES CCOC(=O)N1CCC(CC1)N(CC(=O)NC(C(C)C)C(=O)C(F)(F)F)C(=O)C(NC(=O)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(Cl)cc1)C(C)C
Show InChI InChI=1S/C35H43ClF3N5O9S/c1-6-53-34(50)43-17-15-25(16-18-43)44(19-27(45)40-28(20(2)3)30(46)35(37,38)39)33(49)29(21(4)5)41-31(47)22-7-9-23(10-8-22)32(48)42-54(51,52)26-13-11-24(36)12-14-26/h7-14,20-21,25,28-29H,6,15-19H2,1-5H3,(H,40,45)(H,41,47)(H,42,48)
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n/an/a 57n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human leukocyte elastase


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


(Homo sapiens (Human))
BDBM50005174
PNG
(CHEMBL435649 | N-(1-{Bicyclo[2.2.1]hept-2-yl-[(3,3...)
Show SMILES CC(C)C(NC(=O)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N(CC(=O)NC(C(C)C)C(=O)C(F)(F)F)C1CC2CCC1C2
Show InChI InChI=1S/C34H40ClF3N4O7S/c1-18(2)28(30(44)34(36,37)38)39-27(43)17-42(26-16-20-5-6-23(26)15-20)33(47)29(19(3)4)40-31(45)21-7-9-22(10-8-21)32(46)41-50(48,49)25-13-11-24(35)12-14-25/h7-14,18-20,23,26,28-29H,5-6,15-17H2,1-4H3,(H,39,43)(H,40,45)(H,41,46)
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n/an/a 61n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human leukocyte elastase


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


(Homo sapiens (Human))
BDBM50005154
PNG
(CHEMBL423067 | {2-Methyl-1-[2-(3,3,3-trifluoro-1-i...)
Show SMILES CC(C)C(NC(=O)OC(C)(C)C)C(=O)N1CCCC1C(=O)NC(C(C)C)C(=O)C(F)(F)F
Show InChI InChI=1S/C21H34F3N3O5/c1-11(2)14(16(28)21(22,23)24)25-17(29)13-9-8-10-27(13)18(30)15(12(3)4)26-19(31)32-20(5,6)7/h11-15H,8-10H2,1-7H3,(H,25,29)(H,26,31)
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n/an/a 65n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human leukocyte elastase


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


(Homo sapiens (Human))
BDBM50005156
PNG
(4-(4-Chloro-benzenesulfonylaminocarbonyl)-N-(1-{cy...)
Show SMILES CC(C)C(NC(=O)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N(CC(=O)NC(C(C)C)C(=O)C(F)(F)F)C1CCCCCCC1
Show InChI InChI=1S/C35H44ClF3N4O7S/c1-21(2)29(31(45)35(37,38)39)40-28(44)20-43(26-10-8-6-5-7-9-11-26)34(48)30(22(3)4)41-32(46)23-12-14-24(15-13-23)33(47)42-51(49,50)27-18-16-25(36)17-19-27/h12-19,21-22,26,29-30H,5-11,20H2,1-4H3,(H,40,44)(H,41,46)(H,42,47)
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n/an/a 67n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human leukocyte elastase


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


(Homo sapiens (Human))
BDBM50005152
PNG
(CHEMBL160365 | {2-Methyl-1-[3-(3,3,3-trifluoro-1-i...)
Show SMILES CC(C)C(NC(=O)OCc1ccccc1)C(=O)N1Cc2ccccc2CC1C(=O)NC(C(C)C)C(=O)C(F)(F)F
Show InChI InChI=1S/C29H34F3N3O5/c1-17(2)23(25(36)29(30,31)32)33-26(37)22-14-20-12-8-9-13-21(20)15-35(22)27(38)24(18(3)4)34-28(39)40-16-19-10-6-5-7-11-19/h5-13,17-18,22-24H,14-16H2,1-4H3,(H,33,37)(H,34,39)
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n/an/a 73n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human leukocyte elastase


