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Compile Data Set for Download or QSAR

Found 90 hits with Last Name = 'warner' and Initial = 'p'   
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))		BDBM50037338
PNG
(CHEMBL325234 | {6-(3-Chloro-phenyl)-2-oxo-1-[(3,3,...)
Show SMILES CC(C)C(NC(=O)Cn1c(ccc(NC(=O)OCc2ccccc2)c1=O)-c1cccc(Cl)c1)C(=O)C(F)(F)F
Show InChI InChI=1S/C27H25ClF3N3O5/c1-16(2)23(24(36)27(29,30)31)33-22(35)14-34-21(18-9-6-10-19(28)13-18)12-11-20(25(34)37)32-26(38)39-15-17-7-4-3-5-8-17/h3-13,16,23H,14-15H2,1-2H3,(H,32,38)(H,33,35)
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 3.5n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals Group

Curated by ChEMBL


Assay Description
Tested for inhibitory activity against human leukocyte elastase(HLE) enzyme

J Med Chem 37: 3303-12 (1994)


BindingDB Entry DOI: 10.7270/Q2SB44SP
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50037340
PNG
(CHEMBL112880 | {6-(3,5-Dimethoxy-phenyl)-2-oxo-1-[...)
Show SMILES COc1cc(OC)cc(c1)-c1ccc(NC(=O)OCc2ccccc2)c(=O)n1CC(=O)NC(C(C)C)C(=O)C(F)(F)F
Show InChI InChI=1S/C29H30F3N3O7/c1-17(2)25(26(37)29(30,31)32)34-24(36)15-35-23(19-12-20(40-3)14-21(13-19)41-4)11-10-22(27(35)38)33-28(39)42-16-18-8-6-5-7-9-18/h5-14,17,25H,15-16H2,1-4H3,(H,33,39)(H,34,36)
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 3.80n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals Group

Curated by ChEMBL


Assay Description
Tested for inhibitory activity against human leukocyte elastase(HLE) enzyme

J Med Chem 37: 3303-12 (1994)


BindingDB Entry DOI: 10.7270/Q2SB44SP
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50037333
PNG
(CHEMBL113132 | {6-(3-tert-Butoxy-phenyl)-2-oxo-1-[...)
Show SMILES CC(C)C(NC(=O)Cn1c(ccc(NC(=O)OCc2ccccc2)c1=O)-c1cccc(OC(C)(C)C)c1)C(=O)C(F)(F)F
Show InChI InChI=1S/C31H34F3N3O6/c1-19(2)26(27(39)31(32,33)34)36-25(38)17-37-24(21-12-9-13-22(16-21)43-30(3,4)5)15-14-23(28(37)40)35-29(41)42-18-20-10-7-6-8-11-20/h6-16,19,26H,17-18H2,1-5H3,(H,35,41)(H,36,38)
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 4.40n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals Group

Curated by ChEMBL


Assay Description
Tested for inhibitory activity against human leukocyte elastase(HLE) enzyme

J Med Chem 37: 3303-12 (1994)


BindingDB Entry DOI: 10.7270/Q2SB44SP
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50036127
PNG
(CHEMBL11391 | {2-Oxo-6-phenyl-1-[(3,3,3-trifluoro-...)
Show SMILES CC(C)C(NC(=O)Cn1c(ccc(NC(=O)OCc2ccccc2)c1=O)-c1ccccc1)C(=O)C(F)(F)F
Show InChI InChI=1S/C27H26F3N3O5/c1-17(2)23(24(35)27(28,29)30)32-22(34)15-33-21(19-11-7-4-8-12-19)14-13-20(25(33)36)31-26(37)38-16-18-9-5-3-6-10-18/h3-14,17,23H,15-16H2,1-2H3,(H,31,37)(H,32,34)
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 4.5n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals Group

Curated by ChEMBL


Assay Description
Tested for inhibitory activity against human leukocyte elastase(HLE) enzyme

J Med Chem 37: 3303-12 (1994)


