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PubMed code 7837244

Compile data set for download or QSAR
Found 33 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))		BDBM50036065
PNG
(2-(8-Formyl-1-oxo-3-phenyl-1,9-dihydro-beta-carbol...)
Show SMILES CC(C)C(NC(=O)Cn1c(O)c2nc3c(C=O)cccc3c2cc1-c1ccccc1)C(=O)C(F)(F)F
Show InChI InChI=1S/C26H22F3N3O4/c1-14(2)21(24(35)26(27,28)29)30-20(34)12-32-19(15-7-4-3-5-8-15)11-18-17-10-6-9-16(13-33)22(17)31-23(18)25(32)36/h3-11,13-14,21,36H,12H2,1-2H3,(H,30,34)
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 4.90n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human leukocyte elastase (HLE) mediated hydrolysis of the synthetic substrate MeOSuc-Ala-Ala-Pro-Val-pNA

J Med Chem 38: 86-97 (1995)


BindingDB Entry DOI: 10.7270/Q2TD9WDR
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50036068
PNG
(2-(1-Oxo-3-phenyl-1,9-dihydro-beta-carbolin-2-yl)-...)
Show SMILES CC(C)C(NC(=O)Cn1c(O)c2nc3ccccc3c2cc1-c1ccccc1)C(=O)C(F)(F)F
Show InChI InChI=1S/C25H22F3N3O3/c1-14(2)21(23(33)25(26,27)28)30-20(32)13-31-19(15-8-4-3-5-9-15)12-17-16-10-6-7-11-18(16)29-22(17)24(31)34/h3-12,14,21,34H,13H2,1-2H3,(H,30,32)
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 6.10n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human leukocyte elastase (HLE) mediated hydrolysis of the synthetic substrate MeOSuc-Ala-Ala-Pro-Val-pNA

J Med Chem 38: 86-97 (1995)


BindingDB Entry DOI: 10.7270/Q2TD9WDR
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50036079
PNG
(2-(8-Cyano-1-oxo-3-phenyl-1,9-dihydro-beta-carboli...)
Show SMILES CC(C)C(NC(=O)Cn1c(O)c2nc3c(cccc3c2cc1-c1ccccc1)C#N)C(=O)C(F)(F)F
Show InChI InChI=1S/C26H21F3N4O3/c1-14(2)21(24(35)26(27,28)29)31-20(34)13-33-19(15-7-4-3-5-8-15)11-18-17-10-6-9-16(12-30)22(17)32-23(18)25(33)36/h3-11,14,21,36H,13H2,1-2H3,(H,31,34)
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 6.60n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human leukocyte elastase (HLE) mediated hydrolysis of the synthetic substrate MeOSuc-Ala-Ala-Pro-Val-pNA

J Med Chem 38: 86-97 (1995)


BindingDB Entry DOI: 10.7270/Q2TD9WDR
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50036069
PNG
(2-(8-Hydroxy-1-oxo-3-phenyl-1,9-dihydro-beta-carbo...)
Show SMILES CC(C)C(NC(=O)Cn1c(O)c2nc3c(O)cccc3c2cc1-c1ccccc1)C(=O)C(F)(F)F
Show InChI InChI=1S/C25H22F3N3O4/c1-13(2)20(23(34)25(26,27)28)29-19(33)12-31-17(14-7-4-3-5-8-14)11-16-15-9-6-10-18(32)21(15)30-22(16)24(31)35/h3-11,13,20,32,35H,12H2,1-2H3,(H,29,33)
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 6.70n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human leukocyte elastase (HLE) mediated hydrolysis of the synthetic substrate MeOSuc-Ala-Ala-Pro-Val-pNA

J Med Chem 38: 86-97 (1995)


BindingDB Entry DOI: 10.7270/Q2TD9WDR
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50036070
PNG
(CHEMBL174802 | {1-Oxo-3-phenyl-2-[(3,3,3-trifluoro...)
Show SMILES COP(=O)(OC)c1ccc2nc3c(O)n(CC(=O)NC(C(C)C)C(=O)C(F)(F)F)c(cc3c2c1)-c1ccccc1
Show InChI InChI=1S/C27H27F3N3O6P/c1-15(2)23(25(35)27(28,29)30)32-22(34)14-33-21(16-8-6-5-7-9-16)13-19-18-12-17(40(37,38-3)39-4)10-11-20(18)31-24(19)26(33)36/h5-13,15,23,36H,14H2,1-4H3,(H,32,34)
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 9.60n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human leukocyte elastase (HLE) mediated hydrolysis of the synthetic substrate MeOSuc-Ala-Ala-Pro-Val-pNA