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


(Homo sapiens (Human))
BDBM50005178
PNG
(4-(4-Chloro-benzenesulfonylaminocarbonyl)-N-(2-met...)
Show SMILES CC(C)C(NC(=O)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NCC(=O)NC(C(C)C)C(=O)C(F)(F)F
Show InChI InChI=1S/C27H30ClF3N4O7S/c1-14(2)21(23(37)27(29,30)31)33-20(36)13-32-26(40)22(15(3)4)34-24(38)16-5-7-17(8-6-16)25(39)35-43(41,42)19-11-9-18(28)10-12-19/h5-12,14-15,21-22H,13H2,1-4H3,(H,32,40)(H,33,36)(H,34,38)(H,35,39)
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n/an/a 73n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human leukocyte elastase


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


(Homo sapiens (Human))
BDBM50005164
PNG
(4-(4-Chloro-benzenesulfonylaminocarbonyl)-N-(1-{[2...)
Show SMILES COc1ccc(CCN(CC(=O)NC(C(C)C)C(=O)C(F)(F)F)C(=O)C(NC(=O)c2ccc(cc2)C(=O)NS(=O)(=O)c2ccc(Cl)cc2)C(C)C)cc1OC
Show InChI InChI=1S/C37H42ClF3N4O9S/c1-21(2)31(33(47)37(39,40)41)42-30(46)20-45(18-17-23-7-16-28(53-5)29(19-23)54-6)36(50)32(22(3)4)43-34(48)24-8-10-25(11-9-24)35(49)44-55(51,52)27-14-12-26(38)13-15-27/h7-16,19,21-22,31-32H,17-18,20H2,1-6H3,(H,42,46)(H,43,48)(H,44,49)
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n/an/a 84n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human leukocyte elastase


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


(Homo sapiens (Human))
BDBM50004184
PNG
(4-(4-Chloro-benzenesulfonylaminocarbonyl)-N-((S)-1...)
Show SMILES CC(C)[C@H](NC(=O)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N(CC(=O)NC(C(C)C)C(=O)C(F)(F)F)C1Cc2ccccc2C1
Show InChI InChI=1S/C36H38ClF3N4O7S/c1-20(2)30(32(46)36(38,39)40)41-29(45)19-44(27-17-24-7-5-6-8-25(24)18-27)35(49)31(21(3)4)42-33(47)22-9-11-23(12-10-22)34(48)43-52(50,51)28-15-13-26(37)14-16-28/h5-16,20-21,27,30-31H,17-19H2,1-4H3,(H,41,45)(H,42,47)(H,43,48)/t30?,31-/m0/s1
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n/an/a 84n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human leukocyte elastase


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


(Homo sapiens (Human))
BDBM50005153
PNG
(4-(4-Chloro-benzenesulfonylaminocarbonyl)-N-(1-{cy...)
Show SMILES CC(C)C(NC(=O)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N(CC(=O)NC(C(C)C)C(=O)C(F)(F)F)C1CCCC1
Show InChI InChI=1S/C32H38ClF3N4O7S/c1-18(2)26(28(42)32(34,35)36)37-25(41)17-40(23-7-5-6-8-23)31(45)27(19(3)4)38-29(43)20-9-11-21(12-10-20)30(44)39-48(46,47)24-15-13-22(33)14-16-24/h9-16,18-19,23,26-27H,5-8,17H2,1-4H3,(H,37,41)(H,38,43)(H,39,44)
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n/an/a 92n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human leukocyte elastase


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


(Homo sapiens (Human))
BDBM50005169
PNG
(3-Acetoxymethyl-7-acetyl-5,5-dihydroxy-8-oxo-5lamb...)
Show SMILES CC(=O)OCC1=C(N2C([C@H](C(C)=O)C2=O)S(=O)(=O)C1)C(=O)OC(C)(C)C
Show InChI InChI=1S/C16H21NO8S/c1-8(18)11-13(20)17-12(15(21)25-16(3,4)5)10(6-24-9(2)19)7-26(22,23)14(11)17/h11H,6-7H2,1-5H3,(H-,22,23)/t11-/m1/s1
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n/an/a 107n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human leukocyte elastase


