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PubMed code 8676347

Compile data set for download or QSAR
Found 39 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
Neutrophil elastase


(Homo sapiens (Human))		BDBM50041291
PNG
(2-[(R)-3-(1,1-Dimethyl-2-phenyl-ethyl)-2,4,8-triox...)
Show SMILES CC(C)C(NC(=O)Cn1c(cc2c([nH]c(=O)n(c2=O)C(C)(C)Cc2ccccc2)c1=O)-c1ccccc1)C(=O)C(F)(F)F
Show InChI InChI=1S/C31H31F3N4O5/c1-18(2)24(26(40)31(32,33)34)35-23(39)17-37-22(20-13-9-6-10-14-20)15-21-25(28(37)42)36-29(43)38(27(21)41)30(3,4)16-19-11-7-5-8-12-19/h5-15,18,24H,16-17H2,1-4H3,(H,35,39)(H,36,43)
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PubMed
 0.950n/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-p- nitroanilide.

J Med Chem 39: 1112-24 (1996)


Article DOI: 10.1021/jm950684z
BindingDB Entry DOI: 10.7270/Q25Q4V6Z
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50036058
PNG
(CHEMBL354883 | benzyl (S)-1-((S)-2-(((S)-1,1,1-tri...)
Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)F
Show InChI InChI=1S/C24H32F3N3O5/c1-14(2)18(20(31)24(25,26)27)28-21(32)17-11-8-12-30(17)22(33)19(15(3)4)29-23(34)35-13-16-9-6-5-7-10-16/h5-7,9-10,14-15,17-19H,8,11-13H2,1-4H3,(H,28,32)(H,29,34)/t17-,18-,19-/m0/s1
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 1.60n/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-p- nitroanilide.

J Med Chem 39: 1112-24 (1996)


Article DOI: 10.1021/jm950684z
BindingDB Entry DOI: 10.7270/Q25Q4V6Z
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50051162
PNG
(CHEMBL13753 | {(R)-2,4,8-Trioxo-6-phenyl-7-[(3,3,3...)
Show SMILES CC(C)C(NC(=O)Cn1c(cc2c([nH]c(=O)n(CC(=O)OCc3ccccc3)c2=O)c1=O)-c1ccccc1)C(=O)C(F)(F)F
Show InChI InChI=1S/C30H27F3N4O7/c1-17(2)24(26(40)30(31,32)33)34-22(38)14-36-21(19-11-7-4-8-12-19)13-20-25(28(36)42)35-29(43)37(27(20)41)15-23(39)44-16-18-9-5-3-6-10-18/h3-13,17,24H,14-16H2,1-2H3,(H,34,38)(H,35,43)
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 2.80n/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-p- nitroanilide.

J Med Chem 39: 1112-24 (1996)


Article DOI: 10.1021/jm950684z
BindingDB Entry DOI: 10.7270/Q25Q4V6Z
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

Curated by ChEMBL


Assay Description
Inhibition of Human Neutrophil Elastase-catalyzed hydrolysis of the synthetic substrate MeO-Suc-Ala-Ala-Pro-Val-p- nitroanilide.

J Med Chem 39: 1112-24 (1996)


Article DOI: 10.1021/jm950684z
BindingDB Entry DOI: 10.7270/Q25Q4V6Z
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

Curated by ChEMBL


Assay Description
Inhibition of Human Neutrophil Elastase-catalyzed hydrolysis of the synthetic substrate MeO-Suc-Ala-Ala-Pro-Val-p- nitroanilide.

J Med Chem 39: 1112-24 (1996)


Article DOI: 10.1021/jm950684z
BindingDB Entry DOI: 10.7270/Q25Q4V6Z
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50051160
PNG
(2-[(R)-3-(4-Methoxy-benzyl)-2,4,8-trioxo-6-phenyl-...)
Show SMILES COc1ccc(Cn2c(=O)[nH]c3c(cc(-c4ccccc4)n(CC(=O)NC(C(C)C)C(=O)C(F)(F)F)c3=O)c2=O)cc1
Show InChI InChI=1S/C29H27F3N4O6/c1-16(2)23(25(38)29(30,31)32)33-22(37)15-35-21(18-7-5-4-6-8-18)13-20-24(27(35)40)34-28(41)36(26(20)39)14-17-9-11-19(42-3)12-10-17/h4-13,16,23H,14-15H2,1-3H3,(H,33,37)(H,34,41)
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 5.70n/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-p- nitroanilide.

