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PubMed code 7837243

Compile data set for download or QSAR
Found 25 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))		BDBM50036037
PNG
(CHEMBL165759 | {(S)-1-[(S)-2-((S)-3-Benzylcarbamoy...)
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)C(=O)NCc1ccccc1
Show InChI InChI=1S/C32H40F2N4O6/c1-20(2)25(27(39)32(33,34)30(42)35-18-22-12-7-5-8-13-22)36-28(40)24-16-11-17-38(24)29(41)26(21(3)4)37-31(43)44-19-23-14-9-6-10-15-23/h5-10,12-15,20-21,24-26H,11,16-19H2,1-4H3,(H,35,42)(H,36,40)(H,37,43)/t24-,25-,26-/m0/s1
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 0.400n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human neutrophil elastase (HNE) catalyzed hydrolysis of the synthetic substrate MeO-Suc-Ala- Ala-Pro-Val-pN

J Med Chem 38: 76-85 (1995)


BindingDB Entry DOI: 10.7270/Q2Z60N41
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50036049
PNG
(((S)-1-{(S)-2-[(S)-1-(4,5-Dihydro-oxazole-2-carbon...)
Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)C1=NCCO1 |t:33|
Show InChI InChI=1S/C26H36N4O6/c1-16(2)20(22(31)24-27-12-14-35-24)28-23(32)19-11-8-13-30(19)25(33)21(17(3)4)29-26(34)36-15-18-9-6-5-7-10-18/h5-7,9-10,16-17,19-21H,8,11-15H2,1-4H3,(H,28,32)(H,29,34)/t19-,20-,21-/m0/s1
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 0.550n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human neutrophil elastase (HNE) catalyzed hydrolysis of the synthetic substrate MeO-Suc-Ala- Ala-Pro-Val-pN

J Med Chem 38: 76-85 (1995)


BindingDB Entry DOI: 10.7270/Q2Z60N41
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50036047
PNG
((S)-3-{[(S)-1-((S)-2-Benzyloxycarbonylamino-3-meth...)
Show SMILES COC(=O)C(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(C)C
Show InChI InChI=1S/C25H35N3O7/c1-15(2)19(21(29)24(32)34-5)26-22(30)18-12-9-13-28(18)23(31)20(16(3)4)27-25(33)35-14-17-10-7-6-8-11-17/h6-8,10-11,15-16,18-20H,9,12-14H2,1-5H3,(H,26,30)(H,27,33)/t18-,19-,20-/m0/s1
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 0.600n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human neutrophil elastase (HNE) catalyzed hydrolysis of the synthetic substrate MeO-Suc-Ala- Ala-Pro-Val-pN

J Med Chem 38: 76-85 (1995)


BindingDB Entry DOI: 10.7270/Q2Z60N41
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50036044
PNG
(((S)-2-Methyl-1-{(S)-2-[(S)-2-methyl-1-((S)-4-meth...)
Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)C1=N[C@@H](C)CO1 |t:33|
Show InChI InChI=1S/C27H38N4O6/c1-16(2)21(23(32)25-28-18(5)14-36-25)29-24(33)20-12-9-13-31(20)26(34)22(17(3)4)30-27(35)37-15-19-10-7-6-8-11-19/h6-8,10-11,16-18,20-22H,9,12-15H2,1-5H3,(H,29,33)(H,30,35)/t18-,20-,21-,22-/m0/s1
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 1.20n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human neutrophil elastase (HNE) catalyzed hydrolysis of the synthetic substrate MeO-Suc-Ala- Ala-Pro-Val-pN

J Med Chem 38: 76-85 (1995)


BindingDB Entry DOI: 10.7270/Q2Z60N41
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
In vitro inhibitory activity against human neutrophil elastase (HNE) catalyzed hydrolysis of the synthetic substrate MeO-Suc-Ala- Ala-Pro-Val-pN

J Med Chem 38: 76-85 (1995)


BindingDB Entry DOI: 10.7270/Q2Z60N41
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50036041
PNG
(CHEMBL169887 | {(S)-1-[(S)-2-((S)-1-Isopropyl-2,3-...)
Show SMILES CCCCC(=O)C(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(C)C
Show InChI InChI=1S/C28H41N3O6/c1-6-7-15-22(32)25(33)23(18(2)3)29-26(34)21-14-11-16-31(21)27(35)24(19(4)5)30-28(36)37-17-20-12-9-8-10-13-20/h8-10,12-13,18-19,21,23-24H,6-7,11,14-17H2,1-5H3,(H,29,34)(H,30,36)/t21-,23-,24-/m0/s1
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 1.60n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human neutrophil elastase (HNE) catalyzed hydrolysis of the synthetic substrate MeO-Suc-Ala- Ala-Pro-Val-pN