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


(Homo sapiens (Human))
BDBM50005149
PNG
(2-{2-[4-(4-Chloro-benzenesulfonylaminocarbonyl)-be...)
Show SMILES CC(C)C(NC(=O)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N1Cc2ccccc2CC1C(=O)NC(C(C)C)C(=O)C(F)(F)F
Show InChI InChI=1S/C35H36ClF3N4O7S/c1-19(2)28(30(44)35(37,38)39)40-33(47)27-17-23-7-5-6-8-24(23)18-43(27)34(48)29(20(3)4)41-31(45)21-9-11-22(12-10-21)32(46)42-51(49,50)26-15-13-25(36)14-16-26/h5-16,19-20,27-29H,17-18H2,1-4H3,(H,40,47)(H,41,45)(H,42,46)
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n/an/a 110n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human leukocyte elastase


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


(Homo sapiens (Human))
BDBM50005167
PNG
(4-(4-Chloro-benzenesulfonylaminocarbonyl)-N-(1-{fu...)
Show SMILES CC(C)C(NC(=O)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N(CC(=O)NC(C(C)C)C(=O)C(F)(F)F)Cc1ccco1
Show InChI InChI=1S/C32H34ClF3N4O8S/c1-18(2)26(28(42)32(34,35)36)37-25(41)17-40(16-23-6-5-15-48-23)31(45)27(19(3)4)38-29(43)20-7-9-21(10-8-20)30(44)39-49(46,47)24-13-11-22(33)12-14-24/h5-15,18-19,26-27H,16-17H2,1-4H3,(H,37,41)(H,38,43)(H,39,44)
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n/an/a 138n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human leukocyte elastase


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


(Homo sapiens (Human))
BDBM50005168
PNG
(4-(4-Bromo-benzenesulfonylaminocarbonyl)-N-(1-{ind...)
Show SMILES CC(C)C(NC(=O)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(Br)cc1)C(=O)N(CC(=O)NC(C(C)C)C(=O)C(F)(F)F)C1Cc2ccccc2C1
Show InChI InChI=1S/C36H38BrF3N4O7S/c1-20(2)30(32(46)36(38,39)40)41-29(45)19-44(27-17-24-7-5-6-8-25(24)18-27)35(49)31(21(3)4)42-33(47)22-9-11-23(12-10-22)34(48)43-52(50,51)28-15-13-26(37)14-16-28/h5-16,20-21,27,30-31H,17-19H2,1-4H3,(H,41,45)(H,42,47)(H,43,48)
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n/an/a 149n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human leukocyte elastase


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


(Homo sapiens (Human))
BDBM50005144
PNG
((2-Methyl-1-{methyl-[(3,3,3-trifluoro-1-isopropyl-...)
Show SMILES CC(C)C(NC(=O)OCc1ccccc1)C(=O)N(C)CC(=O)NC(C(C)C)C(=O)C(F)(F)F
Show InChI InChI=1S/C22H30F3N3O5/c1-13(2)17(19(30)22(23,24)25)26-16(29)11-28(5)20(31)18(14(3)4)27-21(32)33-12-15-9-7-6-8-10-15/h6-10,13-14,17-18H,11-12H2,1-5H3,(H,26,29)(H,27,32)
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n/an/a 153n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human leukocyte elastase


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


(Homo sapiens (Human))
BDBM50005148
PNG
((2-Methyl-1-{[(3,3,3-trifluoro-1-isopropyl-2-oxo-p...)
Show SMILES CC(C)C(NC(=O)OC(C)(C)C)C(=O)NCC(=O)NC(C(C)C)C(=O)C(F)(F)F
Show InChI InChI=1S/C18H30F3N3O5/c1-9(2)12(14(26)18(19,20)21)23-11(25)8-22-15(27)13(10(3)4)24-16(28)29-17(5,6)7/h9-10,12-13H,8H2,1-7H3,(H,22,27)(H,23,25)(H,24,28)
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n/an/a 153n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human leukocyte elastase