J Med Chem 39: 1112-24 (1996)


Article DOI: 10.1021/jm950684z
BindingDB Entry DOI: 10.7270/Q25Q4V6Z
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50051147
PNG
(2-[(R)-3-(2-Ethoxy-ethyl)-2,4,8-trioxo-6-phenyl-2,...)
Show SMILES CCOCCn1c(=O)[nH]c2c(cc(-c3ccccc3)n(CC(=O)NC(C(C)C)C(=O)C(F)(F)F)c2=O)c1=O
Show InChI InChI=1S/C25H27F3N4O6/c1-4-38-11-10-31-22(35)16-12-17(15-8-6-5-7-9-15)32(23(36)20(16)30-24(31)37)13-18(33)29-19(14(2)3)21(34)25(26,27)28/h5-9,12,14,19H,4,10-11,13H2,1-3H3,(H,29,33)(H,30,37)
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 7.5n/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-p- nitroanilide.

J Med Chem 39: 1112-24 (1996)


Article DOI: 10.1021/jm950684z
BindingDB Entry DOI: 10.7270/Q25Q4V6Z
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50037375
PNG
(CHEMBL275043 | {2-Oxo-6-phenyl-1-[(3,3,3-trifluoro...)
Show SMILES CC(C)C(NC(=O)Cn1c(ccc(NC(=O)OCc2ccncc2)c1=O)-c1ccccc1)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(18-6-4-3-5-7-18)9-8-19(24(33)36)31-25(37)38-15-17-10-12-30-13-11-17/h3-13,16,22H,14-15H2,1-2H3,(H,31,37)(H,32,34)
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 8n/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-p- nitroanilide.

J Med Chem 39: 1112-24 (1996)


Article DOI: 10.1021/jm950684z
BindingDB Entry DOI: 10.7270/Q25Q4V6Z
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50051143
PNG
(2-[(R)-3-(2-Morpholin-4-yl-ethyl)-2,4,8-trioxo-6-p...)
Show SMILES CC(C)C(NC(=O)Cn1c(cc2c([nH]c(=O)n(CCN3CCOCC3)c2=O)c1=O)-c1ccccc1)C(=O)C(F)(F)F
Show InChI InChI=1S/C27H30F3N5O6/c1-16(2)21(23(37)27(28,29)30)31-20(36)15-35-19(17-6-4-3-5-7-17)14-18-22(25(35)39)32-26(40)34(24(18)38)9-8-33-10-12-41-13-11-33/h3-7,14,16,21H,8-13,15H2,1-2H3,(H,31,36)(H,32,40)
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 8.40n/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-p- nitroanilide.

J Med Chem 39: 1112-24 (1996)


Article DOI: 10.1021/jm950684z
BindingDB Entry DOI: 10.7270/Q25Q4V6Z
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50051137
PNG
(2-[(R)-3-(Benzylcarbamoyl-methyl)-2,4,8-trioxo-6-p...)
Show SMILES CC(C)C(NC(=O)Cn1c(cc2c([nH]c(=O)n(CC(=O)NCc3ccccc3)c2=O)c1=O)-c1ccccc1)C(=O)C(F)(F)F
Show InChI InChI=1S/C30H28F3N5O6/c1-17(2)24(26(41)30(31,32)33)35-23(40)16-37-21(19-11-7-4-8-12-19)13-20-25(28(37)43)36-29(44)38(27(20)42)15-22(39)34-14-18-9-5-3-6-10-18/h3-13,17,24H,14-16H2,1-2H3,(H,34,39)(H,35,40)(H,36,44)
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 9.90n/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-p- nitroanilide.

