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16 similar compounds to monomer 50005164

Compile data set for download or QSAR
Wt: 763.2
BDBM50004184
Wt: 647.0
BDBM50005178
Wt: 743.2
BDBM50005145
Wt: 749.2
BDBM50005150
Wt: 735.1
BDBM50005151
Wt: 715.1
BDBM50005153
Wt: 757.2
BDBM50005156
Wt: 811.2
BDBM50005161
Wt: 749.1
BDBM50005162
Wt: 661.0
BDBM50005166
Wt: 741.2
BDBM50005174
Wt: 737.1
BDBM50005175
Wt: 687.1
BDBM50031201
Wt: 687.1
BDBM50035500
Wt: 1016.6
BDBM50058482
Displayed 1 to 15 (of 16 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 21 hits for monomerid = 50004184,50005178,50005145,50005150,50005151,50005153,50005156,50005161,50005162,50005166,50005174,50005175,50031201,50035500,50058482   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Leukocyte elastase


(Homo sapiens (Human))
BDBM50035500
PNG
((S)-1-{(S)-2-[4-(4-Chloro-benzenesulfonylaminocarb...)
Show SMILES CC(C)[C@H](NC(=O)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N1CCC[C@H]1C(=O)NC(C(C)C)C(=O)C(F)(F)F
Show InChI InChI=1S/C30H34ClF3N4O7S/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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0.200n/an/an/an/an/an/an/an/a



Bayer HealthCare AG

Curated by ChEMBL


Assay Description
Inhibition of neutrophil elastase in human whole blood using MeO-Succ-Ala-Ala-Pro-Val-pNA as substrate after 30 mins by colorimetric analysis


Bioorg Med Chem Lett 25: 4370-81 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.049
BindingDB Entry DOI: 10.7270/Q29Z96PX
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50035500
PNG
((S)-1-{(S)-2-[4-(4-Chloro-benzenesulfonylaminocarb...)
Show SMILES CC(C)[C@H](NC(=O)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N1CCC[C@H]1C(=O)NC(C(C)C)C(=O)C(F)(F)F
Show InChI InChI=1S/C30H34ClF3N4O7S/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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0.5n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against Human Neutrophil Elastase using acute lung injury model (ALIM) assay


J Med Chem 40: 1876-85 (1997)


Article DOI: 10.1021/jm960819g
BindingDB Entry DOI: 10.7270/Q2X92BZJ
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50031201
PNG
((S)-1-{(S)-2-[4-(4-Chloro-benzenesulfonylaminocarb...)
Show SMILES CC(C)[C@H](NC(=O)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)F
Show InChI InChI=1S/C30H34ClF3N4O7S/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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0.5n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human neutrophil elastase-catalyzed hydrolysis of the synthetic substrate MeO-Suc-Ala-Ala-Pro-Val-pNa


J Med Chem 38: 3972-82 (1995)


Article DOI: 10.1021/jm00020a011
BindingDB Entry DOI: 10.7270/Q2T152NN
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50035500
PNG
((S)-1-{(S)-2-[4-(4-Chloro-benzenesulfonylaminocarb...)
Show SMILES CC(C)[C@H](NC(=O)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N1CCC[C@H]1C(=O)NC(C(C)C)C(=O)C(F)(F)F
Show InChI InChI=1S/C30H34ClF3N4O7S/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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0.5n/an/an/an/an/an/an/an/a



Marion Merrell Dow Research Institute

Curated by ChEMBL


Assay Description
Binding affinity of the compound for purified Human neutrophil elastase was determined in vitro.


J Med Chem 38: 223-33 (1995)


Article DOI: 10.1021/jm00002a003
BindingDB Entry DOI: 10.7270/Q2CC0ZPC
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50035500
PNG
((S)-1-{(S)-2-[4-(4-Chloro-benzenesulfonylaminocarb...)
Show SMILES CC(C)[C@H](NC(=O)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N1CCC[C@H]1C(=O)NC(C(C)C)C(=O)C(F)(F)F
Show InChI InChI=1S/C30H34ClF3N4O7S/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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3n/an/an/an/an/an/an/an/a



Marion Merrell Dow Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of human neutrophil elastase


J Med Chem 37: 4538-53 (1995)


Article DOI: 10.1021/jm00052a013
BindingDB Entry DOI: 10.7270/Q28P615X
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


J Med Chem 35: 641-62 (1992)


