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Articleid 50029056

Compile data set for download or QSAR
Found 32 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))		BDBM50281044
PNG
((2S,5R,6S)-3,3-Dimethyl-4,4,7-trioxo-6-(toluene-4-...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)O[C@@H]1[C@@H]2N([C@@H](C(=O)OCc3ccccc3)C(C)(C)S2(=O)=O)C1=O
Show InChI InChI=1S/C22H23NO8S2/c1-14-9-11-16(12-10-14)33(28,29)31-17-19(24)23-18(22(2,3)32(26,27)20(17)23)21(25)30-13-15-7-5-4-6-8-15/h4-12,17-18,20H,13H2,1-3H3/t17-,18-,20+/m0/s1
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n/an/a 50n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration required against Human Leukocyte Elastase (HLE) for 50% reduction in rate of hydrolysis of (suc-Ala-Ala-Pro-Ala-p-NA) peptid...

Bioorg Med Chem Lett 3: 2283-2288 (1993)


Article DOI: 10.1016/S0960-894X(01)80940-9
BindingDB Entry DOI: 10.7270/Q2S46RW5
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50281037
PNG
((2S,5R,6S)-3,3-Dimethyl-4,4,7-trioxo-6-(2,2,2-trif...)
Show SMILES CC1(C)[C@@H](N2[C@@H]([C@@H](NC(=O)C(F)(F)F)C2=O)S1(=O)=O)C(=O)OCC(F)(F)F
Show InChI InChI=1S/C12H12F6N2O6S/c1-10(2)5(8(22)26-3-11(13,14)15)20-6(21)4(7(20)27(10,24)25)19-9(23)12(16,17)18/h4-5,7H,3H2,1-2H3,(H,19,23)/t4-,5-,7+/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration required against Human Leukocyte Elastase (HLE) for 50% reduction in rate of hydrolysis of (suc-Ala-Ala-Pro-Ala-p-NA) peptid...

Bioorg Med Chem Lett 3: 2283-2288 (1993)


Article DOI: 10.1016/S0960-894X(01)80940-9
BindingDB Entry DOI: 10.7270/Q2S46RW5
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50281041
PNG
((2S,5R,6S)-3,3-Dimethyl-4,4,7-trioxo-6-(2,2,2-trif...)
Show SMILES CC1(C)[C@@H](N2[C@@H]([C@@H](NC(=O)C(F)(F)F)C2=O)S1(=O)=O)C(=O)OCc1ccccc1
Show InChI InChI=1S/C17H17F3N2O6S/c1-16(2)11(14(24)28-8-9-6-4-3-5-7-9)22-12(23)10(13(22)29(16,26)27)21-15(25)17(18,19)20/h3-7,10-11,13H,8H2,1-2H3,(H,21,25)/t10-,11-,13+/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration required against Human Leukocyte Elastase (HLE) for 50% reduction in rate of hydrolysis of (suc-Ala-Ala-Pro-Ala-p-NA) peptid...

Bioorg Med Chem Lett 3: 2283-2288 (1993)


Article DOI: 10.1016/S0960-894X(01)80940-9
BindingDB Entry DOI: 10.7270/Q2S46RW5
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50281025
PNG
((2S,5R,6S)-6-Acetoxy-3,3-dimethyl-4,4,7-trioxo-4la...)
Show SMILES CC(=O)O[C@@H]1[C@@H]2N([C@@H](C(=O)OCc3ccccc3)C(C)(C)S2(=O)=O)C1=O
Show InChI InChI=1S/C17H19NO7S/c1-10(19)25-12-14(20)18-13(17(2,3)26(22,23)15(12)18)16(21)24-9-11-7-5-4-6-8-11/h4-8,12-13,15H,9H2,1-3H3/t12-,13-,15+/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration required against Human Leukocyte Elastase (HLE) for 50% reduction in rate of hydrolysis of (suc-Ala-Ala-Pro-Ala-p-NA) peptid...