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


(Homo sapiens (Human))
BDBM50005155
PNG
((1-{Cyclopentyl-[(3,3,3-trifluoro-1-isopropyl-2-ox...)
Show SMILES CC(C)C(NC(=O)OCc1ccccc1)C(=O)N(CC(=O)NC(C(C)C)C(=O)C(F)(F)F)C1CCCC1
Show InChI InChI=1S/C26H36F3N3O5/c1-16(2)21(23(34)26(27,28)29)30-20(33)14-32(19-12-8-9-13-19)24(35)22(17(3)4)31-25(36)37-15-18-10-6-5-7-11-18/h5-7,10-11,16-17,19,21-22H,8-9,12-15H2,1-4H3,(H,30,33)(H,31,36)
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n/an/a 156n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human leukocyte elastase


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


(Homo sapiens (Human))
BDBM50005154
PNG
(CHEMBL423067 | {2-Methyl-1-[2-(3,3,3-trifluoro-1-i...)
Show SMILES CC(C)C(NC(=O)OC(C)(C)C)C(=O)N1CCCC1C(=O)NC(C(C)C)C(=O)C(F)(F)F
Show InChI InChI=1S/C21H34F3N3O5/c1-11(2)14(16(28)21(22,23)24)25-17(29)13-9-8-10-27(13)18(30)15(12(3)4)26-19(31)32-20(5,6)7/h11-15H,8-10H2,1-7H3,(H,25,29)(H,26,31)
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n/an/a 172n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human leukocyte elastase


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


(Homo sapiens (Human))
BDBM50005145
PNG
(4-(4-Chloro-benzenesulfonylaminocarbonyl)-N-(1-{cy...)
Show SMILES CC(C)C(NC(=O)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N(CC(=O)NC(C(C)C)C(=O)C(F)(F)F)C1CCCCCC1
Show InChI InChI=1S/C34H42ClF3N4O7S/c1-20(2)28(30(44)34(36,37)38)39-27(43)19-42(25-9-7-5-6-8-10-25)33(47)29(21(3)4)40-31(45)22-11-13-23(14-12-22)32(46)41-50(48,49)26-17-15-24(35)16-18-26/h11-18,20-21,25,28-29H,5-10,19H2,1-4H3,(H,39,43)(H,40,45)(H,41,46)
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n/an/a 175n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human leukocyte elastase


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


(Homo sapiens (Human))
BDBM50005175
PNG
(CHEMBL159116 | N-(1-{Benzyl-[(3,3,3-trifluoro-1-is...)
Show SMILES CC(C)C(NC(=O)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N(CC(=O)NC(C(C)C)C(=O)C(F)(F)F)Cc1ccccc1
Show InChI InChI=1S/C34H36ClF3N4O7S/c1-20(2)28(30(44)34(36,37)38)39-27(43)19-42(18-22-8-6-5-7-9-22)33(47)29(21(3)4)40-31(45)23-10-12-24(13-11-23)32(46)41-50(48,49)26-16-14-25(35)15-17-26/h5-17,20-21,28-29H,18-19H2,1-4H3,(H,39,43)(H,40,45)(H,41,46)
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n/an/a 217n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human leukocyte elastase


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


(Homo sapiens (Human))
BDBM50005152
PNG
(CHEMBL160365 | {2-Methyl-1-[3-(3,3,3-trifluoro-1-i...)
Show SMILES CC(C)C(NC(=O)OCc1ccccc1)C(=O)N1Cc2ccccc2CC1C(=O)NC(C(C)C)C(=O)C(F)(F)F
Show InChI InChI=1S/C29H34F3N3O5/c1-17(2)23(25(36)29(30,31)32)33-26(37)22-14-20-12-8-9-13-21(20)15-35(22)27(38)24(18(3)4)34-28(39)40-16-19-10-6-5-7-11-19/h5-13,17-18,22-24H,14-16H2,1-4H3,(H,33,37)(H,34,39)
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n/an/a 233n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human leukocyte elastase