J Med Chem 38: 86-97 (1995)


BindingDB Entry DOI: 10.7270/Q2TD9WDR
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50036078
PNG
(1-Oxo-3-phenyl-2-[(3,3,3-trifluoro-1-isopropyl-2-o...)
Show SMILES CC(C)C(NC(=O)Cn1c(O)c2nc3c(cccc3c2cc1-c1ccccc1)C(O)=O)C(=O)C(F)(F)F
Show InChI InChI=1S/C26H22F3N3O5/c1-13(2)20(23(34)26(27,28)29)30-19(33)12-32-18(14-7-4-3-5-8-14)11-17-15-9-6-10-16(25(36)37)21(15)31-22(17)24(32)35/h3-11,13,20,35H,12H2,1-2H3,(H,30,33)(H,36,37)
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 13n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human leukocyte elastase (HLE) mediated hydrolysis of the synthetic substrate MeOSuc-Ala-Ala-Pro-Val-pNA

J Med Chem 38: 86-97 (1995)


BindingDB Entry DOI: 10.7270/Q2TD9WDR
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50036076
PNG
(CHEMBL176627 | Methanesulfonic acid 1-oxo-3-phenyl...)
Show SMILES CC(C)C(NC(=O)Cn1c(O)c2nc3c(OS(C)(=O)=O)cccc3c2cc1-c1ccccc1)C(=O)C(F)(F)F
Show InChI InChI=1S/C26H24F3N3O6S/c1-14(2)21(24(34)26(27,28)29)30-20(33)13-32-18(15-8-5-4-6-9-15)12-17-16-10-7-11-19(38-39(3,36)37)22(16)31-23(17)25(32)35/h4-12,14,21,35H,13H2,1-3H3,(H,30,33)
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 15n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human leukocyte elastase (HLE) mediated hydrolysis of the synthetic substrate MeOSuc-Ala-Ala-Pro-Val-pNA

J Med Chem 38: 86-97 (1995)


BindingDB Entry DOI: 10.7270/Q2TD9WDR
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50036084
PNG
(2-(8-Methoxy-1-oxo-3-phenyl-1,9-dihydro-beta-carbo...)
Show SMILES COc1cccc2c3cc(-c4ccccc4)n(CC(=O)NC(C(C)C)C(=O)C(F)(F)F)c(O)c3nc12
Show InChI InChI=1S/C26H24F3N3O4/c1-14(2)21(24(34)26(27,28)29)30-20(33)13-32-18(15-8-5-4-6-9-15)12-17-16-10-7-11-19(36-3)22(16)31-23(17)25(32)35/h4-12,14,21,35H,13H2,1-3H3,(H,30,33)
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 17n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human leukocyte elastase (HLE) mediated hydrolysis of the synthetic substrate MeOSuc-Ala-Ala-Pro-Val-pNA

J Med Chem 38: 86-97 (1995)


BindingDB Entry DOI: 10.7270/Q2TD9WDR
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50036080
PNG
(3-Isopropyl-1-oxo-2-[(3,3,3-trifluoro-1-isopropyl-...)
Show SMILES CC(C)C(NC(=O)Cn1c(O)c2nc3c(cccc3c2cc1C(C)C)C(O)=O)C(=O)C(F)(F)F
Show InChI InChI=1S/C23H24F3N3O5/c1-10(2)15-8-14-12-6-5-7-13(22(33)34)18(12)28-19(14)21(32)29(15)9-16(30)27-17(11(3)4)20(31)23(24,25)26/h5-8,10-11,17,32H,9H2,1-4H3,(H,27,30)(H,33,34)
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 19n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human leukocyte elastase (HLE) mediated hydrolysis of the synthetic substrate MeOSuc-Ala-Ala-Pro-Val-pNA

J Med Chem 38: 86-97 (1995)


