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Compile Data Set for Download or QSAR

Found 23 hits from A Business Unit of ZENECA Inc.   
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))
BDBM50037100
PNG
(2,2-Dimethyl-propionic acid 3-{5-benzyloxycarbonyl...)
Show SMILES CC(C)C(NC(=O)Cn1cc(Cc2cccc(OC(=O)C(C)(C)C)c2)cc(NC(=O)OCc2ccccc2)c1=O)C(=O)C(F)(F)F
Show InChI InChI=1S/C33H36F3N3O7/c1-20(2)27(28(41)33(34,35)36)38-26(40)18-39-17-23(14-22-12-9-13-24(15-22)46-30(43)32(3,4)5)16-25(29(39)42)37-31(44)45-19-21-10-7-6-8-11-21/h6-13,15-17,20,27H,14,18-19H2,1-5H3,(H,37,44)(H,38,40)
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12n/an/an/an/an/an/an/an/a



A Business Unit of ZENECA Inc.

Curated by ChEMBL


Assay Description
The compound was tested in vitro for ability to inhibit human leukocyte elastase activity


J Med Chem 37: 3090-9 (1994)


Article DOI: 10.1021/jm00045a014
BindingDB Entry DOI: 10.7270/Q2Z0375K
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50037117
PNG
(2,2-Dimethyl-propionic acid 4-{5-benzyloxycarbonyl...)
Show SMILES CC(C)C(NC(=O)Cn1cc(Cc2ccc(OC(=O)C(C)(C)C)cc2)cc(NC(=O)OCc2ccccc2)c1=O)C(=O)C(F)(F)F
Show InChI InChI=1S/C33H36F3N3O7/c1-20(2)27(28(41)33(34,35)36)38-26(40)18-39-17-23(15-21-11-13-24(14-12-21)46-30(43)32(3,4)5)16-25(29(39)42)37-31(44)45-19-22-9-7-6-8-10-22/h6-14,16-17,20,27H,15,18-19H2,1-5H3,(H,37,44)(H,38,40)
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32n/an/an/an/an/an/an/an/a



A Business Unit of ZENECA Inc.

Curated by ChEMBL


Assay Description
The compound was tested in vitro for ability to inhibit human leukocyte elastase activity


J Med Chem 37: 3090-9 (1994)


Article DOI: 10.1021/jm00045a014
BindingDB Entry DOI: 10.7270/Q2Z0375K
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50037111
PNG
(CHEMBL104303 | {5-(4-Hydroxy-benzyl)-2-oxo-1-[(3,3...)
Show SMILES CC(C)C(NC(=O)Cn1cc(Cc2ccc(O)cc2)cc(NC(=O)OCc2ccccc2)c1=O)C(=O)C(F)(F)F
Show InChI InChI=1S/C28H28F3N3O6/c1-17(2)24(25(37)28(29,30)31)33-23(36)15-34-14-20(12-18-8-10-21(35)11-9-18)13-22(26(34)38)32-27(39)40-16-19-6-4-3-5-7-19/h3-11,13-14,17,24,35H,12,15-16H2,1-2H3,(H,32,39)(H,33,36)
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34n/an/an/an/an/an/an/an/a



A Business Unit of ZENECA Inc.

Curated by ChEMBL


Assay Description
The compound was tested in vitro for ability to inhibit human leukocyte elastase activity


J Med Chem 37: 3090-9 (1994)


Article DOI: 10.1021/jm00045a014
BindingDB Entry DOI: 10.7270/Q2Z0375K
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50037102
PNG
(CHEMBL75936 | {2-Oxo-5-[3-(2,2,2-trifluoro-acetyla...)
Show SMILES CC(C)C(NC(=O)Cn1cc(Cc2cccc(NC(=O)C(F)(F)F)c2)cc(NC(=O)OCc2ccccc2)c1=O)C(=O)C(F)(F)F
Show InChI InChI=1S/C30H28F6N4O6/c1-17(2)24(25(42)29(31,32)33)39-23(41)15-40-14-20(11-19-9-6-10-21(12-19)37-27(44)30(34,35)36)13-22(26(40)43)38-28(45)46-16-18-7-4-3-5-8-18/h3-10,12-14,17,24H,11,15-16H2,1-2H3,(H,37,44)(H,38,45)(H,39,41)
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36n/an/an/an/an/an/an/an/a



A Business Unit of ZENECA Inc.