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


(Homo sapiens (Human))
BDBM50004187
PNG
(((S)-1-{Indan-2-yl-[(3,3,3-trifluoro-1-isopropyl-2...)
Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N(CC(=O)NC(C(C)C)C(=O)C(F)(F)F)C1Cc2ccccc2C1
Show InChI InChI=1S/C30H36F3N3O5/c1-18(2)25(27(38)30(31,32)33)34-24(37)16-36(23-14-21-12-8-9-13-22(21)15-23)28(39)26(19(3)4)35-29(40)41-17-20-10-6-5-7-11-20/h5-13,18-19,23,25-26H,14-17H2,1-4H3,(H,34,37)(H,35,40)/t25?,26-/m0/s1
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n/an/a 365n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human leukocyte elastase


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


(Homo sapiens (Human))
BDBM50005170
PNG
(CHEMBL158647 | N-{4-[(1-{Indan-2-yl-[(3,3,3-triflu...)
Show SMILES CCOC(=O)CCC(=O)Nc1nc(cs1)C(=N/OC)\C(=O)NC(C(C)C)C(=O)N(CC(=O)NC(C(C)C)C(=O)C(F)(F)F)C1Cc2ccccc2C1
Show InChI InChI=1S/C34H43F3N6O8S/c1-7-51-26(46)13-12-24(44)40-33-38-23(17-52-33)29(42-50-6)31(48)41-28(19(4)5)32(49)43(22-14-20-10-8-9-11-21(20)15-22)16-25(45)39-27(18(2)3)30(47)34(35,36)37/h8-11,17-19,22,27-28H,7,12-16H2,1-6H3,(H,39,45)(H,41,48)(H,38,40,44)/b42-29+
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n/an/a 452n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human leukocyte elastase


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


(Homo sapiens (Human))
BDBM50005158
PNG
(4-{(2-Benzyloxycarbonylamino-3-methyl-butyryl)-[(3...)
Show SMILES CCOC(=O)N1CCC(CC1)N(CC(=O)NC(C(C)C)C(=O)C(F)(F)F)C(=O)C(NC(=O)OCc1ccccc1)C(C)C
Show InChI InChI=1S/C29H41F3N4O7/c1-6-42-28(41)35-14-12-21(13-15-35)36(16-22(37)33-23(18(2)3)25(38)29(30,31)32)26(39)24(19(4)5)34-27(40)43-17-20-10-8-7-9-11-20/h7-11,18-19,21,23-24H,6,12-17H2,1-5H3,(H,33,37)(H,34,40)
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n/an/a 507n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human leukocyte elastase


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


(Homo sapiens (Human))
BDBM50005177
PNG
((1-{[2-(3,4-Dimethoxy-phenyl)-ethyl]-[(3,3,3-trifl...)
Show SMILES COc1ccc(CCN(CC(=O)NC(C(C)C)C(=O)C(F)(F)F)C(=O)C(NC(=O)OCc2ccccc2)C(C)C)cc1OC
Show InChI InChI=1S/C31H40F3N3O7/c1-19(2)26(28(39)31(32,33)34)35-25(38)17-37(15-14-21-12-13-23(42-5)24(16-21)43-6)29(40)27(20(3)4)36-30(41)44-18-22-10-8-7-9-11-22/h7-13,16,19-20,26-27H,14-15,17-18H2,1-6H3,(H,35,38)(H,36,41)
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n/an/a 693n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human leukocyte elastase


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


(Homo sapiens (Human))
BDBM50005151
PNG
(4-(4-Chloro-benzenesulfonylaminocarbonyl)-N-(1-{in...)
Show SMILES CC(C)C(NC(=O)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N(CC(=O)NC(C)C(=O)C(F)(F)F)C1Cc2ccccc2C1
Show InChI InChI=1S/C34H34ClF3N4O7S/c1-19(2)29(40-31(45)21-8-10-22(11-9-21)32(46)41-50(48,49)27-14-12-25(35)13-15-27)33(47)42(26-16-23-6-4-5-7-24(23)17-26)18-28(43)39-20(3)30(44)34(36,37)38/h4-15,19-20,26,29H,16-18H2,1-3H3,(H,39,43)(H,40,45)(H,41,46)
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n/an/a 817n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human leukocyte elastase