BindingDB Entry DOI: 10.7270/Q2TD9WDR
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50036060
PNG
(1-Oxo-2-[(3,3,3-trifluoro-1-isopropyl-2-oxo-propyl...)
Show SMILES CC(C)C(NC(=O)Cn1ccc2c(nc3c(cccc23)C(O)=O)c1O)C(=O)C(F)(F)F
Show InChI InChI=1S/C20H18F3N3O5/c1-9(2)14(17(28)20(21,22)23)24-13(27)8-26-7-6-11-10-4-3-5-12(19(30)31)15(10)25-16(11)18(26)29/h3-7,9,14,29H,8H2,1-2H3,(H,24,27)(H,30,31)
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 22n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human leukocyte elastase (HLE) mediated hydrolysis of the synthetic substrate MeOSuc-Ala-Ala-Pro-Val-pNA

J Med Chem 38: 86-97 (1995)


BindingDB Entry DOI: 10.7270/Q2TD9WDR
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50036066
PNG
(CHEMBL174504 | Carbonic acid methyl ester 1-oxo-3-...)
Show SMILES COC(=O)Oc1cccc2c3cc(-c4ccccc4)n(CC(=O)NC(C(C)C)C(=O)C(F)(F)F)c(O)c3nc12
Show InChI InChI=1S/C27H24F3N3O6/c1-14(2)21(24(35)27(28,29)30)31-20(34)13-33-18(15-8-5-4-6-9-15)12-17-16-10-7-11-19(39-26(37)38-3)22(16)32-23(17)25(33)36/h4-12,14,21,36H,13H2,1-3H3,(H,31,34)
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 24n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human leukocyte elastase (HLE) mediated hydrolysis of the synthetic substrate MeOSuc-Ala-Ala-Pro-Val-pNA

J Med Chem 38: 86-97 (1995)


BindingDB Entry DOI: 10.7270/Q2TD9WDR
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50036072
PNG
(1-Oxo-2-[(3,3,3-trifluoro-1-isopropyl-2-oxo-propyl...)
Show SMILES CC(C)C(NC(=O)CN1CCc2c([nH]c3c(cccc23)C(O)=O)C1=O)C(=O)C(F)(F)F
Show InChI InChI=1S/C20H20F3N3O5/c1-9(2)14(17(28)20(21,22)23)24-13(27)8-26-7-6-11-10-4-3-5-12(19(30)31)15(10)25-16(11)18(26)29/h3-5,9,14,25H,6-8H2,1-2H3,(H,24,27)(H,30,31)
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 27n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human leukocyte elastase (HLE) mediated hydrolysis of the synthetic substrate MeOSuc-Ala-Ala-Pro-Val-pNA

J Med Chem 38: 86-97 (1995)


BindingDB Entry DOI: 10.7270/Q2TD9WDR
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50036085
PNG
(2-(8-Cyano-3-isopropyl-1-oxo-1,9-dihydro-beta-carb...)
Show SMILES CC(C)C(NC(=O)Cn1c(O)c2nc3c(cccc3c2cc1C(C)C)C#N)C(=O)C(F)(F)F
Show InChI InChI=1S/C23H23F3N4O3/c1-11(2)16-8-15-14-7-5-6-13(9-27)19(14)29-20(15)22(33)30(16)10-17(31)28-18(12(3)4)21(32)23(24,25)26/h5-8,11-12,18,33H,10H2,1-4H3,(H,28,31)
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 28n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human leukocyte elastase (HLE) mediated hydrolysis of the synthetic substrate MeOSuc-Ala-Ala-Pro-Val-pNA

J Med Chem 38: 86-97 (1995)


BindingDB Entry DOI: 10.7270/Q2TD9WDR
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50036075
PNG
(CHEMBL368630 | {1-Oxo-3-phenyl-2-[(3,3,3-trifluoro...)
Show SMILES COP(=O)(OC)c1cccc2c3cc(-c4ccccc4)n(CC(=O)NC(C(C)C)C(=O)C(F)(F)F)c(O)c3nc12
Show InChI InChI=1S/C27H27F3N3O6P/c1-15(2)22(25(35)27(28,29)30)31-21(34)14-33-19(16-9-6-5-7-10-16)13-18-17-11-8-12-20(40(37,38-3)39-4)23(17)32-24(18)26(33)36/h5-13,15,22,36H,14H2,1-4H3,(H,31,34)
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 52n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human leukocyte elastase (HLE) mediated hydrolysis of the synthetic substrate MeOSuc-Ala-Ala-Pro-Val-pNA