BindingDB Entry DOI: 10.7270/Q2SB44SP
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50037327
PNG
(CHEMBL113321 | {6-(3-Hydroxy-phenyl)-2-oxo-1-[(3,3...)
Show SMILES CC(C)C(NC(=O)Cn1c(ccc(NC(=O)OCc2ccccc2)c1=O)-c1cccc(O)c1)C(=O)C(F)(F)F
Show InChI InChI=1S/C27H26F3N3O6/c1-16(2)23(24(36)27(28,29)30)32-22(35)14-33-21(18-9-6-10-19(34)13-18)12-11-20(25(33)37)31-26(38)39-15-17-7-4-3-5-8-17/h3-13,16,23,34H,14-15H2,1-2H3,(H,31,38)(H,32,35)
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 5.60n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals Group

Curated by ChEMBL


Assay Description
Tested for inhibitory activity against human leukocyte elastase(HLE) enzyme

J Med Chem 37: 3303-12 (1994)


BindingDB Entry DOI: 10.7270/Q2SB44SP
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50037325
PNG
(CHEMBL113261 | {6-(4-Chloro-phenyl)-2-oxo-1-[(3,3,...)
Show SMILES CC(C)C(NC(=O)Cn1c(ccc(NC(=O)OCc2ccccc2)c1=O)-c1ccc(Cl)cc1)C(=O)C(F)(F)F
Show InChI InChI=1S/C27H25ClF3N3O5/c1-16(2)23(24(36)27(29,30)31)33-22(35)14-34-21(18-8-10-19(28)11-9-18)13-12-20(25(34)37)32-26(38)39-15-17-6-4-3-5-7-17/h3-13,16,23H,14-15H2,1-2H3,(H,32,38)(H,33,35)
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 6.60n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals Group

Curated by ChEMBL


Assay Description
Tested for inhibitory activity against human leukocyte elastase(HLE) enzyme

J Med Chem 37: 3303-12 (1994)


BindingDB Entry DOI: 10.7270/Q2SB44SP
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50037339
PNG
(CHEMBL113171 | {6-(4-Methoxy-phenyl)-2-oxo-1-[(3,3...)
Show SMILES COc1ccc(cc1)-c1ccc(NC(=O)OCc2ccccc2)c(=O)n1CC(=O)NC(C(C)C)C(=O)C(F)(F)F
Show InChI InChI=1S/C28H28F3N3O6/c1-17(2)24(25(36)28(29,30)31)33-23(35)15-34-22(19-9-11-20(39-3)12-10-19)14-13-21(26(34)37)32-27(38)40-16-18-7-5-4-6-8-18/h4-14,17,24H,15-16H2,1-3H3,(H,32,38)(H,33,35)
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 8.5n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals Group

Curated by ChEMBL


Assay Description
Tested for inhibitory activity against human leukocyte elastase(HLE) enzyme

J Med Chem 37: 3303-12 (1994)


BindingDB Entry DOI: 10.7270/Q2SB44SP
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50037335
PNG
(CHEMBL418822 | {6-Oxo-1-[(3,3,3-trifluoro-1-isopro...)
Show SMILES CC(C)C(NC(=O)Cn1c(ccc(NC(=O)OCc2ccccc2)c1=O)-c1cccnc1)C(=O)C(F)(F)F
Show InChI InChI=1S/C26H25F3N4O5/c1-16(2)22(23(35)26(27,28)29)32-21(34)14-33-20(18-9-6-12-30-13-18)11-10-19(24(33)36)31-25(37)38-15-17-7-4-3-5-8-17/h3-13,16,22H,14-15H2,1-2H3,(H,31,37)(H,32,34)
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 9.10n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals Group

Curated by ChEMBL


Assay Description
Tested for inhibitory activity against human leukocyte elastase(HLE) enzyme

J Med Chem 37: 3303-12 (1994)