Curated by ChEMBL


Assay Description
The compound was tested in vitro for ability to inhibit human leukocyte elastase activity


J Med Chem 37: 3090-9 (1994)


Article DOI: 10.1021/jm00045a014
BindingDB Entry DOI: 10.7270/Q2Z0375K
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50037110
PNG
(CHEMBL107291 | {5-Benzyl-2-oxo-1-[(3,3,3-trifluoro...)
Show SMILES CC(C)C(NC(=O)Cn1cc(Cc2ccccc2)cc(NC(=O)OCc2ccccc2)c1=O)C(=O)C(F)(F)F
Show InChI InChI=1S/C28H28F3N3O5/c1-18(2)24(25(36)28(29,30)31)33-23(35)16-34-15-21(13-19-9-5-3-6-10-19)14-22(26(34)37)32-27(38)39-17-20-11-7-4-8-12-20/h3-12,14-15,18,24H,13,16-17H2,1-2H3,(H,32,38)(H,33,35)
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40n/an/an/an/an/an/an/an/a



A Business Unit of ZENECA Inc.

Curated by ChEMBL


Assay Description
The compound was tested in vitro for ability to inhibit human leukocyte elastase activity


J Med Chem 37: 3090-9 (1994)


Article DOI: 10.1021/jm00045a014
BindingDB Entry DOI: 10.7270/Q2Z0375K
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50037105
PNG
(Acetic acid 3-{5-benzyloxycarbonylamino-6-oxo-1-[(...)
Show SMILES CC(C)C(NC(=O)Cn1cc(Cc2cccc(OC(C)=O)c2)cc(NC(=O)OCc2ccccc2)c1=O)C(=O)C(F)(F)F
Show InChI InChI=1S/C30H30F3N3O7/c1-18(2)26(27(39)30(31,32)33)35-25(38)16-36-15-22(12-21-10-7-11-23(13-21)43-19(3)37)14-24(28(36)40)34-29(41)42-17-20-8-5-4-6-9-20/h4-11,13-15,18,26H,12,16-17H2,1-3H3,(H,34,41)(H,35,38)
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42n/an/an/an/an/an/an/an/a



A Business Unit of ZENECA Inc.

Curated by ChEMBL


Assay Description
The compound was tested in vitro for ability to inhibit human leukocyte elastase activity


J Med Chem 37: 3090-9 (1994)


Article DOI: 10.1021/jm00045a014
BindingDB Entry DOI: 10.7270/Q2Z0375K
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50037113
PNG
(CHEMBL104289 | [2-Oxo-1-[(3,3,3-trifluoro-1-isopro...)
Show SMILES CC(C)C(NC(=O)Cn1cc(Cc2ccc(cc2)C(F)(F)F)cc(NC(=O)OCc2ccccc2)c1=O)C(=O)C(F)(F)F
Show InChI InChI=1S/C29H27F6N3O5/c1-17(2)24(25(40)29(33,34)35)37-23(39)15-38-14-20(12-18-8-10-21(11-9-18)28(30,31)32)13-22(26(38)41)36-27(42)43-16-19-6-4-3-5-7-19/h3-11,13-14,17,24H,12,15-16H2,1-2H3,(H,36,42)(H,37,39)
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47n/an/an/an/an/an/an/an/a



A Business Unit of ZENECA Inc.