J Med Chem 39: 1112-24 (1996)


Article DOI: 10.1021/jm950684z
BindingDB Entry DOI: 10.7270/Q25Q4V6Z
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50051156
PNG
(2-((R)-3-Methyl-2,4,8-trioxo-6-phenyl-2,3,4,8-tetr...)
Show SMILES CC(C)C(NC(=O)Cn1c(cc2c([nH]c(=O)n(C)c2=O)c1=O)-c1ccccc1)C(=O)C(F)(F)F
Show InChI InChI=1S/C22H21F3N4O5/c1-11(2)16(18(31)22(23,24)25)26-15(30)10-29-14(12-7-5-4-6-8-12)9-13-17(20(29)33)27-21(34)28(3)19(13)32/h4-9,11,16H,10H2,1-3H3,(H,26,30)(H,27,34)
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 10n/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-p- nitroanilide.

J Med Chem 39: 1112-24 (1996)


Article DOI: 10.1021/jm950684z
BindingDB Entry DOI: 10.7270/Q25Q4V6Z
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50051158
PNG
(2-[(R)-3-(2,2-Dimethoxy-ethyl)-2,4,8-trioxo-6-phen...)
Show SMILES COC(Cn1c(=O)[nH]c2c(cc(-c3ccccc3)n(CC(=O)NC(C(C)C)C(=O)C(F)(F)F)c2=O)c1=O)OC
Show InChI InChI=1S/C25H27F3N4O7/c1-13(2)19(21(34)25(26,27)28)29-17(33)11-31-16(14-8-6-5-7-9-14)10-15-20(23(31)36)30-24(37)32(22(15)35)12-18(38-3)39-4/h5-10,13,18-19H,11-12H2,1-4H3,(H,29,33)(H,30,37)
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 12n/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-p- nitroanilide.

J Med Chem 39: 1112-24 (1996)


Article DOI: 10.1021/jm950684z
BindingDB Entry DOI: 10.7270/Q25Q4V6Z
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50051139
PNG
(CHEMBL13863 | N-(3,3,3-Trifluoro-1-isopropyl-2-oxo...)
Show SMILES CC(C)C(NC(=O)Cn1c(cc2c([nH]c(=O)[nH]c2=O)c1=O)-c1ccccc1)C(=O)C(F)(F)F
Show InChI InChI=1S/C21H19F3N4O5/c1-10(2)15(17(30)21(22,23)24)25-14(29)9-28-13(11-6-4-3-5-7-11)8-12-16(19(28)32)26-20(33)27-18(12)31/h3-8,10,15H,9H2,1-2H3,(H,25,29)(H2,26,27,31,33)
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 15n/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-p- nitroanilide.

J Med Chem 39: 1112-24 (1996)


Article DOI: 10.1021/jm950684z
BindingDB Entry DOI: 10.7270/Q25Q4V6Z
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50051150
PNG
(2-{(R)-2,4,8-Trioxo-6-phenyl-7-[(3,3,3-trifluoro-1...)
Show SMILES CC(C)C(NC(=O)Cn1c(cc2c([nH]c(=O)n(CC(N)=O)c2=O)c1=O)-c1ccccc1)C(=O)C(F)(F)F
Show InChI InChI=1S/C23H22F3N5O6/c1-11(2)17(19(34)23(24,25)26)28-16(33)10-30-14(12-6-4-3-5-7-12)8-13-18(21(30)36)29-22(37)31(20(13)35)9-15(27)32/h3-8,11,17H,9-10H2,1-2H3,(H2,27,32)(H,28,33)(H,29,37)
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 15n/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-p- nitroanilide.

J Med Chem 39: 1112-24 (1996)


Article DOI: 10.1021/jm950684z
BindingDB Entry DOI: 10.7270/Q25Q4V6Z
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50037352
PNG
(2-[2-Oxo-6-phenyl-3-((S)-3-pyridin-4-ylmethyl-urei...)
Show SMILES CC(C)C(NC(=O)Cn1c(ccc(NC(=O)NCc2ccncc2)c1=O)-c1ccccc1)C(=O)C(F)(F)F
Show InChI InChI=1S/C26H26F3N5O4/c1-16(2)22(23(36)26(27,28)29)33-21(35)15-34-20(18-6-4-3-5-7-18)9-8-19(24(34)37)32-25(38)31-14-17-10-12-30-13-11-17/h3-13,16,22H,14-15H2,1-2H3,(H,33,35)(H2,31,32,38)
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 16n/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-p- nitroanilide.