BindingDB Entry DOI: 10.7270/Q2SB44SP
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50037336
PNG
(CHEMBL432961 | {6-(2-Chloro-phenyl)-2-oxo-1-[(3,3,...)
Show SMILES CC(C)C(NC(=O)Cn1c(ccc(NC(=O)OCc2ccccc2)c1=O)-c1ccccc1Cl)C(=O)C(F)(F)F
Show InChI InChI=1S/C27H25ClF3N3O5/c1-16(2)23(24(36)27(29,30)31)33-22(35)14-34-21(18-10-6-7-11-19(18)28)13-12-20(25(34)37)32-26(38)39-15-17-8-4-3-5-9-17/h3-13,16,23H,14-15H2,1-2H3,(H,32,38)(H,33,35)
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 11n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals Group

Curated by ChEMBL


Assay Description
Tested for inhibitory activity against human leukocyte elastase(HLE) enzyme

J Med Chem 37: 3303-12 (1994)


BindingDB Entry DOI: 10.7270/Q2SB44SP
More data for this
Ligand-Target Pair
Neutrophil 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)


BindingDB Entry DOI: 10.7270/Q2Z0375K
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50037329
PNG
(CHEMBL432442 | {2-Oxo-6-p-tolyl-1-[(3,3,3-trifluor...)
Show SMILES CC(C)C(NC(=O)Cn1c(ccc(NC(=O)OCc2ccccc2)c1=O)-c1ccc(C)cc1)C(=O)C(F)(F)F
Show InChI InChI=1S/C28H28F3N3O5/c1-17(2)24(25(36)28(29,30)31)33-23(35)15-34-22(20-11-9-18(3)10-12-20)14-13-21(26(34)37)32-27(38)39-16-19-7-5-4-6-8-19/h4-14,17,24H,15-16H2,1-3H3,(H,32,38)(H,33,35)
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 31n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals Group

Curated by ChEMBL


Assay Description
Tested for inhibitory activity against human leukocyte elastase(HLE) enzyme

J Med Chem 37: 3303-12 (1994)


BindingDB Entry DOI: 10.7270/Q2SB44SP
More data for this
Ligand-Target Pair
Neutrophil 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)


BindingDB Entry DOI: 10.7270/Q2Z0375K
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50037326
PNG
(3-{5-Benzyloxycarbonylamino-6-oxo-1-[(3,3,3-triflu...)
Show SMILES CC(C)C(NC(=O)Cn1c(ccc(NC(=O)OCc2ccccc2)c1=O)-c1cccc(c1)C(O)=O)C(=O)C(F)(F)F
Show InChI InChI=1S/C28H26F3N3O7/c1-16(2)23(24(36)28(29,30)31)33-22(35)14-34-21(18-9-6-10-19(13-18)26(38)39)12-11-20(25(34)37)32-27(40)41-15-17-7-4-3-5-8-17/h3-13,16,23H,14-15H2,1-2H3,(H,32,40)(H,33,35)(H,38,39)
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 32n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals Group

Curated by ChEMBL


Assay Description
Tested for inhibitory activity against human leukocyte elastase(HLE) enzyme

J Med Chem 37: 3303-12 (1994)


BindingDB Entry DOI: 10.7270/Q2SB44SP
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50037330
PNG
(CHEMBL326616 | {2-Oxo-6-((E)-styryl)-1-[(3,3,3-tri...)
Show SMILES CC(C)C(NC(=O)Cn1c(\C=C\c2ccccc2)ccc(NC(=O)OCc2ccccc2)c1=O)C(=O)C(F)(F)F
Show InChI InChI=1S/C29H28F3N3O5/c1-19(2)25(26(37)29(30,31)32)34-24(36)17-35-22(14-13-20-9-5-3-6-10-20)15-16-23(27(35)38)33-28(39)40-18-21-11-7-4-8-12-21/h3-16,19,25H,17-18H2,1-2H3,(H,33,39)(H,34,36)/b14-13+
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 33n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals Group

Curated by ChEMBL


Assay Description
Tested for inhibitory activity against human leukocyte elastase(HLE) enzyme

J Med Chem 37: 3303-12 (1994)


BindingDB Entry DOI: 10.7270/Q2SB44SP
More data for this
Ligand-Target Pair
Neutrophil 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)


BindingDB Entry DOI: 10.7270/Q2Z0375K
More data for this
Ligand-Target Pair
Neutrophil 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)