J Med Chem 38: 76-85 (1995)


BindingDB Entry DOI: 10.7270/Q2Z60N41
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50036056
PNG
(CHEMBL424550 | {(S)-1-[(S)-2-((S)-1-Aminooxalyl-2-...)
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(N)=O
Show InChI InChI=1S/C24H34N4O6/c1-14(2)18(20(29)21(25)30)26-22(31)17-11-8-12-28(17)23(32)19(15(3)4)27-24(33)34-13-16-9-6-5-7-10-16/h5-7,9-10,14-15,17-19H,8,11-13H2,1-4H3,(H2,25,30)(H,26,31)(H,27,33)/t17-,18-,19-/m0/s1
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 1.80n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human neutrophil elastase (HNE) catalyzed hydrolysis of the synthetic substrate MeO-Suc-Ala- Ala-Pro-Val-pN

J Med Chem 38: 76-85 (1995)


BindingDB Entry DOI: 10.7270/Q2Z60N41
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50031199
PNG
(((S)-1-{(S)-2-[(S)-1-(Benzooxazole-2-carbonyl)-2-m...)
Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)c1nc2ccccc2o1
Show InChI InChI=1S/C30H36N4O6/c1-18(2)24(26(35)28-31-21-13-8-9-15-23(21)40-28)32-27(36)22-14-10-16-34(22)29(37)25(19(3)4)33-30(38)39-17-20-11-6-5-7-12-20/h5-9,11-13,15,18-19,22,24-25H,10,14,16-17H2,1-4H3,(H,32,36)(H,33,38)/t22-,24-,25-/m0/s1
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 3n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human neutrophil elastase (HNE) catalyzed hydrolysis of the synthetic substrate MeO-Suc-Ala- Ala-Pro-Val-pN

J Med Chem 38: 76-85 (1995)


BindingDB Entry DOI: 10.7270/Q2Z60N41
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50036051
PNG
(((S)-1-{(S)-2-[(S)-1-(Benzothiazole-2-carbonyl)-2-...)
Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)c1nc2ccccc2s1
Show InChI InChI=1S/C30H36N4O5S/c1-18(2)24(26(35)28-31-21-13-8-9-15-23(21)40-28)32-27(36)22-14-10-16-34(22)29(37)25(19(3)4)33-30(38)39-17-20-11-6-5-7-12-20/h5-9,11-13,15,18-19,22,24-25H,10,14,16-17H2,1-4H3,(H,32,36)(H,33,38)/t22-,24-,25-/m0/s1
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 25n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human neutrophil elastase (HNE) catalyzed hydrolysis of the synthetic substrate MeO-Suc-Ala- Ala-Pro-Val-pN

J Med Chem 38: 76-85 (1995)


BindingDB Entry DOI: 10.7270/Q2Z60N41
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50036040
PNG
(((S)-2-Methyl-1-{(S)-2-[(S)-2-methyl-1-(oxazole-2-...)
Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)c1ncco1
Show InChI InChI=1S/C26H34N4O6/c1-16(2)20(22(31)24-27-12-14-35-24)28-23(32)19-11-8-13-30(19)25(33)21(17(3)4)29-26(34)36-15-18-9-6-5-7-10-18/h5-7,9-10,12,14,16-17,19-21H,8,11,13,15H2,1-4H3,(H,28,32)(H,29,34)/t19-,20-,21-/m0/s1
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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 neutrophil elastase (HNE) catalyzed hydrolysis of the synthetic substrate MeO-Suc-Ala- Ala-Pro-Val-pN

J Med Chem 38: 76-85 (1995)