J Med Chem 38: 86-97 (1995)


BindingDB Entry DOI: 10.7270/Q2TD9WDR
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50036067
PNG
(2-(3-Isopropyl-1-oxo-1,9-dihydro-beta-carbolin-2-y...)
Show SMILES CC(C)C(NC(=O)Cn1c(O)c2nc3ccccc3c2cc1C(C)C)C(=O)C(F)(F)F
Show InChI InChI=1S/C22H24F3N3O3/c1-11(2)16-9-14-13-7-5-6-8-15(13)26-19(14)21(31)28(16)10-17(29)27-18(12(3)4)20(30)22(23,24)25/h5-9,11-12,18,31H,10H2,1-4H3,(H,27,29)
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 54n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human leukocyte elastase (HLE) mediated hydrolysis of the synthetic substrate MeOSuc-Ala-Ala-Pro-Val-pNA

J Med Chem 38: 86-97 (1995)


BindingDB Entry DOI: 10.7270/Q2TD9WDR
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50036081
PNG
(1-Oxo-3-phenyl-2-[(3,3,3-trifluoro-1-isopropyl-2-o...)
Show SMILES COC(=O)c1cccc2c3cc(-c4ccccc4)n(CC(=O)NC(C(C)C)C(=O)C(F)(F)F)c(O)c3nc12
Show InChI InChI=1S/C27H24F3N3O5/c1-14(2)21(24(35)27(28,29)30)31-20(34)13-33-19(15-8-5-4-6-9-15)12-18-16-10-7-11-17(26(37)38-3)22(16)32-23(18)25(33)36/h4-12,14,21,36H,13H2,1-3H3,(H,31,34)
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 130n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human leukocyte elastase (HLE) mediated hydrolysis of the synthetic substrate MeOSuc-Ala-Ala-Pro-Val-pNA

J Med Chem 38: 86-97 (1995)


BindingDB Entry DOI: 10.7270/Q2TD9WDR
More data for this
Ligand-Target Pair
Chymotrypsinogen A


(Bos taurus (bovine))		BDBM50036079
PNG
(2-(8-Cyano-1-oxo-3-phenyl-1,9-dihydro-beta-carboli...)
Show SMILES CC(C)C(NC(=O)Cn1c(O)c2nc3c(cccc3c2cc1-c1ccccc1)C#N)C(=O)C(F)(F)F
Show InChI InChI=1S/C26H21F3N4O3/c1-14(2)21(24(35)26(27,28)29)31-20(34)13-33-19(15-7-4-3-5-8-15)11-18-17-10-6-9-16(12-30)22(17)32-23(18)25(33)36/h3-11,14,21,36H,13H2,1-2H3,(H,31,34)
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 180n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine chymotrypsin

J Med Chem 38: 86-97 (1995)


BindingDB Entry DOI: 10.7270/Q2TD9WDR
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50036071
PNG
(2-(6-Chloro-1-oxo-1,9-dihydro-beta-carbolin-2-yl)-...)
Show SMILES CC(C)C(NC(=O)Cn1ccc2c3cc(Cl)ccc3nc2c1O)C(=O)C(F)(F)F
Show InChI InChI=1S/C19H17ClF3N3O3/c1-9(2)15(17(28)19(21,22)23)25-14(27)8-26-6-5-11-12-7-10(20)3-4-13(12)24-16(11)18(26)29/h3-7,9,15,29H,8H2,1-2H3,(H,25,27)
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 210n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human leukocyte elastase (HLE) mediated hydrolysis of the synthetic substrate MeOSuc-Ala-Ala-Pro-Val-pNA

J Med Chem 38: 86-97 (1995)


BindingDB Entry DOI: 10.7270/Q2TD9WDR
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50036074
PNG
(2-(1-Oxo-1,9-dihydro-beta-carbolin-2-yl)-N-(3,3,3-...)
Show SMILES CC(C)C(NC(=O)Cn1ccc2c(nc3ccccc23)c1O)C(=O)C(F)(F)F
Show InChI InChI=1S/C19H18F3N3O3/c1-10(2)15(17(27)19(20,21)22)24-14(26)9-25-8-7-12-11-5-3-4-6-13(11)23-16(12)18(25)28/h3-8,10,15,28H,9H2,1-2H3,(H,24,26)
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 290n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human leukocyte elastase (HLE) mediated hydrolysis of the synthetic substrate MeOSuc-Ala-Ala-Pro-Val-pNA