BindingDB Entry DOI: 10.7270/Q2Z0375K
More data for this
Ligand-Target Pair
Neutrophil 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



ZENECA Pharmaceuticals Group

Curated by ChEMBL


Assay Description
Tested for inhibitory activity against human leukocyte elastase(HLE) enzyme

J Med Chem 37: 3303-12 (1994)


BindingDB Entry DOI: 10.7270/Q2SB44SP
More data for this
Ligand-Target Pair
Neutrophil 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)


BindingDB Entry DOI: 10.7270/Q2Z0375K
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50037331
PNG
(4-{5-Benzyloxycarbonylamino-6-oxo-1-[(3,3,3-triflu...)
Show SMILES CC(C)C(NC(=O)Cn1c(ccc(NC(=O)OCc2ccccc2)c1=O)-c1ccc(cc1)C(O)=O)C(=O)C(F)(F)F
Show InChI InChI=1S/C28H26F3N3O7/c1-16(2)23(24(36)28(29,30)31)33-22(35)14-34-21(18-8-10-19(11-9-18)26(38)39)13-12-20(25(34)37)32-27(40)41-15-17-6-4-3-5-7-17/h3-13,16,23H,14-15H2,1-2H3,(H,32,40)(H,33,35)(H,38,39)
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 42n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals Group

Curated by ChEMBL


Assay Description
Tested for inhibitory activity against human leukocyte elastase(HLE) enzyme

J Med Chem 37: 3303-12 (1994)


BindingDB Entry DOI: 10.7270/Q2SB44SP
More data for this
Ligand-Target Pair
Neutrophil 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)


BindingDB Entry DOI: 10.7270/Q2Z0375K
More data for this
Ligand-Target Pair
Neutrophil 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)


BindingDB Entry DOI: 10.7270/Q2Z0375K
More data for this
Ligand-Target Pair
Neutrophil 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)


BindingDB Entry DOI: 10.7270/Q2Z0375K
More data for this
Ligand-Target Pair
Neutrophil 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)


BindingDB Entry DOI: 10.7270/Q2Z0375K
More data for this
Ligand-Target Pair
Chymotrypsin-C


(Homo sapiens (Human))		BDBM50036127
PNG
(CHEMBL11391 | {2-Oxo-6-phenyl-1-[(3,3,3-trifluoro-...)
Show SMILES CC(C)C(NC(=O)Cn1c(ccc(NC(=O)OCc2ccccc2)c1=O)-c1ccccc1)C(=O)C(F)(F)F
Show InChI InChI=1S/C27H26F3N3O5/c1-17(2)23(24(35)27(28,29)30)32-22(34)15-33-21(19-11-7-4-8-12-19)14-13-20(25(33)36)31-26(37)38-16-18-9-5-3-6-10-18/h3-14,17,23H,15-16H2,1-2H3,(H,31,37)(H,32,34)
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 55n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals Group

Curated by ChEMBL


Assay Description
Tested for inhibitory activity against bovine pancreatic chymotrypsinogen

J Med Chem 37: 3303-12 (1994)


BindingDB Entry DOI: 10.7270/Q2SB44SP
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50037334
PNG
(CHEMBL112971 | {6-Benzyl-2-oxo-1-[(3,3,3-trifluoro...)
Show SMILES CC(C)C(NC(=O)Cn1c(Cc2ccccc2)ccc(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)16-34-21(15-19-9-5-3-6-10-19)13-14-22(26(34)37)32-27(38)39-17-20-11-7-4-8-12-20/h3-14,18,24H,15-17H2,1-2H3,(H,32,38)(H,33,35)
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 66n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals Group

Curated by ChEMBL


Assay Description
Tested for inhibitory activity against human leukocyte elastase(HLE) enzyme

J Med Chem 37: 3303-12 (1994)


BindingDB Entry DOI: 10.7270/Q2SB44SP
More data for this
Ligand-Target Pair
Neutrophil 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)


BindingDB Entry DOI: 10.7270/Q2Z0375K
More data for this
Ligand-Target Pair
Neutrophil 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)