Bioorg Med Chem Lett 3: 2283-2288 (1993)


Article DOI: 10.1016/S0960-894X(01)80940-9
BindingDB Entry DOI: 10.7270/Q2S46RW5
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50281024
PNG
((2S,5R,6S)-3,3-Dimethyl-6-[methyl-(2,2,2-trifluoro...)
Show SMILES CN([C@@H]1[C@@H]2N([C@@H](C(=O)OCc3ccccc3)C(C)(C)S2(=O)=O)C1=O)C(=O)C(F)(F)F
Show InChI InChI=1S/C18H19F3N2O6S/c1-17(2)12(15(25)29-9-10-7-5-4-6-8-10)23-13(24)11(14(23)30(17,27)28)22(3)16(26)18(19,20)21/h4-8,11-12,14H,9H2,1-3H3/t11-,12-,14+/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration required against Human Leukocyte Elastase (HLE) for 50% reduction in rate of hydrolysis of (suc-Ala-Ala-Pro-Ala-p-NA) peptid...

Bioorg Med Chem Lett 3: 2283-2288 (1993)


Article DOI: 10.1016/S0960-894X(01)80940-9
BindingDB Entry DOI: 10.7270/Q2S46RW5
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50403123
PNG
(CHEMBL2115563)
Show SMILES C[C@H](OC(=O)NCc1ccccc1)[C@H]1[C@@H]2N([C@@H](C(=O)OCc3ccccc3)C(C)(C)S2(=O)=O)C1=O
Show InChI InChI=1S/C25H28N2O7S/c1-16(34-24(30)26-14-17-10-6-4-7-11-17)19-21(28)27-20(25(2,3)35(31,32)22(19)27)23(29)33-15-18-12-8-5-9-13-18/h4-13,16,19-20,22H,14-15H2,1-3H3,(H,26,30)/t16-,19+,20-,22+/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration required against Human Leukocyte Elastase (HLE) for 50% reduction in rate of hydrolysis of (suc-Ala-Ala-Pro-Ala-p-NA) peptid...

Bioorg Med Chem Lett 3: 2283-2288 (1993)


Article DOI: 10.1016/S0960-894X(01)80940-9
BindingDB Entry DOI: 10.7270/Q2S46RW5
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50281029
PNG
((2S,5R,6R)-3,3-Dimethyl-6-[methyl-(2,2,2-trifluoro...)
Show SMILES CN([C@H]1[C@@H]2N([C@@H](C(=O)OCc3ccccc3)C(C)(C)S2(=O)=O)C1=O)C(=O)C(F)(F)F
Show InChI InChI=1S/C18H19F3N2O6S/c1-17(2)12(15(25)29-9-10-7-5-4-6-8-10)23-13(24)11(14(23)30(17,27)28)22(3)16(26)18(19,20)21/h4-8,11-12,14H,9H2,1-3H3/t11-,12+,14-/m1/s1
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n/an/a 700n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration required against Human Leukocyte Elastase (HLE) for 50% reduction in rate of hydrolysis of (suc-Ala-Ala-Pro-Ala-p-NA) peptid...

Bioorg Med Chem Lett 3: 2283-2288 (1993)


Article DOI: 10.1016/S0960-894X(01)80940-9
BindingDB Entry DOI: 10.7270/Q2S46RW5
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50403120
PNG
(CHEMBL2115561)
Show SMILES C[C@@H](OC(=O)NCc1ccccc1)[C@@H]1[C@@H]2N([C@@H](C(=O)OCc3ccccc3)C(C)(C)S2(=O)=O)C1=O
Show InChI InChI=1S/C25H28N2O7S/c1-16(34-24(30)26-14-17-10-6-4-7-11-17)19-21(28)27-20(25(2,3)35(31,32)22(19)27)23(29)33-15-18-12-8-5-9-13-18/h4-13,16,19-20,22H,14-15H2,1-3H3,(H,26,30)/t16-,19+,20+,22-/m1/s1
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TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration required against Human Leukocyte Elastase (HLE) for 50% reduction in rate of hydrolysis of (suc-Ala-Ala-Pro-Ala-p-NA) peptid...

Bioorg Med Chem Lett 3: 2283-2288 (1993)


Article DOI: 10.1016/S0960-894X(01)80940-9
BindingDB Entry DOI: 10.7270/Q2S46RW5
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50281049
PNG
((2S,5R,6R)-6-Benzylcarbamoyloxymethyl-3,3-dimethyl...)
Show SMILES CC1(C)[C@@H](N2[C@@H]([C@H](COC(=O)NCc3ccccc3)C2=O)S1(=O)=O)C(=O)OCc1ccccc1
Show InChI InChI=1S/C24H26N2O7S/c1-24(2)19(22(28)32-14-17-11-7-4-8-12-17)26-20(27)18(21(26)34(24,30)31)15-33-23(29)25-13-16-9-5-3-6-10-16/h3-12,18-19,21H,13-15H2,1-2H3,(H,25,29)/t18-,19+,21-/m1/s1
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n/an/a 700n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration required against Human Leukocyte Elastase (HLE) for 50% reduction in rate of hydrolysis of (suc-Ala-Ala-Pro-Ala-p-NA) peptid...