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


(Homo sapiens (Human))
BDBM50005146
PNG
((1-{Indan-2-yl-[(3,3,3-trifluoro-1-isopropyl-2-oxo...)
Show SMILES CC(C)C(NC(=O)CN(C1Cc2ccccc2C1)C(=O)C(C(C)C)N(C)C(=O)OCc1ccccc1)C(=O)C(F)(F)F
Show InChI InChI=1S/C31H38F3N3O5/c1-19(2)26(28(39)31(32,33)34)35-25(38)17-37(24-15-22-13-9-10-14-23(22)16-24)29(40)27(20(3)4)36(5)30(41)42-18-21-11-7-6-8-12-21/h6-14,19-20,24,26-27H,15-18H2,1-5H3,(H,35,38)
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n/an/a 1.56E+3n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human leukocyte elastase


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


(Homo sapiens (Human))
BDBM50005162
PNG
(4-(4-Chloro-benzenesulfonylaminocarbonyl)-N-(1-{in...)
Show SMILES CC(C)C(NC(=O)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N(CC(=O)NC(C)(C)C(=O)C(F)(F)F)C1Cc2ccccc2C1
Show InChI InChI=1S/C35H36ClF3N4O7S/c1-20(2)29(40-30(45)21-9-11-22(12-10-21)31(46)42-51(49,50)27-15-13-25(36)14-16-27)32(47)43(26-17-23-7-5-6-8-24(23)18-26)19-28(44)41-34(3,4)33(48)35(37,38)39/h5-16,20,26,29H,17-19H2,1-4H3,(H,40,45)(H,41,44)(H,42,46)
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n/an/a>5.00E+3n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human leukocyte elastase


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


(Homo sapiens (Human))
BDBM50005150
PNG
(4-(4-Chloro-benzenesulfonylaminocarbonyl)-N-(1-{in...)
Show SMILES CC(C)C(NCCN(C1Cc2ccccc2C1)C(=O)C(NC(=O)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(Cl)cc1)C(C)C)C(=O)C(F)(F)F
Show InChI InChI=1S/C36H40ClF3N4O6S/c1-21(2)30(32(45)36(38,39)40)41-17-18-44(28-19-25-7-5-6-8-26(25)20-28)35(48)31(22(3)4)42-33(46)23-9-11-24(12-10-23)34(47)43-51(49,50)29-15-13-27(37)14-16-29/h5-16,21-22,28,30-31,41H,17-20H2,1-4H3,(H,42,46)(H,43,47)
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n/an/a 5.00E+3n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human leukocyte elastase


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


(Homo sapiens (Human))
BDBM50005161
PNG
(CHEMBL347458 | N-(1-{[(1-Benzyl-3,3,3-trifluoro-2-...)
Show SMILES CC(C)C(NC(=O)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N(CC(=O)NC(Cc1ccccc1)C(=O)C(F)(F)F)C1Cc2ccccc2C1
Show InChI InChI=1S/C40H38ClF3N4O7S/c1-24(2)35(46-37(51)26-12-14-27(15-13-26)38(52)47-56(54,55)32-18-16-30(41)17-19-32)39(53)48(31-21-28-10-6-7-11-29(28)22-31)23-34(49)45-33(36(50)40(42,43)44)20-25-8-4-3-5-9-25/h3-19,24,31,33,35H,20-23H2,1-2H3,(H,45,49)(H,46,51)(H,47,52)
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n/an/a>5.00E+3n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human leukocyte elastase


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


(Homo sapiens (Human))
BDBM50005173
PNG
((3,3,3-Trifluoro-1-isopropyl-2-oxo-propyl)-carbami...)
Show SMILES CC(C)C(NC(=O)OCc1ccccc1)C(=O)C(F)(F)F
Show InChI InChI=1S/C14H16F3NO3/c1-9(2)11(12(19)14(15,16)17)18-13(20)21-8-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3,(H,18,20)
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n/an/a>5.00E+3n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human leukocyte elastase