J Med Chem 39: 1112-24 (1996)


Article DOI: 10.1021/jm950684z
BindingDB Entry DOI: 10.7270/Q25Q4V6Z
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50051155
PNG
(2-[(R)-3-(1,1-Dimethyl-2-phenyl-ethyl)-2,4,8-triox...)
Show SMILES CC(C)C(NC(=O)Cn1ccc2c([nH]c(=O)n(c2=O)C(C)(C)Cc2ccccc2)c1=O)C(=O)C(F)(F)F
Show InChI InChI=1S/C25H27F3N4O5/c1-14(2)18(20(34)25(26,27)28)29-17(33)13-31-11-10-16-19(22(31)36)30-23(37)32(21(16)35)24(3,4)12-15-8-6-5-7-9-15/h5-11,14,18H,12-13H2,1-4H3,(H,29,33)(H,30,37)
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 16n/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-p- nitroanilide.

J Med Chem 39: 1112-24 (1996)


Article DOI: 10.1021/jm950684z
BindingDB Entry DOI: 10.7270/Q25Q4V6Z
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50051159
PNG
(2-((R)-3-Dimethylamino-2,4,8-trioxo-6-phenyl-2,3,4...)
Show SMILES CC(C)C(NC(=O)Cn1c(cc2c([nH]c(=O)n(N(C)C)c2=O)c1=O)-c1ccccc1)C(=O)C(F)(F)F
Show InChI InChI=1S/C23H24F3N5O5/c1-12(2)17(19(33)23(24,25)26)27-16(32)11-30-15(13-8-6-5-7-9-13)10-14-18(21(30)35)28-22(36)31(20(14)34)29(3)4/h5-10,12,17H,11H2,1-4H3,(H,27,32)(H,28,36)
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 19n/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-p- nitroanilide.

J Med Chem 39: 1112-24 (1996)


Article DOI: 10.1021/jm950684z
BindingDB Entry DOI: 10.7270/Q25Q4V6Z
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50051144
PNG
(2-[(R)-3-(2-Naphthalen-1-yl-ethyl)-2,4,8-trioxo-2,...)
Show SMILES CC(C)C(NC(=O)Cn1ccc2c([nH]c(=O)n(CCc3cccc4ccccc34)c2=O)c1=O)C(=O)C(F)(F)F
Show InChI InChI=1S/C27H25F3N4O5/c1-15(2)21(23(36)27(28,29)30)31-20(35)14-33-12-11-19-22(25(33)38)32-26(39)34(24(19)37)13-10-17-8-5-7-16-6-3-4-9-18(16)17/h3-9,11-12,15,21H,10,13-14H2,1-2H3,(H,31,35)(H,32,39)
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 21n/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-p- nitroanilide.

J Med Chem 39: 1112-24 (1996)


Article DOI: 10.1021/jm950684z
BindingDB Entry DOI: 10.7270/Q25Q4V6Z
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50051152
PNG
(2-((R)-3-Methylcarbamoylmethyl-2,4,8-trioxo-6-phen...)
Show SMILES CNC(=O)Cn1c(=O)[nH]c2c(cc(-c3ccccc3)n(CC(=O)NC(C(C)C)C(=O)C(F)(F)F)c2=O)c1=O
Show InChI InChI=1S/C24H24F3N5O6/c1-12(2)18(20(35)24(25,26)27)29-17(34)11-31-15(13-7-5-4-6-8-13)9-14-19(22(31)37)30-23(38)32(21(14)36)10-16(33)28-3/h4-9,12,18H,10-11H2,1-3H3,(H,28,33)(H,29,34)(H,30,38)
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 22n/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-p- nitroanilide.