Curated by ChEMBL


Assay Description
The compound was tested in vitro for ability to inhibit human leukocyte elastase activity


J Med Chem 37: 3090-9 (1994)


Article DOI: 10.1021/jm00045a014
BindingDB Entry DOI: 10.7270/Q2Z0375K
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50037116
PNG
(CHEMBL107966 | N-{5-Benzyl-2-oxo-1-[(3,3,3-trifluo...)
Show SMILES CC(C)C(NC(=O)Cn1cc(Cc2ccccc2)cc(NC(=O)C(O)=O)c1=O)C(=O)C(F)(F)F
Show InChI InChI=1S/C22H22F3N3O6/c1-12(2)17(18(30)22(23,24)25)27-16(29)11-28-10-14(8-13-6-4-3-5-7-13)9-15(20(28)32)26-19(31)21(33)34/h3-7,9-10,12,17H,8,11H2,1-2H3,(H,26,31)(H,27,29)(H,33,34)
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48n/an/an/an/an/an/an/an/a



A Business Unit of ZENECA Inc.

Curated by ChEMBL


Assay Description
The compound was tested in vitro for ability to inhibit human leukocyte elastase activity


J Med Chem 37: 3090-9 (1994)


Article DOI: 10.1021/jm00045a014
BindingDB Entry DOI: 10.7270/Q2Z0375K
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50037098
PNG
(CHEMBL104032 | N-{5-Benzyl-2-oxo-1-[(3,3,3-trifluo...)
Show SMILES CC(C)C(NC(=O)Cn1cc(Cc2ccccc2)cc(NC(=O)C(N)=O)c1=O)C(=O)C(F)(F)F
Show InChI InChI=1S/C22H23F3N4O5/c1-12(2)17(18(31)22(23,24)25)28-16(30)11-29-10-14(8-13-6-4-3-5-7-13)9-15(21(29)34)27-20(33)19(26)32/h3-7,9-10,12,17H,8,11H2,1-2H3,(H2,26,32)(H,27,33)(H,28,30)
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51n/an/an/an/an/an/an/an/a



A Business Unit of ZENECA Inc.

Curated by ChEMBL


Assay Description
The compound was tested in vitro for ability to inhibit human leukocyte elastase activity


J Med Chem 37: 3090-9 (1994)


Article DOI: 10.1021/jm00045a014
BindingDB Entry DOI: 10.7270/Q2Z0375K
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50037118
PNG
(CHEMBL106793 | N-{5-Benzyl-2-oxo-1-[(3,3,3-trifluo...)
Show SMILES COC(=O)C(=O)Nc1cc(Cc2ccccc2)cn(CC(=O)NC(C(C)C)C(=O)C(F)(F)F)c1=O
Show InChI InChI=1S/C23H24F3N3O6/c1-13(2)18(19(31)23(24,25)26)28-17(30)12-29-11-15(9-14-7-5-4-6-8-14)10-16(21(29)33)27-20(32)22(34)35-3/h4-8,10-11,13,18H,9,12H2,1-3H3,(H,27,32)(H,28,30)
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70n/an/an/an/an/an/an/an/a



A Business Unit of ZENECA Inc.

Curated by ChEMBL


Assay Description
The compound was tested in vitro for ability to inhibit human leukocyte elastase activity


J Med Chem 37: 3090-9 (1994)


Article DOI: 10.1021/jm00045a014
BindingDB Entry DOI: 10.7270/Q2Z0375K
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50037099
PNG
(CHEMBL104557 | {5-(4-Fluoro-benzyl)-2-oxo-1-[(3,3,...)
Show SMILES CC(C)C(NC(=O)Cn1cc(Cc2ccc(F)cc2)cc(NC(=O)OCc2ccccc2)c1=O)C(=O)C(F)(F)F
Show InChI InChI=1S/C28H27F4N3O5/c1-17(2)24(25(37)28(30,31)32)34-23(36)15-35-14-20(12-18-8-10-21(29)11-9-18)13-22(26(35)38)33-27(39)40-16-19-6-4-3-5-7-19/h3-11,13-14,17,24H,12,15-16H2,1-2H3,(H,33,39)(H,34,36)
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71n/an/an/an/an/an/an/an/a



A Business Unit of ZENECA Inc.