Article DOI: 10.1021/jm00082a005
BindingDB Entry DOI: 10.7270/Q2K074X9
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


J Med Chem 35: 641-62 (1992)


Article DOI: 10.1021/jm00082a005
BindingDB Entry DOI: 10.7270/Q2K074X9
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


J Med Chem 35: 641-62 (1992)


Article DOI: 10.1021/jm00082a005
BindingDB Entry DOI: 10.7270/Q2K074X9
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


J Med Chem 35: 641-62 (1992)


Article DOI: 10.1021/jm00082a005
BindingDB Entry DOI: 10.7270/Q2K074X9
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


J Med Chem 35: 641-62 (1992)


Article DOI: 10.1021/jm00082a005
BindingDB Entry DOI: 10.7270/Q2K074X9
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


J Med Chem 35: 641-62 (1992)


Article DOI: 10.1021/jm00082a005
BindingDB Entry DOI: 10.7270/Q2K074X9
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


J Med Chem 35: 641-62 (1992)


Article DOI: 10.1021/jm00082a005
BindingDB Entry DOI: 10.7270/Q2K074X9
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


J Med Chem 35: 641-62 (1992)


Article DOI: 10.1021/jm00082a005
BindingDB Entry DOI: 10.7270/Q2K074X9
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


J Med Chem 35: 641-62 (1992)


Article DOI: 10.1021/jm00082a005
BindingDB Entry DOI: 10.7270/Q2K074X9
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


J Med Chem 35: 641-62 (1992)


Article DOI: 10.1021/jm00082a005
BindingDB Entry DOI: 10.7270/Q2K074X9
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


J Med Chem 35: 641-62 (1992)


Article DOI: 10.1021/jm00082a005
BindingDB Entry DOI: 10.7270/Q2K074X9
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


J Med Chem 35: 641-62 (1992)


Article DOI: 10.1021/jm00082a005
BindingDB Entry DOI: 10.7270/Q2K074X9
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



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human leukocyte elastase


Bioorg Med Chem Lett 3: 773-778 (1993)


Article DOI: 10.1016/S0960-894X(01)81273-7
BindingDB Entry DOI: 10.7270/Q2FJ2GQ4
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50058482
PNG
((S)-1-{(R)-2-[4-(4-Chloro-benzenesulfonylaminocarb...)
Show SMILES CC(C)C(NC(=O)[C@@H]1CC2CCCCC2N1C(=O)[C@@H](CCCCNC(=O)Cc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C)NC(=O)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(Cl)cc1)C(=O)C(F)(F)F
Show InChI InChI=1S/C51H65ClF3N5O9S/c1-29(2)42(44(63)51(53,54)55)58-47(66)40-28-33-13-9-10-15-39(33)60(40)48(67)38(14-11-12-24-56-41(61)27-30-25-36(49(3,4)5)43(62)37(26-30)50(6,7)8)57-45(64)31-16-18-32(19-17-31)46(65)59-70(68,69)35-22-20-34(52)21-23-35/h16-23,25-26,29,33,38-40,42,62H,9-15,24,27-28H2,1-8H3,(H,56,61)(H,57,64)(H,58,66)(H,59,65)/t33?,38-,39?,40+,42?/m1/s1
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n/an/a 70n/an/an/an/an/an/a



Institut de Recherche Servier

Curated by ChEMBL


Assay Description
Inhibitory concentration against Human Leukocyte Elastase from human sputum


J Med Chem 40: 1906-18 (1997)


Article DOI: 10.1021/jm960772z
BindingDB Entry DOI: 10.7270/Q2MS3RW1
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/a7.5n/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against human leukocyte elastase (HLE) at pH 7.5


J Med Chem 35: 4795-808 (1993)


Article DOI: 10.1021/jm00104a004
BindingDB Entry DOI: 10.7270/Q2HX1BM5
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50031201
PNG
((S)-1-{(S)-2-[4-(4-Chloro-benzenesulfonylaminocarb...)
Show SMILES CC(C)[C@H](NC(=O)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)F
Show InChI InChI=1S/C30H34ClF3N4O7S/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 34n/an/an/an/an/an/a



Institut de Recherche Servier

Curated by ChEMBL


Assay Description
Inhibitory concentration against Human Leukocyte Elastase from human sputum


J Med Chem 40: 1906-18 (1997)


Article DOI: 10.1021/jm960772z
BindingDB Entry DOI: 10.7270/Q2MS3RW1
More data for this
Ligand-Target Pair