J Med Chem 39: 1112-24 (1996)


Article DOI: 10.1021/jm950684z
BindingDB Entry DOI: 10.7270/Q25Q4V6Z
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50051135
PNG
(2-((R)-3-Naphthalen-1-ylmethyl-2,4,8-trioxo-2,3,4,...)
Show SMILES CC(C)C(NC(=O)Cn1ccc2c([nH]c(=O)n(Cc3cccc4ccccc34)c2=O)c1=O)C(=O)C(F)(F)F
Show InChI InChI=1S/C26H23F3N4O5/c1-14(2)20(22(35)26(27,28)29)30-19(34)13-32-11-10-18-21(24(32)37)31-25(38)33(23(18)36)12-16-8-5-7-15-6-3-4-9-17(15)16/h3-11,14,20H,12-13H2,1-2H3,(H,30,34)(H,31,38)
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 26n/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-p- nitroanilide.

J Med Chem 39: 1112-24 (1996)


Article DOI: 10.1021/jm950684z
BindingDB Entry DOI: 10.7270/Q25Q4V6Z
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50051141
PNG
(CHEMBL14064 | N-(3,3,3-Trifluoro-1-isopropyl-2-oxo...)
Show SMILES CC(C)C(NC(=O)Cn1ccc2c([nH]c(=O)n(CCc3ccccc3)c2=O)c1=O)C(=O)C(F)(F)F
Show InChI InChI=1S/C23H23F3N4O5/c1-13(2)17(19(32)23(24,25)26)27-16(31)12-29-10-9-15-18(21(29)34)28-22(35)30(20(15)33)11-8-14-6-4-3-5-7-14/h3-7,9-10,13,17H,8,11-12H2,1-2H3,(H,27,31)(H,28,35)
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 42n/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-p- nitroanilide.

J Med Chem 39: 1112-24 (1996)


Article DOI: 10.1021/jm950684z
BindingDB Entry DOI: 10.7270/Q25Q4V6Z
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50051136
PNG
(CHEMBL13740 | {(R)-2,4,8-Trioxo-7-[(3,3,3-trifluor...)
Show SMILES CC(C)C(NC(=O)Cn1ccc2c([nH]c(=O)n(CC(=O)OCc3ccccc3)c2=O)c1=O)C(=O)C(F)(F)F
Show InChI InChI=1S/C24H23F3N4O7/c1-13(2)18(20(34)24(25,26)27)28-16(32)10-30-9-8-15-19(22(30)36)29-23(37)31(21(15)35)11-17(33)38-12-14-6-4-3-5-7-14/h3-9,13,18H,10-12H2,1-2H3,(H,28,32)(H,29,37)
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 44n/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-p- nitroanilide.

J Med Chem 39: 1112-24 (1996)


Article DOI: 10.1021/jm950684z
BindingDB Entry DOI: 10.7270/Q25Q4V6Z
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50037346
PNG
(2-(3-Amino-2-oxo-6-phenyl-2H-pyridin-1-yl)-N-(3,3,...)
Show SMILES CC(C)C(NC(=O)Cn1c(ccc(N)c1=O)-c1ccccc1)C(=O)C(F)(F)F
Show InChI InChI=1S/C19H20F3N3O3/c1-11(2)16(17(27)19(20,21)22)24-15(26)10-25-14(9-8-13(23)18(25)28)12-6-4-3-5-7-12/h3-9,11,16H,10,23H2,1-2H3,(H,24,26)
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 62n/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-p- nitroanilide.

J Med Chem 39: 1112-24 (1996)


Article DOI: 10.1021/jm950684z
BindingDB Entry DOI: 10.7270/Q25Q4V6Z
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50051148
PNG
(CHEMBL14222 | N-(3,3,3-Trifluoro-1-isopropyl-2-oxo...)
Show SMILES CC(C)C(NC(=O)Cn1ccc2c([nH]c(=O)n(CC(=O)c3ccccc3)c2=O)c1=O)C(=O)C(F)(F)F
Show InChI InChI=1S/C23H21F3N4O6/c1-12(2)17(19(33)23(24,25)26)27-16(32)11-29-9-8-14-18(21(29)35)28-22(36)30(20(14)34)10-15(31)13-6-4-3-5-7-13/h3-9,12,17H,10-11H2,1-2H3,(H,27,32)(H,28,36)
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 74n/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-p- nitroanilide.