Curated by ChEMBL


Assay Description
The compound was tested in vitro for ability to inhibit human leukocyte elastase activity


J Med Chem 37: 3090-9 (1994)


Article DOI: 10.1021/jm00045a014
BindingDB Entry DOI: 10.7270/Q2Z0375K
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50037106
PNG
(CHEMBL106066 | {5-(3-Fluoro-benzyl)-2-oxo-1-[(3,3,...)
Show SMILES CC(C)C(NC(=O)Cn1cc(Cc2cccc(F)c2)cc(NC(=O)OCc2ccccc2)c1=O)C(=O)C(F)(F)F
Show InChI InChI=1S/C28H27F4N3O5/c1-17(2)24(25(37)28(30,31)32)34-23(36)15-35-14-20(11-19-9-6-10-21(29)12-19)13-22(26(35)38)33-27(39)40-16-18-7-4-3-5-8-18/h3-10,12-14,17,24H,11,15-16H2,1-2H3,(H,33,39)(H,34,36)
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87n/an/an/an/an/an/an/an/a



A Business Unit of ZENECA Inc.

Curated by ChEMBL


Assay Description
The compound was tested in vitro for ability to inhibit human leukocyte elastase activity


J Med Chem 37: 3090-9 (1994)


Article DOI: 10.1021/jm00045a014
BindingDB Entry DOI: 10.7270/Q2Z0375K
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50037107
PNG
(4-{5-Benzyloxycarbonylamino-6-oxo-1-[(3,3,3-triflu...)
Show SMILES COC(=O)c1ccc(Cc2cc(NC(=O)OCc3ccccc3)c(=O)n(CC(=O)NC(C(C)C)C(=O)C(F)(F)F)c2)cc1
Show InChI InChI=1S/C30H30F3N3O7/c1-18(2)25(26(38)30(31,32)33)35-24(37)16-36-15-21(13-19-9-11-22(12-10-19)28(40)42-3)14-23(27(36)39)34-29(41)43-17-20-7-5-4-6-8-20/h4-12,14-15,18,25H,13,16-17H2,1-3H3,(H,34,41)(H,35,37)
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88n/an/an/an/an/an/an/an/a



A Business Unit of ZENECA Inc.

Curated by ChEMBL


Assay Description
The compound was tested in vitro for ability to inhibit human leukocyte elastase activity


J Med Chem 37: 3090-9 (1994)


Article DOI: 10.1021/jm00045a014
BindingDB Entry DOI: 10.7270/Q2Z0375K
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50037103
PNG
(CHEMBL106888 | {5-(3-Hydroxy-benzyl)-2-oxo-1-[(3,3...)
Show SMILES CC(C)C(NC(=O)Cn1cc(Cc2cccc(O)c2)cc(NC(=O)OCc2ccccc2)c1=O)C(=O)C(F)(F)F
Show InChI InChI=1S/C28H28F3N3O6/c1-17(2)24(25(37)28(29,30)31)33-23(36)15-34-14-20(11-19-9-6-10-21(35)12-19)13-22(26(34)38)32-27(39)40-16-18-7-4-3-5-8-18/h3-10,12-14,17,24,35H,11,15-16H2,1-2H3,(H,32,39)(H,33,36)
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89n/an/an/an/an/an/an/an/a



A Business Unit of ZENECA Inc.

Curated by ChEMBL


Assay Description
The compound was tested in vitro for ability to inhibit human leukocyte elastase activity


J Med Chem 37: 3090-9 (1994)


Article DOI: 10.1021/jm00045a014
BindingDB Entry DOI: 10.7270/Q2Z0375K
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50037109
PNG
(CHEMBL13684 | {2-Oxo-1-[(3,3,3-trifluoro-1-isoprop...)
Show SMILES CC(C)C(NC(=O)Cn1cccc(NC(=O)OCc2ccccc2)c1=O)C(=O)C(F)(F)F
Show InChI InChI=1S/C21H22F3N3O5/c1-13(2)17(18(29)21(22,23)24)26-16(28)11-27-10-6-9-15(19(27)30)25-20(31)32-12-14-7-4-3-5-8-14/h3-10,13,17H,11-12H2,1-2H3,(H,25,31)(H,26,28)
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280n/an/an/an/an/an/an/an/a



A Business Unit of ZENECA Inc.