BindingDB Entry DOI: 10.7270/Q2Z60N41
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50036057
PNG
(CHEMBL165525 | benzyl (S)-1-((S)-2-(((S)-3-methyl-...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C=O
Show InChI InChI=1S/C23H33N3O5/c1-15(2)18(13-27)24-21(28)19-11-8-12-26(19)22(29)20(16(3)4)25-23(30)31-14-17-9-6-5-7-10-17/h5-7,9-10,13,15-16,18-20H,8,11-12,14H2,1-4H3,(H,24,28)(H,25,30)/t18-,19+,20+/m1/s1
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 41n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human neutrophil elastase (HNE) catalyzed hydrolysis of the synthetic substrate MeO-Suc-Ala- Ala-Pro-Val-pN

J Med Chem 38: 76-85 (1995)


BindingDB Entry DOI: 10.7270/Q2Z60N41
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50036039
PNG
(((S)-2-Methyl-1-{(S)-2-[(S)-2-methyl-1-(2-methyl-2...)
Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)c1nnn(C)n1
Show InChI InChI=1S/C25H35N7O5/c1-15(2)19(21(33)22-28-30-31(5)29-22)26-23(34)18-12-9-13-32(18)24(35)20(16(3)4)27-25(36)37-14-17-10-7-6-8-11-17/h6-8,10-11,15-16,18-20H,9,12-14H2,1-5H3,(H,26,34)(H,27,36)/t18-,19-,20-/m0/s1
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 49n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human neutrophil elastase (HNE) catalyzed hydrolysis of the synthetic substrate MeO-Suc-Ala- Ala-Pro-Val-pN

J Med Chem 38: 76-85 (1995)


BindingDB Entry DOI: 10.7270/Q2Z60N41
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50036059
PNG
(((S)-2-Methyl-1-{(S)-2-[(S)-2-methyl-1-(thiazole-2...)
Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)c1nccs1
Show InChI InChI=1S/C26H34N4O5S/c1-16(2)20(22(31)24-27-12-14-36-24)28-23(32)19-11-8-13-30(19)25(33)21(17(3)4)29-26(34)35-15-18-9-6-5-7-10-18/h5-7,9-10,12,14,16-17,19-21H,8,11,13,15H2,1-4H3,(H,28,32)(H,29,34)/t19-,20-,21-/m0/s1
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 270n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human neutrophil elastase (HNE) catalyzed hydrolysis of the synthetic substrate MeO-Suc-Ala- Ala-Pro-Val-pN

J Med Chem 38: 76-85 (1995)


BindingDB Entry DOI: 10.7270/Q2Z60N41
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50036045
PNG
(((S)-2-Methyl-1-{(S)-2-[(S)-2-methyl-1-(5-phenyl-o...)
Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)c1ncoc1-c1ccccc1
Show InChI InChI=1S/C32H38N4O6/c1-20(2)25(28(37)27-29(42-19-33-27)23-14-9-6-10-15-23)34-30(38)24-16-11-17-36(24)31(39)26(21(3)4)35-32(40)41-18-22-12-7-5-8-13-22/h5-10,12-15,19-21,24-26H,11,16-18H2,1-4H3,(H,34,38)(H,35,40)/t24-,25-,26-/m0/s1
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 330n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human neutrophil elastase (HNE) catalyzed hydrolysis of the synthetic substrate MeO-Suc-Ala- Ala-Pro-Val-pN

J Med Chem 38: 76-85 (1995)


BindingDB Entry DOI: 10.7270/Q2Z60N41
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50036036
PNG
(((S)-2-Methyl-1-{(S)-2-[(S)-2-methyl-1-(1-methyl-1...)
Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)c1nnnn1C
Show InChI InChI=1S/C25H35N7O5/c1-15(2)19(21(33)22-28-29-30-31(22)5)26-23(34)18-12-9-13-32(18)24(35)20(16(3)4)27-25(36)37-14-17-10-7-6-8-11-17/h6-8,10-11,15-16,18-20H,9,12-14H2,1-5H3,(H,26,34)(H,27,36)/t18-,19-,20-/m0/s1
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 410n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human neutrophil elastase (HNE) catalyzed hydrolysis of the synthetic substrate MeO-Suc-Ala- Ala-Pro-Val-pN

J Med Chem 38: 76-85 (1995)