BindingDB Entry DOI: 10.7270/Q2Z0375K
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50037324
PNG
(CHEMBL109852 | {2-Oxo-6-phenethyl-1-[(3,3,3-triflu...)
Show SMILES CC(C)C(NC(=O)Cn1c(CCc2ccccc2)ccc(NC(=O)OCc2ccccc2)c1=O)C(=O)C(F)(F)F
Show InChI InChI=1S/C29H30F3N3O5/c1-19(2)25(26(37)29(30,31)32)34-24(36)17-35-22(14-13-20-9-5-3-6-10-20)15-16-23(27(35)38)33-28(39)40-18-21-11-7-4-8-12-21/h3-12,15-16,19,25H,13-14,17-18H2,1-2H3,(H,33,39)(H,34,36)
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 79n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals Group

Curated by ChEMBL


Assay Description
Tested for inhibitory activity against human leukocyte elastase(HLE) enzyme

J Med Chem 37: 3303-12 (1994)


BindingDB Entry DOI: 10.7270/Q2SB44SP
More data for this
Ligand-Target Pair
Neutrophil 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)


BindingDB Entry DOI: 10.7270/Q2Z0375K
More data for this
Ligand-Target Pair
Neutrophil 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)


BindingDB Entry DOI: 10.7270/Q2Z0375K
More data for this
Ligand-Target Pair
Neutrophil 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)


BindingDB Entry DOI: 10.7270/Q2Z0375K
More data for this
Ligand-Target Pair
Neutrophil 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



ZENECA Pharmaceuticals Group

Curated by ChEMBL


Assay Description
Tested for inhibitory activity against human leukocyte elastase(HLE) enzyme

J Med Chem 37: 3303-12 (1994)


BindingDB Entry DOI: 10.7270/Q2SB44SP
More data for this
Ligand-Target Pair
Neutrophil 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)


BindingDB Entry DOI: 10.7270/Q2Z0375K
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50037332
PNG
(CHEMBL114024 | {2-Oxo-5-phenyl-1-[(3,3,3-trifluoro...)
Show SMILES CC(C)C(NC(=O)Cn1cc(cc(NC(=O)OCc2ccccc2)c1=O)-c1ccccc1)C(=O)C(F)(F)F
Show InChI InChI=1S/C27H26F3N3O5/c1-17(2)23(24(35)27(28,29)30)32-22(34)15-33-14-20(19-11-7-4-8-12-19)13-21(25(33)36)31-26(37)38-16-18-9-5-3-6-10-18/h3-14,17,23H,15-16H2,1-2H3,(H,31,37)(H,32,34)
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 300n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals Group

Curated by ChEMBL


Assay Description
Tested for inhibitory activity against human leukocyte elastase(HLE) enzyme

J Med Chem 37: 3303-12 (1994)


BindingDB Entry DOI: 10.7270/Q2SB44SP
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50037328
PNG
(CHEMBL324587 | {2-Oxo-4-phenyl-1-[(3,3,3-trifluoro...)
Show SMILES CC(C)C(NC(=O)Cn1ccc(-c2ccccc2)c(NC(=O)OCc2ccccc2)c1=O)C(=O)C(F)(F)F
Show InChI InChI=1S/C27H26F3N3O5/c1-17(2)22(24(35)27(28,29)30)31-21(34)15-33-14-13-20(19-11-7-4-8-12-19)23(25(33)36)32-26(37)38-16-18-9-5-3-6-10-18/h3-14,17,22H,15-16H2,1-2H3,(H,31,34)(H,32,37)
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 320n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals Group

Curated by ChEMBL


Assay Description
Tested for inhibitory activity against human leukocyte elastase(HLE) enzyme

J Med Chem 37: 3303-12 (1994)


BindingDB Entry DOI: 10.7270/Q2SB44SP
More data for this
Ligand-Target Pair
Neutrophil 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)


BindingDB Entry DOI: 10.7270/Q2Z0375K
More data for this
Ligand-Target Pair
Neutrophil 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)