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


(Homo sapiens (Human))
BDBM50005160
PNG
(CHEMBL348882 | Indan-2-yl-[(3,3,3-trifluoro-1-isop...)
Show SMILES CC(C)C(NC(=O)CN(C1Cc2ccccc2C1)C(=O)OCc1ccccc1)C(=O)C(F)(F)F
Show InChI InChI=1S/C25H27F3N2O4/c1-16(2)22(23(32)25(26,27)28)29-21(31)14-30(20-12-18-10-6-7-11-19(18)13-20)24(33)34-15-17-8-4-3-5-9-17/h3-11,16,20,22H,12-15H2,1-2H3,(H,29,31)
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n/an/a>5.00E+3n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human leukocyte elastase


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


(Homo sapiens (Human))
BDBM50005157
PNG
((1-{Indan-2-yl-[2-(3,3,3-trifluoro-1-isopropyl-2-o...)
Show SMILES CC(C)C(NCCN(C1Cc2ccccc2C1)C(=O)C(NC(=O)OC(C)(C)C)C(C)C)C(=O)C(F)(F)F
Show InChI InChI=1S/C27H40F3N3O4/c1-16(2)21(23(34)27(28,29)30)31-12-13-33(20-14-18-10-8-9-11-19(18)15-20)24(35)22(17(3)4)32-25(36)37-26(5,6)7/h8-11,16-17,20-22,31H,12-15H2,1-7H3,(H,32,36)
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n/an/a>5.00E+3n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human leukocyte elastase


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


(Homo sapiens (Human))
BDBM50005172
PNG
((1-{Indan-2-yl-[(3,3,3-trifluoro-2-oxo-propylcarba...)
Show SMILES CC(C)C(NC(=O)OCc1ccccc1)C(=O)N(CC(=O)NCC(=O)C(F)(F)F)C1Cc2ccccc2C1
Show InChI InChI=1S/C27H30F3N3O5/c1-17(2)24(32-26(37)38-16-18-8-4-3-5-9-18)25(36)33(15-23(35)31-14-22(34)27(28,29)30)21-12-19-10-6-7-11-20(19)13-21/h3-11,17,21,24H,12-16H2,1-2H3,(H,31,35)(H,32,37)
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n/an/a>5.00E+3n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human leukocyte elastase


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More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50005165
PNG
(CHEMBL345792 | [1-(Indan-2-yl-{[2-methyl-1-(4-trif...)
Show SMILES CC(C)C(NC(=O)OCc1ccccc1)C(=O)N(CC(=O)N[C@@H](C(C)C)C(=O)c1ccc(cc1)C(F)(F)F)C1Cc2ccccc2C1
Show InChI InChI=1S/C36H40F3N3O5/c1-22(2)31(33(44)25-14-16-28(17-15-25)36(37,38)39)40-30(43)20-42(29-18-26-12-8-9-13-27(26)19-29)34(45)32(23(3)4)41-35(46)47-21-24-10-6-5-7-11-24/h5-17,22-23,29,31-32H,18-21H2,1-4H3,(H,40,43)(H,41,46)/t31-,32?/m0/s1
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n/an/a>5.00E+3n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human leukocyte elastase


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


(Homo sapiens (Human))
BDBM50005163
PNG
(4-(4-Chloro-benzenesulfonylaminocarbonyl)-N-[1-(in...)
Show SMILES CC(C)C(NC(=O)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N(CC(=O)N[C@@H](C(C)C)C(=O)c1ccc(cc1)C(F)(F)F)C1Cc2ccccc2C1
Show InChI InChI=1S/C42H42ClF3N4O7S/c1-24(2)36(38(52)26-13-15-31(16-14-26)42(44,45)46)47-35(51)23-50(33-21-29-7-5-6-8-30(29)22-33)41(55)37(25(3)4)48-39(53)27-9-11-28(12-10-27)40(54)49-58(56,57)34-19-17-32(43)18-20-34/h5-20,24-25,33,36-37H,21-23H2,1-4H3,(H,47,51)(H,48,53)(H,49,54)/t36-,37?/m0/s1
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n/an/a 5.10E+3n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human leukocyte elastase


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