Curated by ChEMBL


Assay Description
The compound was tested in vitro for ability to inhibit human leukocyte elastase activity


J Med Chem 37: 3090-9 (1994)


Article DOI: 10.1021/jm00045a014
BindingDB Entry DOI: 10.7270/Q2Z0375K
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50037097
PNG
(CHEMBL105124 | N-{2-Oxo-1-[(3,3,3-trifluoro-1-isop...)
Show SMILES CC(C)C(NC(=O)Cn1cccc(NC(=O)C(N)=O)c1=O)C(=O)C(F)(F)F
Show InChI InChI=1S/C15H17F3N4O5/c1-7(2)10(11(24)15(16,17)18)21-9(23)6-22-5-3-4-8(14(22)27)20-13(26)12(19)25/h3-5,7,10H,6H2,1-2H3,(H2,19,25)(H,20,26)(H,21,23)
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320n/an/an/an/an/an/an/an/a



A Business Unit of ZENECA Inc.

Curated by ChEMBL


Assay Description
The compound was tested in vitro for ability to inhibit human leukocyte elastase activity


J Med Chem 37: 3090-9 (1994)


Article DOI: 10.1021/jm00045a014
BindingDB Entry DOI: 10.7270/Q2Z0375K
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50037108
PNG
(CHEMBL104050 | N-{2-Oxo-1-[(3,3,3-trifluoro-1-isop...)
Show SMILES CC(C)C(NC(=O)Cn1cccc(NC(=O)C(O)=O)c1=O)C(=O)C(F)(F)F
Show InChI InChI=1S/C15H16F3N3O6/c1-7(2)10(11(23)15(16,17)18)20-9(22)6-21-5-3-4-8(13(21)25)19-12(24)14(26)27/h3-5,7,10H,6H2,1-2H3,(H,19,24)(H,20,22)(H,26,27)
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350n/an/an/an/an/an/an/an/a



A Business Unit of ZENECA Inc.

Curated by ChEMBL


Assay Description
The compound was tested in vitro for ability to inhibit human leukocyte elastase activity


J Med Chem 37: 3090-9 (1994)


Article DOI: 10.1021/jm00045a014
BindingDB Entry DOI: 10.7270/Q2Z0375K
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50037096
PNG
(CHEMBL105067 | N-{2-Oxo-1-[(3,3,3-trifluoro-1-isop...)
Show SMILES COC(=O)C(=O)Nc1cccn(CC(=O)NC(C(C)C)C(=O)C(F)(F)F)c1=O
Show InChI InChI=1S/C16H18F3N3O6/c1-8(2)11(12(24)16(17,18)19)21-10(23)7-22-6-4-5-9(14(22)26)20-13(25)15(27)28-3/h4-6,8,11H,7H2,1-3H3,(H,20,25)(H,21,23)
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500n/an/an/an/an/an/an/an/a



A Business Unit of ZENECA Inc.

Curated by ChEMBL


Assay Description
The compound was tested in vitro for ability to inhibit human leukocyte elastase activity


J Med Chem 37: 3090-9 (1994)


Article DOI: 10.1021/jm00045a014
BindingDB Entry DOI: 10.7270/Q2Z0375K
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50037101
PNG
(CHEMBL322177 | N-{2-Oxo-1-[(3,3,3-trifluoro-1-isop...)
Show SMILES CC(C)C(NC(=O)Cn1cccc(NC(=O)CC(O)=O)c1=O)C(=O)C(F)(F)F
Show InChI InChI=1S/C16H18F3N3O6/c1-8(2)13(14(27)16(17,18)19)21-11(24)7-22-5-3-4-9(15(22)28)20-10(23)6-12(25)26/h3-5,8,13H,6-7H2,1-2H3,(H,20,23)(H,21,24)(H,25,26)
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2.60E+3n/an/an/an/an/an/an/an/a



A Business Unit of ZENECA Inc.