BindingDB Entry DOI: 10.7270/Q2Z60N41
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50036043
PNG
(((S)-1-{(S)-2-[(S)-1-(Benzofuran-2-carbonyl)-2-met...)
Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)c1cc2ccccc2o1
Show InChI InChI=1S/C31H37N3O6/c1-19(2)26(28(35)25-17-22-13-8-9-15-24(22)40-25)32-29(36)23-14-10-16-34(23)30(37)27(20(3)4)33-31(38)39-18-21-11-6-5-7-12-21/h5-9,11-13,15,17,19-20,23,26-27H,10,14,16,18H2,1-4H3,(H,32,36)(H,33,38)/t23-,26-,27-/m0/s1
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 3.40E+3n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human neutrophil elastase (HNE) catalyzed hydrolysis of the synthetic substrate MeO-Suc-Ala- Ala-Pro-Val-pN

J Med Chem 38: 76-85 (1995)


BindingDB Entry DOI: 10.7270/Q2Z60N41
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50036038
PNG
(((S)-2-Methyl-1-{(S)-2-[(S)-2-methyl-1-(thiophene-...)
Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)c1cccs1
Show InChI InChI=1S/C27H35N3O5S/c1-17(2)22(24(31)21-13-9-15-36-21)28-25(32)20-12-8-14-30(20)26(33)23(18(3)4)29-27(34)35-16-19-10-6-5-7-11-19/h5-7,9-11,13,15,17-18,20,22-23H,8,12,14,16H2,1-4H3,(H,28,32)(H,29,34)/t20-,22-,23-/m0/s1
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 4.30E+3n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human neutrophil elastase (HNE) catalyzed hydrolysis of the synthetic substrate MeO-Suc-Ala- Ala-Pro-Val-pN

J Med Chem 38: 76-85 (1995)


BindingDB Entry DOI: 10.7270/Q2Z60N41
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50036042
PNG
(((S)-1-{(S)-2-[(S)-1-(1H-Benzoimidazole-2-carbonyl...)
Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)c1nc2ccccc2[nH]1
Show InChI InChI=1S/C30H37N5O5/c1-18(2)24(26(36)27-31-21-13-8-9-14-22(21)32-27)33-28(37)23-15-10-16-35(23)29(38)25(19(3)4)34-30(39)40-17-20-11-6-5-7-12-20/h5-9,11-14,18-19,23-25H,10,15-17H2,1-4H3,(H,31,32)(H,33,37)(H,34,39)/t23-,24-,25-/m0/s1
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 5.60E+3n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human neutrophil elastase (HNE) catalyzed hydrolysis of the synthetic substrate MeO-Suc-Ala- Ala-Pro-Val-pN

J Med Chem 38: 76-85 (1995)


BindingDB Entry DOI: 10.7270/Q2Z60N41
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50036055
PNG
(CHEMBL355477 | benzyl (S)-1-((S)-2-(((S)-4-methyl-...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(C)=O
Show InChI InChI=1S/C24H35N3O5/c1-15(2)20(17(5)28)25-22(29)19-12-9-13-27(19)23(30)21(16(3)4)26-24(31)32-14-18-10-7-6-8-11-18/h6-8,10-11,15-16,19-21H,9,12-14H2,1-5H3,(H,25,29)(H,26,31)/t19-,20-,21-/m0/s1
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 8.00E+3n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human neutrophil elastase (HNE) catalyzed hydrolysis of the synthetic substrate MeO-Suc-Ala- Ala-Pro-Val-pN

J Med Chem 38: 76-85 (1995)


BindingDB Entry DOI: 10.7270/Q2Z60N41
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50036052
PNG
(((S)-2-Methyl-1-{(S)-2-[(S)-2-methyl-1-(1-methyl-1...)
Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)c1nc2ccccc2n1C
Show InChI InChI=1S/C31H39N5O5/c1-19(2)25(27(37)28-32-22-14-9-10-15-23(22)35(28)5)33-29(38)24-16-11-17-36(24)30(39)26(20(3)4)34-31(40)41-18-21-12-7-6-8-13-21/h6-10,12-15,19-20,24-26H,11,16-18H2,1-5H3,(H,33,38)(H,34,40)/t24-,25-,26-/m0/s1
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 1.20E+4n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human neutrophil elastase (HNE) catalyzed hydrolysis of the synthetic substrate MeO-Suc-Ala- Ala-Pro-Val-pN

J Med Chem 38: 76-85 (1995)