BindingDB Entry DOI: 10.7270/Q2Z0375K
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50037337
PNG
(CHEMBL109769 | {6-Methyl-2-oxo-1-[(3,3,3-trifluoro...)
Show SMILES CC(C)C(NC(=O)Cn1c(C)ccc(NC(=O)OCc2ccccc2)c1=O)C(=O)C(F)(F)F
Show InChI InChI=1S/C22H24F3N3O5/c1-13(2)18(19(30)22(23,24)25)27-17(29)11-28-14(3)9-10-16(20(28)31)26-21(32)33-12-15-7-5-4-6-8-15/h4-10,13,18H,11-12H2,1-3H3,(H,26,32)(H,27,29)
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 360n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals Group

Curated by ChEMBL


Assay Description
Tested for inhibitory activity against human leukocyte elastase(HLE) enzyme

J Med Chem 37: 3303-12 (1994)


BindingDB Entry DOI: 10.7270/Q2SB44SP
More data for this
Ligand-Target Pair
Chymotrypsin-C


(Homo sapiens (Human))		BDBM50037325
PNG
(CHEMBL113261 | {6-(4-Chloro-phenyl)-2-oxo-1-[(3,3,...)
Show SMILES CC(C)C(NC(=O)Cn1c(ccc(NC(=O)OCc2ccccc2)c1=O)-c1ccc(Cl)cc1)C(=O)C(F)(F)F
Show InChI InChI=1S/C27H25ClF3N3O5/c1-16(2)23(24(36)27(29,30)31)33-22(35)14-34-21(18-8-10-19(28)11-9-18)13-12-20(25(34)37)32-26(38)39-15-17-6-4-3-5-7-17/h3-13,16,23H,14-15H2,1-2H3,(H,32,38)(H,33,35)
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 500n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals Group

Curated by ChEMBL


Assay Description
Tested for inhibitory activity against bovine pancreatic chymotrypsinogen

J Med Chem 37: 3303-12 (1994)


BindingDB Entry DOI: 10.7270/Q2SB44SP
More data for this
Ligand-Target Pair
Neutrophil 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)


BindingDB Entry DOI: 10.7270/Q2Z0375K
More data for this
Ligand-Target Pair
Chymotrypsin-C


(Homo sapiens (Human))		BDBM50037329
PNG
(CHEMBL432442 | {2-Oxo-6-p-tolyl-1-[(3,3,3-trifluor...)
Show SMILES CC(C)C(NC(=O)Cn1c(ccc(NC(=O)OCc2ccccc2)c1=O)-c1ccc(C)cc1)C(=O)C(F)(F)F
Show InChI InChI=1S/C28H28F3N3O5/c1-17(2)24(25(36)28(29,30)31)33-23(35)15-34-22(20-11-9-18(3)10-12-20)14-13-21(26(34)37)32-27(38)39-16-19-7-5-4-6-8-19/h4-14,17,24H,15-16H2,1-3H3,(H,32,38)(H,33,35)
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 720n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals Group

Curated by ChEMBL


Assay Description
Tested for inhibitory activity against bovine pancreatic chymotrypsinogen

J Med Chem 37: 3303-12 (1994)


BindingDB Entry DOI: 10.7270/Q2SB44SP
More data for this
Ligand-Target Pair
Neutrophil 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)


BindingDB Entry DOI: 10.7270/Q2Z0375K
More data for this
Ligand-Target Pair
Neutrophil 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)


BindingDB Entry DOI: 10.7270/Q2Z0375K
More data for this
Ligand-Target Pair
Neutrophil 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)


BindingDB Entry DOI: 10.7270/Q2Z0375K
More data for this
Ligand-Target Pair
Neutrophil 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)


BindingDB Entry DOI: 10.7270/Q2Z0375K
More data for this
Ligand-Target Pair
Chymotrypsin-like elastase family member 2A