J Med Chem 38: 86-97 (1995)


BindingDB Entry DOI: 10.7270/Q2TD9WDR
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50036077
PNG
(1-Oxo-2-[(3,3,3-trifluoro-1-isopropyl-2-oxo-propyl...)
Show SMILES CCOC(=O)c1ccc2c(c1)nc1c(O)n(CC(=O)NC(C(C)C)C(=O)C(F)(F)F)ccc21
Show InChI InChI=1S/C22H22F3N3O5/c1-4-33-21(32)12-5-6-13-14-7-8-28(20(31)18(14)26-15(13)9-12)10-16(29)27-17(11(2)3)19(30)22(23,24)25/h5-9,11,17,31H,4,10H2,1-3H3,(H,27,29)
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 340n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human leukocyte elastase (HLE) mediated hydrolysis of the synthetic substrate MeOSuc-Ala-Ala-Pro-Val-pNA

J Med Chem 38: 86-97 (1995)


BindingDB Entry DOI: 10.7270/Q2TD9WDR
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50036064
PNG
(2-(6-Methoxy-1-oxo-1,9-dihydro-beta-carbolin-2-yl)...)
Show SMILES COc1ccc2nc3c(O)n(CC(=O)NC(C(C)C)C(=O)C(F)(F)F)ccc3c2c1
Show InChI InChI=1S/C20H20F3N3O4/c1-10(2)16(18(28)20(21,22)23)25-15(27)9-26-7-6-12-13-8-11(30-3)4-5-14(13)24-17(12)19(26)29/h4-8,10,16,29H,9H2,1-3H3,(H,25,27)
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 350n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human leukocyte elastase (HLE) mediated hydrolysis of the synthetic substrate MeOSuc-Ala-Ala-Pro-Val-pNA

J Med Chem 38: 86-97 (1995)


BindingDB Entry DOI: 10.7270/Q2TD9WDR
More data for this
Ligand-Target Pair
Chymotrypsinogen A


(Bos taurus (bovine))		BDBM50036068
PNG
(2-(1-Oxo-3-phenyl-1,9-dihydro-beta-carbolin-2-yl)-...)
Show SMILES CC(C)C(NC(=O)Cn1c(O)c2nc3ccccc3c2cc1-c1ccccc1)C(=O)C(F)(F)F
Show InChI InChI=1S/C25H22F3N3O3/c1-14(2)21(23(33)25(26,27)28)30-20(32)13-31-19(15-8-4-3-5-9-15)12-17-16-10-6-7-11-18(16)29-22(17)24(31)34/h3-12,14,21,34H,13H2,1-2H3,(H,30,32)
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 430n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine chymotrypsin

J Med Chem 38: 86-97 (1995)


BindingDB Entry DOI: 10.7270/Q2TD9WDR
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50036073
PNG
(1-Oxo-2-[(3,3,3-trifluoro-1-isopropyl-2-oxo-propyl...)
Show SMILES CC(C)C(NC(=O)Cn1ccc2c(nc3cc(ccc23)C(O)=O)c1O)C(=O)C(F)(F)F
Show InChI InChI=1S/C20H18F3N3O5/c1-9(2)15(17(28)20(21,22)23)25-14(27)8-26-6-5-12-11-4-3-10(19(30)31)7-13(11)24-16(12)18(26)29/h3-7,9,15,29H,8H2,1-2H3,(H,25,27)(H,30,31)
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 510n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human leukocyte elastase (HLE) mediated hydrolysis of the synthetic substrate MeOSuc-Ala-Ala-Pro-Val-pNA

J Med Chem 38: 86-97 (1995)