J Med Chem 39: 1112-24 (1996)


Article DOI: 10.1021/jm950684z
BindingDB Entry DOI: 10.7270/Q25Q4V6Z
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50051138
PNG
(2-[(R)-3-(4-Methoxy-benzyl)-2,4,8-trioxo-2,3,4,8-t...)
Show SMILES COc1ccc(Cn2c(=O)[nH]c3c(ccn(CC(=O)NC(C(C)C)C(=O)C(F)(F)F)c3=O)c2=O)cc1
Show InChI InChI=1S/C23H23F3N4O6/c1-12(2)17(19(32)23(24,25)26)27-16(31)11-29-9-8-15-18(21(29)34)28-22(35)30(20(15)33)10-13-4-6-14(36-3)7-5-13/h4-9,12,17H,10-11H2,1-3H3,(H,27,31)(H,28,35)
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 100n/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-p- nitroanilide.

J Med Chem 39: 1112-24 (1996)


Article DOI: 10.1021/jm950684z
BindingDB Entry DOI: 10.7270/Q25Q4V6Z
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50051149
PNG
(2-((R)-3-Benzyl-2,4,8-trioxo-2,3,4,8-tetrahydro-1H...)
Show SMILES CC(C)C(NC(=O)Cn1ccc2c([nH]c(=O)n(Cc3ccccc3)c2=O)c1=O)C(=O)C(F)(F)F
Show InChI InChI=1S/C22H21F3N4O5/c1-12(2)16(18(31)22(23,24)25)26-15(30)11-28-9-8-14-17(20(28)33)27-21(34)29(19(14)32)10-13-6-4-3-5-7-13/h3-9,12,16H,10-11H2,1-2H3,(H,26,30)(H,27,34)
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 160n/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-p- nitroanilide.

J Med Chem 39: 1112-24 (1996)


Article DOI: 10.1021/jm950684z
BindingDB Entry DOI: 10.7270/Q25Q4V6Z
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50051161
PNG
(CHEMBL276181 | N-(3,3,3-Trifluoro-1-isopropyl-2-ox...)
Show SMILES CC(C)C(NC(=O)Cn1ccc2c([nH]c(=O)n([C@H]3C[C@@H]3c3ccccc3)c2=O)c1=O)C(=O)C(F)(F)F
Show InChI InChI=1S/C24H23F3N4O5/c1-12(2)18(20(33)24(25,26)27)28-17(32)11-30-9-8-14-19(22(30)35)29-23(36)31(21(14)34)16-10-15(16)13-6-4-3-5-7-13/h3-9,12,15-16,18H,10-11H2,1-2H3,(H,28,32)(H,29,36)/t15-,16+,18?/m1/s1
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 230n/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-p- nitroanilide.

J Med Chem 39: 1112-24 (1996)


Article DOI: 10.1021/jm950684z
BindingDB Entry DOI: 10.7270/Q25Q4V6Z
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

Curated by ChEMBL


Assay Description
Inhibition of Human Neutrophil Elastase-catalyzed hydrolysis of the synthetic substrate MeO-Suc-Ala-Ala-Pro-Val-p- nitroanilide.

J Med Chem 39: 1112-24 (1996)


Article DOI: 10.1021/jm950684z
BindingDB Entry DOI: 10.7270/Q25Q4V6Z
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

Curated by ChEMBL


Assay Description
Inhibition of Human Neutrophil Elastase-catalyzed hydrolysis of the synthetic substrate MeO-Suc-Ala-Ala-Pro-Val-p- nitroanilide.