Curated by ChEMBL


Assay Description
The compound was tested in vitro for ability to inhibit human leukocyte elastase activity


J Med Chem 37: 3090-9 (1994)


Article DOI: 10.1021/jm00045a014
BindingDB Entry DOI: 10.7270/Q2Z0375K
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50037112
PNG
(2-(3-Amino-2-oxo-2H-pyridin-1-yl)-N-(3,3,3-trifluo...)
Show SMILES CC(C)C(NC(=O)Cn1cccc(N)c1=O)C(=O)C(F)(F)F
Show InChI InChI=1S/C13H16F3N3O3/c1-7(2)10(11(21)13(14,15)16)18-9(20)6-19-5-3-4-8(17)12(19)22/h3-5,7,10H,6,17H2,1-2H3,(H,18,20)
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2.70E+3n/an/an/an/an/an/an/an/a



A Business Unit of ZENECA Inc.

Curated by ChEMBL


Assay Description
The compound was tested in vitro for ability to inhibit human leukocyte elastase activity


J Med Chem 37: 3090-9 (1994)


Article DOI: 10.1021/jm00045a014
BindingDB Entry DOI: 10.7270/Q2Z0375K
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50037115
PNG
(2-(3-Acetylamino-2-oxo-2H-pyridin-1-yl)-N-(3,3,3-t...)
Show SMILES CC(C)C(NC(=O)Cn1cccc(NC(C)=O)c1=O)C(=O)C(F)(F)F
Show InChI InChI=1S/C15H18F3N3O4/c1-8(2)12(13(24)15(16,17)18)20-11(23)7-21-6-4-5-10(14(21)25)19-9(3)22/h4-6,8,12H,7H2,1-3H3,(H,19,22)(H,20,23)
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2.80E+3n/an/an/an/an/an/an/an/a



A Business Unit of ZENECA Inc.

Curated by ChEMBL


Assay Description
The compound was tested in vitro for ability to inhibit human leukocyte elastase activity


J Med Chem 37: 3090-9 (1994)


Article DOI: 10.1021/jm00045a014
BindingDB Entry DOI: 10.7270/Q2Z0375K
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50037114
PNG
(CHEMBL107329 | N-{2-Oxo-1-[(3,3,3-trifluoro-1-isop...)
Show SMILES CCOC(=O)CC(=O)Nc1cccn(CC(=O)NC(C(C)C)C(=O)C(F)(F)F)c1=O
Show InChI InChI=1S/C18H22F3N3O6/c1-4-30-14(27)8-12(25)22-11-6-5-7-24(17(11)29)9-13(26)23-15(10(2)3)16(28)18(19,20)21/h5-7,10,15H,4,8-9H2,1-3H3,(H,22,25)(H,23,26)
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3.40E+3n/an/an/an/an/an/an/an/a



A Business Unit of ZENECA Inc.

Curated by ChEMBL


Assay Description
The compound was tested in vitro for ability to inhibit human leukocyte elastase activity


J Med Chem 37: 3090-9 (1994)


Article DOI: 10.1021/jm00045a014
BindingDB Entry DOI: 10.7270/Q2Z0375K
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50037104
PNG
(2-(3-Nitro-2-oxo-2H-pyridin-1-yl)-N-(3,3,3-trifluo...)
Show SMILES CC(C)C(NC(=O)Cn1cccc([N+]([O-])=O)c1=O)C(=O)C(F)(F)F
Show InChI InChI=1S/C13H14F3N3O5/c1-7(2)10(11(21)13(14,15)16)17-9(20)6-18-5-3-4-8(12(18)22)19(23)24/h3-5,7,10H,6H2,1-2H3,(H,17,20)
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1.50E+4n/an/an/an/an/an/an/an/a



A Business Unit of ZENECA Inc.

Curated by ChEMBL


Assay Description
The compound was tested in vitro for ability to inhibit human leukocyte elastase activity


J Med Chem 37: 3090-9 (1994)


Article DOI: 10.1021/jm00045a014
BindingDB Entry DOI: 10.7270/Q2Z0375K
More data for this
Ligand-Target Pair