BindingDB Entry DOI: 10.7270/Q2TD9WDR
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50036062
PNG
(1-Oxo-2-[(3,3,3-trifluoro-1-isopropyl-2-oxo-propyl...)
Show SMILES CC(C)C(NC(=O)Cn1ccc2c3cccc(C(N)=O)c3nc2c1O)C(=O)C(F)(F)F
Show InChI InChI=1S/C20H19F3N4O4/c1-9(2)14(17(29)20(21,22)23)25-13(28)8-27-7-6-11-10-4-3-5-12(18(24)30)15(10)26-16(11)19(27)31/h3-7,9,14,31H,8H2,1-2H3,(H2,24,30)(H,25,28)
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 730n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human leukocyte elastase (HLE) mediated hydrolysis of the synthetic substrate MeOSuc-Ala-Ala-Pro-Val-pNA

J Med Chem 38: 86-97 (1995)


BindingDB Entry DOI: 10.7270/Q2TD9WDR
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50036061
PNG
(2-(6-Chloro-1-oxo-1,3,4,9-tetrahydro-beta-carbolin...)
Show SMILES CC(C)C(NC(=O)CN1CCc2c([nH]c3ccc(Cl)cc23)C1=O)C(=O)C(F)(F)F
Show InChI InChI=1S/C19H19ClF3N3O3/c1-9(2)15(17(28)19(21,22)23)25-14(27)8-26-6-5-11-12-7-10(20)3-4-13(12)24-16(11)18(26)29/h3-4,7,9,15,24H,5-6,8H2,1-2H3,(H,25,27)
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 1.00E+3n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human leukocyte elastase (HLE) mediated hydrolysis of the synthetic substrate MeOSuc-Ala-Ala-Pro-Val-pNA

J Med Chem 38: 86-97 (1995)


BindingDB Entry DOI: 10.7270/Q2TD9WDR
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50036083
PNG
(2-(6-Methoxy-1-oxo-1,3,4,9-tetrahydro-beta-carboli...)
Show SMILES COc1ccc2[nH]c3c(CCN(CC(=O)NC(C(C)C)C(=O)C(F)(F)F)C3=O)c2c1
Show InChI InChI=1S/C20H22F3N3O4/c1-10(2)16(18(28)20(21,22)23)25-15(27)9-26-7-6-12-13-8-11(30-3)4-5-14(13)24-17(12)19(26)29/h4-5,8,10,16,24H,6-7,9H2,1-3H3,(H,25,27)
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 1.10E+3n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human leukocyte elastase (HLE) mediated hydrolysis of the synthetic substrate MeOSuc-Ala-Ala-Pro-Val-pNA

J Med Chem 38: 86-97 (1995)


BindingDB Entry DOI: 10.7270/Q2TD9WDR
More data for this
Ligand-Target Pair
Chymotrypsinogen A


(Bos taurus (bovine))		BDBM50036067
PNG
(2-(3-Isopropyl-1-oxo-1,9-dihydro-beta-carbolin-2-y...)
Show SMILES CC(C)C(NC(=O)Cn1c(O)c2nc3ccccc3c2cc1C(C)C)C(=O)C(F)(F)F
Show InChI InChI=1S/C22H24F3N3O3/c1-11(2)16-9-14-13-7-5-6-8-15(13)26-19(14)21(31)28(16)10-17(29)27-18(12(3)4)20(30)22(23,24)25/h5-9,11-12,18,31H,10H2,1-4H3,(H,27,29)
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 1.10E+3n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine chymotrypsin

J Med Chem 38: 86-97 (1995)


BindingDB Entry DOI: 10.7270/Q2TD9WDR
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50036063
PNG
(2-(1-Oxo-1,3,4,9-tetrahydro-beta-carbolin-2-yl)-N-...)
Show SMILES CC(C)C(NC(=O)CN1CCc2c([nH]c3ccccc23)C1=O)C(=O)C(F)(F)F
Show InChI InChI=1S/C19H20F3N3O3/c1-10(2)15(17(27)19(20,21)22)24-14(26)9-25-8-7-12-11-5-3-4-6-13(11)23-16(12)18(25)28/h3-6,10,15,23H,7-9H2,1-2H3,(H,24,26)
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 1.10E+3n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human leukocyte elastase (HLE) mediated hydrolysis of the synthetic substrate MeOSuc-Ala-Ala-Pro-Val-pNA

J Med Chem 38: 86-97 (1995)