J Med Chem 39: 1112-24 (1996)


Article DOI: 10.1021/jm950684z
BindingDB Entry DOI: 10.7270/Q25Q4V6Z
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50051154
PNG
(CHEMBL14176 | {(R)-2,4,8-Trioxo-7-[(3,3,3-trifluor...)
Show SMILES CC(C)C(NC(=O)Cn1ccc2c([nH]c(=O)n(CC(=O)OC(C)(C)C)c2=O)c1=O)C(=O)C(F)(F)F
Show InChI InChI=1S/C21H25F3N4O7/c1-10(2)14(16(31)21(22,23)24)25-12(29)8-27-7-6-11-15(18(27)33)26-19(34)28(17(11)32)9-13(30)35-20(3,4)5/h6-7,10,14H,8-9H2,1-5H3,(H,25,29)(H,26,34)
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 290n/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-p- nitroanilide.

J Med Chem 39: 1112-24 (1996)


Article DOI: 10.1021/jm950684z
BindingDB Entry DOI: 10.7270/Q25Q4V6Z
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50051142
PNG
(CHEMBL13804 | N-(3,3,3-Trifluoro-1-isopropyl-2-oxo...)
Show SMILES CC(C)C(NC(=O)Cn1ccc2c([nH]c(=O)n(CC(C)=O)c2=O)c1=O)C(=O)C(F)(F)F
Show InChI InChI=1S/C18H19F3N4O6/c1-8(2)12(14(28)18(19,20)21)22-11(27)7-24-5-4-10-13(16(24)30)23-17(31)25(15(10)29)6-9(3)26/h4-5,8,12H,6-7H2,1-3H3,(H,22,27)(H,23,31)
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 310n/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-p- nitroanilide.

J Med Chem 39: 1112-24 (1996)


Article DOI: 10.1021/jm950684z
BindingDB Entry DOI: 10.7270/Q25Q4V6Z
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50051140
PNG
(2-[(R)-3-(2-Morpholin-4-yl-ethyl)-2,4,8-trioxo-2,3...)
Show SMILES CC(C)C(NC(=O)Cn1ccc2c([nH]c(=O)n(CCN3CCOCC3)c2=O)c1=O)C(=O)C(F)(F)F
Show InChI InChI=1S/C21H26F3N5O6/c1-12(2)15(17(31)21(22,23)24)25-14(30)11-28-4-3-13-16(19(28)33)26-20(34)29(18(13)32)6-5-27-7-9-35-10-8-27/h3-4,12,15H,5-11H2,1-2H3,(H,25,30)(H,26,34)
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 330n/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-p- nitroanilide.

J Med Chem 39: 1112-24 (1996)


Article DOI: 10.1021/jm950684z
BindingDB Entry DOI: 10.7270/Q25Q4V6Z
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50037357
PNG
(2-[3-((S)-2-Morpholin-4-yl-acetylamino)-2-oxo-6-ph...)
Show SMILES CC(C)C(NC(=O)Cn1c(ccc(NC(=O)CN2CCOCC2)c1=O)-c1ccccc1)C(=O)C(F)(F)F
Show InChI InChI=1S/C25H29F3N4O5/c1-16(2)22(23(35)25(26,27)28)30-21(34)15-32-19(17-6-4-3-5-7-17)9-8-18(24(32)36)29-20(33)14-31-10-12-37-13-11-31/h3-9,16,22H,10-15H2,1-2H3,(H,29,33)(H,30,34)
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 469n/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-p- nitroanilide.

J Med Chem 39: 1112-24 (1996)


Article DOI: 10.1021/jm950684z
BindingDB Entry DOI: 10.7270/Q25Q4V6Z
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50051153
PNG
(CHEMBL14128 | {(R)-2,4,8-Trioxo-7-[(3,3,3-trifluor...)
Show SMILES COC(=O)Cn1c(=O)[nH]c2c(ccn(CC(=O)NC(C(C)C)C(=O)C(F)(F)F)c2=O)c1=O
Show InChI InChI=1S/C18H19F3N4O7/c1-8(2)12(14(28)18(19,20)21)22-10(26)6-24-5-4-9-13(16(24)30)23-17(31)25(15(9)29)7-11(27)32-3/h4-5,8,12H,6-7H2,1-3H3,(H,22,26)(H,23,31)
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 490n/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-p- nitroanilide.

