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21 similar compounds to monomer 50005161

Compile data set for download or QSAR
Wt: 763.2
BDBM50004184
Wt: 817.2
BDBM50004185
Wt: 865.3
BDBM50004188
Wt: 647.0
BDBM50005178
Wt: 743.2
BDBM50005145
Wt: 749.1
BDBM50005149
Wt: 749.2
BDBM50005150
Wt: 735.1
BDBM50005151
Wt: 715.1
BDBM50005153
Wt: 757.2
BDBM50005156
Wt: 749.1
BDBM50005162
Wt: 839.3
BDBM50005163
Wt: 811.2
BDBM50005164
Wt: 661.0
BDBM50005166
Wt: 807.6
BDBM50005168
Displayed 1 to 15 (of 21 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 17 hits for monomerid = 50004184,50004185,50004188,50005178,50005145,50005149,50005150,50005151,50005153,50005156,50005162,50005163,50005164,50005166,50005168   
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))
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))
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))
BDBM50004188
PNG
(4-[2-({2-[4-(4-Chloro-benzenesulfonylaminocarbonyl...)
Show SMILES CCOC(=O)C(F)(F)C(=O)C(Cc1ccccc1)NC(=O)CN(C1Cc2ccccc2C1)C(=O)C(NC(=O)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(Cl)cc1)C(C)C
Show InChI InChI=1S/C43H43ClF2N4O9S/c1-4-59-42(56)43(45,46)38(52)35(22-27-10-6-5-7-11-27)47-36(51)25-50(33-23-30-12-8-9-13-31(30)24-33)41(55)37(26(2)3)48-39(53)28-14-16-29(17-15-28)40(54)49-60(57,58)34-20-18-32(44)19-21-34/h5-21,26,33,35,37H,4,22-25H2,1-3H3,(H,47,51)(H,48,53)(H,49,54)
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n/an/a>5.00E+3n/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))
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))
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))
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


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))
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))
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))
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


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))
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


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))
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))
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


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))
BDBM50004185
PNG
(4-[2-({2-[4-(4-Chloro-benzenesulfonylaminocarbonyl...)
Show SMILES CCOC(=O)C(F)(F)C(=O)C(NC(=O)CN(C1Cc2ccccc2C1)C(=O)C(NC(=O)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(Cl)cc1)C(C)C)C(C)C
Show InChI InChI=1S/C39H43ClF2N4O9S/c1-6-55-38(52)39(41,42)34(48)32(22(2)3)43-31(47)21-46(29-19-26-9-7-8-10-27(26)20-29)37(51)33(23(4)5)44-35(49)24-11-13-25(14-12-24)36(50)45-56(53,54)30-17-15-28(40)16-18-30/h7-18,22-23,29,32-33H,6,19-21H2,1-5H3,(H,43,47)(H,44,49)(H,45,50)
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n/an/a 404n/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