BindingDB Entry DOI: 10.7270/Q2TD9WDR
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50036082
PNG
(1-Oxo-2-[(3,3,3-trifluoro-1-isopropyl-2-oxo-propyl...)
Show SMILES CCOC(=O)c1cccc2c3ccn(CC(=O)NC(C(C)C)C(=O)C(F)(F)F)c(O)c3nc12
Show InChI InChI=1S/C22H22F3N3O5/c1-4-33-21(32)14-7-5-6-12-13-8-9-28(20(31)18(13)27-17(12)14)10-15(29)26-16(11(2)3)19(30)22(23,24)25/h5-9,11,16,31H,4,10H2,1-3H3,(H,26,29)
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 2.50E+3n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human leukocyte elastase (HLE) mediated hydrolysis of the synthetic substrate MeOSuc-Ala-Ala-Pro-Val-pNA

J Med Chem 38: 86-97 (1995)


BindingDB Entry DOI: 10.7270/Q2TD9WDR
More data for this
Ligand-Target Pair
Chymotrypsinogen A


(Bos taurus (bovine))		BDBM50036075
PNG
(CHEMBL368630 | {1-Oxo-3-phenyl-2-[(3,3,3-trifluoro...)
Show SMILES COP(=O)(OC)c1cccc2c3cc(-c4ccccc4)n(CC(=O)NC(C(C)C)C(=O)C(F)(F)F)c(O)c3nc12
Show InChI InChI=1S/C27H27F3N3O6P/c1-15(2)22(25(35)27(28,29)30)31-21(34)14-33-19(16-9-6-5-7-10-16)13-18-17-11-8-12-20(40(37,38-3)39-4)23(17)32-24(18)26(33)36/h5-13,15,22,36H,14H2,1-4H3,(H,31,34)
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 2.60E+4n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine chymotrypsin

J Med Chem 38: 86-97 (1995)


BindingDB Entry DOI: 10.7270/Q2TD9WDR
More data for this
Ligand-Target Pair
Chymotrypsinogen A


(Bos taurus (bovine))		BDBM50036078
PNG
(1-Oxo-3-phenyl-2-[(3,3,3-trifluoro-1-isopropyl-2-o...)
Show SMILES CC(C)C(NC(=O)Cn1c(O)c2nc3c(cccc3c2cc1-c1ccccc1)C(O)=O)C(=O)C(F)(F)F
Show InChI InChI=1S/C26H22F3N3O5/c1-13(2)20(23(34)26(27,28)29)30-19(33)12-32-18(14-7-4-3-5-8-14)11-17-15-9-6-10-16(25(36)37)21(15)31-22(17)24(32)35/h3-11,13,20,35H,12H2,1-2H3,(H,30,33)(H,36,37)
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 4.30E+4n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine chymotrypsin

J Med Chem 38: 86-97 (1995)


BindingDB Entry DOI: 10.7270/Q2TD9WDR
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)		BDBM50036060
PNG
(1-Oxo-2-[(3,3,3-trifluoro-1-isopropyl-2-oxo-propyl...)
Show SMILES CC(C)C(NC(=O)Cn1ccc2c(nc3c(cccc23)C(O)=O)c1O)C(=O)C(F)(F)F
Show InChI InChI=1S/C20H18F3N3O5/c1-9(2)14(17(28)20(21,22)23)24-13(27)8-26-7-6-11-10-4-3-5-12(19(30)31)15(10)25-16(11)18(26)29/h3-7,9,14,29H,8H2,1-2H3,(H,24,27)(H,30,31)
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 9.40E+4n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against rabbit Angiotensin I converting enzyme

J Med Chem 38: 86-97 (1995)


BindingDB Entry DOI: 10.7270/Q2TD9WDR
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens (Human))		BDBM50036060
PNG
(1-Oxo-2-[(3,3,3-trifluoro-1-isopropyl-2-oxo-propyl...)
Show SMILES CC(C)C(NC(=O)Cn1ccc2c(nc3c(cccc23)C(O)=O)c1O)C(=O)C(F)(F)F
Show InChI InChI=1S/C20H18F3N3O5/c1-9(2)14(17(28)20(21,22)23)24-13(27)8-26-7-6-11-10-4-3-5-12(19(30)31)15(10)25-16(11)18(26)29/h3-7,9,14,29H,8H2,1-2H3,(H,24,27)(H,30,31)
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 1.30E+5n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against human cathepsin G.

J Med Chem 38: 86-97 (1995)


BindingDB Entry DOI: 10.7270/Q2TD9WDR
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%