J Med Chem 39: 1112-24 (1996)


Article DOI: 10.1021/jm950684z
BindingDB Entry DOI: 10.7270/Q25Q4V6Z
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50051145
PNG
(2-((R)-3-Methyl-2,4,8-trioxo-2,3,4,8-tetrahydro-1H...)
Show SMILES CC(C)C(NC(=O)Cn1ccc2c([nH]c(=O)n(C)c2=O)c1=O)C(=O)C(F)(F)F
Show InChI InChI=1S/C16H17F3N4O5/c1-7(2)10(12(25)16(17,18)19)20-9(24)6-23-5-4-8-11(14(23)27)21-15(28)22(3)13(8)26/h4-5,7,10H,6H2,1-3H3,(H,20,24)(H,21,28)
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 620n/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-p- nitroanilide.

J Med Chem 39: 1112-24 (1996)


Article DOI: 10.1021/jm950684z
BindingDB Entry DOI: 10.7270/Q25Q4V6Z
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50051151
PNG
(CHEMBL273612 | {(R)-2,4,8-Trioxo-7-[(3,3,3-trifluo...)
Show SMILES CC(C)C(NC(=O)Cn1ccc2c([nH]c(=O)n(CC(O)=O)c2=O)c1=O)C(=O)C(F)(F)F
Show InChI InChI=1S/C17H17F3N4O7/c1-7(2)11(13(28)17(18,19)20)21-9(25)5-23-4-3-8-12(15(23)30)22-16(31)24(14(8)29)6-10(26)27/h3-4,7,11H,5-6H2,1-2H3,(H,21,25)(H,22,31)(H,26,27)
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 690n/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-p- nitroanilide.

J Med Chem 39: 1112-24 (1996)


Article DOI: 10.1021/jm950684z
BindingDB Entry DOI: 10.7270/Q25Q4V6Z
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50051146
PNG
(CHEMBL276182 | N-(3,3,3-Trifluoro-1-isopropyl-2-ox...)
Show SMILES CC(C)C(NC(=O)Cn1ccc2c([nH]c(=O)n(-c3ccccc3)c2=O)c1=O)C(=O)C(F)(F)F
Show InChI InChI=1S/C21H19F3N4O5/c1-11(2)15(17(30)21(22,23)24)25-14(29)10-27-9-8-13-16(19(27)32)26-20(33)28(18(13)31)12-6-4-3-5-7-12/h3-9,11,15H,10H2,1-2H3,(H,25,29)(H,26,33)
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 830n/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-p- nitroanilide.

J Med Chem 39: 1112-24 (1996)


Article DOI: 10.1021/jm950684z
BindingDB Entry DOI: 10.7270/Q25Q4V6Z
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50051157
PNG
(CHEMBL275723 | N-(3,3,3-Trifluoro-1-isopropyl-2-ox...)
Show SMILES CC(C)C(NC(=O)Cn1ccc2c([nH]c(=O)[nH]c2=O)c1=O)C(=O)C(F)(F)F
Show InChI InChI=1S/C15H15F3N4O5/c1-6(2)9(11(24)15(16,17)18)19-8(23)5-22-4-3-7-10(13(22)26)20-14(27)21-12(7)25/h3-4,6,9H,5H2,1-2H3,(H,19,23)(H2,20,21,25,27)
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 910n/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-p- nitroanilide.

J Med Chem 39: 1112-24 (1996)


Article DOI: 10.1021/jm950684z
BindingDB Entry DOI: 10.7270/Q25Q4V6Z
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



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Human Neutrophil Elastase-catalyzed hydrolysis of the synthetic substrate MeO-Suc-Ala-Ala-Pro-Val-p- nitroanilide.

J Med Chem 39: 1112-24 (1996)


Article DOI: 10.1021/jm950684z
BindingDB Entry DOI: 10.7270/Q25Q4V6Z
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%