(Sus scrofa)		BDBM50036127
PNG
(CHEMBL11391 | {2-Oxo-6-phenyl-1-[(3,3,3-trifluoro-...)
Show SMILES CC(C)C(NC(=O)Cn1c(ccc(NC(=O)OCc2ccccc2)c1=O)-c1ccccc1)C(=O)C(F)(F)F
Show InChI InChI=1S/C27H26F3N3O5/c1-17(2)23(24(35)27(28,29)30)32-22(34)15-33-21(19-11-7-4-8-12-19)14-13-20(25(33)36)31-26(37)38-16-18-9-5-3-6-10-18/h3-14,17,23H,15-16H2,1-2H3,(H,31,37)(H,32,34)
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 4.60E+3n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals Group

Curated by ChEMBL


Assay Description
Inhibitory activity against porcine pancreatic elastase

J Med Chem 37: 3303-12 (1994)


BindingDB Entry DOI: 10.7270/Q2SB44SP
More data for this
Ligand-Target Pair
Anionic trypsin


(Bos taurus)		BDBM50036127
PNG
(CHEMBL11391 | {2-Oxo-6-phenyl-1-[(3,3,3-trifluoro-...)
Show SMILES CC(C)C(NC(=O)Cn1c(ccc(NC(=O)OCc2ccccc2)c1=O)-c1ccccc1)C(=O)C(F)(F)F
Show InChI InChI=1S/C27H26F3N3O5/c1-17(2)23(24(35)27(28,29)30)32-22(34)15-33-21(19-11-7-4-8-12-19)14-13-20(25(33)36)31-26(37)38-16-18-9-5-3-6-10-18/h3-14,17,23H,15-16H2,1-2H3,(H,31,37)(H,32,34)
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 4.80E+3n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals Group

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine pancreatic trypsin

J Med Chem 37: 3303-12 (1994)


BindingDB Entry DOI: 10.7270/Q2SB44SP
More data for this
Ligand-Target Pair
Chymotrypsin-C


(Homo sapiens (Human))		BDBM50037330
PNG
(CHEMBL326616 | {2-Oxo-6-((E)-styryl)-1-[(3,3,3-tri...)
Show SMILES CC(C)C(NC(=O)Cn1c(\C=C\c2ccccc2)ccc(NC(=O)OCc2ccccc2)c1=O)C(=O)C(F)(F)F
Show InChI InChI=1S/C29H28F3N3O5/c1-19(2)25(26(37)29(30,31)32)34-24(36)17-35-22(14-13-20-9-5-3-6-10-20)15-16-23(27(35)38)33-28(39)40-18-21-11-7-4-8-12-21/h3-16,19,25H,17-18H2,1-2H3,(H,33,39)(H,34,36)/b14-13+
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 5.80E+3n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals Group

Curated by ChEMBL


Assay Description
Tested for inhibitory activity against bovine pancreatic chymotrypsinogen

J Med Chem 37: 3303-12 (1994)


BindingDB Entry DOI: 10.7270/Q2SB44SP
More data for this
Ligand-Target Pair
Chymotrypsin-C


(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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 6.20E+3n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals Group

Curated by ChEMBL


Assay Description
Tested for inhibitory activity against bovine pancreatic chymotrypsinogen

J Med Chem 37: 3303-12 (1994)


BindingDB Entry DOI: 10.7270/Q2SB44SP
More data for this
Ligand-Target Pair
Papain


(Carica papaya)		BDBM50036127
PNG
(CHEMBL11391 | {2-Oxo-6-phenyl-1-[(3,3,3-trifluoro-...)
Show SMILES CC(C)C(NC(=O)Cn1c(ccc(NC(=O)OCc2ccccc2)c1=O)-c1ccccc1)C(=O)C(F)(F)F
Show InChI InChI=1S/C27H26F3N3O5/c1-17(2)23(24(35)27(28,29)30)32-22(34)15-33-21(19-11-7-4-8-12-19)14-13-20(25(33)36)31-26(37)38-16-18-9-5-3-6-10-18/h3-14,17,23H,15-16H2,1-2H3,(H,31,37)(H,32,34)
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 7.00E+3n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals Group

Curated by ChEMBL


Assay Description
Inhibitory activity against papain

J Med Chem 37: 3303-12 (1994)


BindingDB Entry DOI: 10.7270/Q2SB44SP
More data for this
Ligand-Target Pair
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