BindingDB Entry DOI: 10.7270/Q2Z60N41
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50036053
PNG
(CHEMBL355765 | {(S)-1-[(S)-2-((S)-1-Benzoyl-2-meth...)
Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)c1ccccc1
Show InChI InChI=1S/C29H37N3O5/c1-19(2)24(26(33)22-14-9-6-10-15-22)30-27(34)23-16-11-17-32(23)28(35)25(20(3)4)31-29(36)37-18-21-12-7-5-8-13-21/h5-10,12-15,19-20,23-25H,11,16-18H2,1-4H3,(H,30,34)(H,31,36)/t23-,24-,25-/m0/s1
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 1.60E+4n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human neutrophil elastase (HNE-catalyzed hydrolysis of the synthetic substrate MeO-Suc-Ala- Ala-Pro-Val-pN)

J Med Chem 38: 76-85 (1995)


BindingDB Entry DOI: 10.7270/Q2Z60N41
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50036046
PNG
(((S)-1-{(S)-2-[(S)-1-(Benzooxazol-2-yl-hydroxy-met...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(O)c1nc2ccccc2o1
Show InChI InChI=1S/C30H38N4O6/c1-18(2)24(26(35)28-31-21-13-8-9-15-23(21)40-28)32-27(36)22-14-10-16-34(22)29(37)25(19(3)4)33-30(38)39-17-20-11-6-5-7-12-20/h5-9,11-13,15,18-19,22,24-26,35H,10,14,16-17H2,1-4H3,(H,32,36)(H,33,38)/t22-,24-,25-,26?/m0/s1
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 2.10E+4n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human neutrophil elastase (HNE) catalyzed hydrolysis of the synthetic substrate MeO-Suc-Ala- Ala-Pro-Val-pN

J Med Chem 38: 76-85 (1995)


BindingDB Entry DOI: 10.7270/Q2Z60N41
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50036054
PNG
(((S)-2-Methyl-1-{(S)-2-[(S)-2-methyl-1-(pyridine-2...)
Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)c1ccccn1
Show InChI InChI=1S/C28H36N4O5/c1-18(2)23(25(33)21-13-8-9-15-29-21)30-26(34)22-14-10-16-32(22)27(35)24(19(3)4)31-28(36)37-17-20-11-6-5-7-12-20/h5-9,11-13,15,18-19,22-24H,10,14,16-17H2,1-4H3,(H,30,34)(H,31,36)/t22-,23-,24-/m0/s1
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 2.20E+4n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human neutrophil elastase (HNE) catalyzed hydrolysis of the synthetic substrate MeO-Suc-Ala- Ala-Pro-Val-pN

J Med Chem 38: 76-85 (1995)


BindingDB Entry DOI: 10.7270/Q2Z60N41
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50036050
PNG
(((S)-2-Methyl-1-{(S)-2-[(S)-2-methyl-1-(1-methyl-1...)
Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)c1nccn1C
Show InChI InChI=1S/C27H37N5O5/c1-17(2)21(23(33)24-28-13-15-31(24)5)29-25(34)20-12-9-14-32(20)26(35)22(18(3)4)30-27(36)37-16-19-10-7-6-8-11-19/h6-8,10-11,13,15,17-18,20-22H,9,12,14,16H2,1-5H3,(H,29,34)(H,30,36)/t20-,21-,22-/m0/s1
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 8.00E+4n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human neutrophil elastase (HNE) catalyzed hydrolysis of the synthetic substrate MeO-Suc-Ala- Ala-Pro-Val-pN

J Med Chem 38: 76-85 (1995)


BindingDB Entry DOI: 10.7270/Q2Z60N41
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50036048
PNG
(((S)-1-{(S)-2-[(S)-1-(3-Ethoxy-pyridine-2-carbonyl...)
Show SMILES CCOc1cccnc1C(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(C)C
Show InChI InChI=1S/C30H40N4O6/c1-6-39-23-15-10-16-31-26(23)27(35)24(19(2)3)32-28(36)22-14-11-17-34(22)29(37)25(20(4)5)33-30(38)40-18-21-12-8-7-9-13-21/h7-10,12-13,15-16,19-20,22,24-25H,6,11,14,17-18H2,1-5H3,(H,32,36)(H,33,38)/t22-,24-,25-/m0/s1
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 8.70E+4n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human neutrophil elastase (HNE) catalyzed hydrolysis of the synthetic substrate MeO-Suc-Ala- Ala-Pro-Val-pN

J Med Chem 38: 76-85 (1995)


BindingDB Entry DOI: 10.7270/Q2Z60N41
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%