Bioorg Med Chem Lett 3: 2283-2288 (1993)


Article DOI: 10.1016/S0960-894X(01)80940-9
BindingDB Entry DOI: 10.7270/Q2S46RW5
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50281021
PNG
((2S,5R,6R)-6-Methoxy-3,3-dimethyl-4,4,7-trioxo-6-(...)
Show SMILES CO[C@@]1(NC(=O)C(F)(F)F)[C@@H]2N([C@@H](C(=O)OCc3ccccc3)C(C)(C)S2(=O)=O)C1=O
Show InChI InChI=1S/C18H19F3N2O7S/c1-16(2)11(12(24)30-9-10-7-5-4-6-8-10)23-14(26)17(29-3,15(23)31(16,27)28)22-13(25)18(19,20)21/h4-8,11,15H,9H2,1-3H3,(H,22,25)/t11-,15+,17+/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration required against Human Leukocyte Elastase (HLE) for 50% reduction in rate of hydrolysis of (suc-Ala-Ala-Pro-Ala-p-NA) peptid...

Bioorg Med Chem Lett 3: 2283-2288 (1993)


Article DOI: 10.1016/S0960-894X(01)80940-9
BindingDB Entry DOI: 10.7270/Q2S46RW5
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50281035
PNG
((2S,5R,6R)-3,3-Dimethyl-4,4,7-trioxo-6-(2,2,2-trif...)
Show SMILES CC1(C)[C@@H](N2[C@@H]([C@H](NC(=O)C(F)(F)F)C2=O)S1(=O)=O)C(=O)OCc1ccccc1
Show InChI InChI=1S/C17H17F3N2O6S/c1-16(2)11(14(24)28-8-9-6-4-3-5-7-9)22-12(23)10(13(22)29(16,26)27)21-15(25)17(18,19)20/h3-7,10-11,13H,8H2,1-2H3,(H,21,25)/t10-,11+,13-/m1/s1
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n/an/a 2.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration required against Human Leukocyte Elastase (HLE) for 50% reduction in rate of hydrolysis of (suc-Ala-Ala-Pro-Ala-p-NA) peptid...

Bioorg Med Chem Lett 3: 2283-2288 (1993)


Article DOI: 10.1016/S0960-894X(01)80940-9
BindingDB Entry DOI: 10.7270/Q2S46RW5
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50281040
PNG
((2S,5R,6S)-6-Ethoxy-3,3-dimethyl-4,4,7-trioxo-4lam...)
Show SMILES CCO[C@@H]1[C@@H]2N([C@@H](C(=O)OCc3ccccc3)C(C)(C)S2(=O)=O)C1=O
Show InChI InChI=1S/C17H21NO6S/c1-4-23-12-14(19)18-13(17(2,3)25(21,22)15(12)18)16(20)24-10-11-8-6-5-7-9-11/h5-9,12-13,15H,4,10H2,1-3H3/t12-,13-,15+/m0/s1
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n/an/a 2.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration required against Human Leukocyte Elastase (HLE) for 50% reduction in rate of hydrolysis of (suc-Ala-Ala-Pro-Ala-p-NA) peptid...

Bioorg Med Chem Lett 3: 2283-2288 (1993)


Article DOI: 10.1016/S0960-894X(01)80940-9
BindingDB Entry DOI: 10.7270/Q2S46RW5
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50281032
PNG
((2S,5R,6R)-3,3-Dimethyl-4,4,7-trioxo-6-(2,2,2-trif...)
Show SMILES CC1(C)[C@@H](N2[C@@H]([C@H](NC(=O)C(F)(F)F)C2=O)S1(=O)=O)C(=O)OCC(F)(F)F
Show InChI InChI=1S/C12H12F6N2O6S/c1-10(2)5(8(22)26-3-11(13,14)15)20-6(21)4(7(20)27(10,24)25)19-9(23)12(16,17)18/h4-5,7H,3H2,1-2H3,(H,19,23)/t4-,5+,7-/m1/s1
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n/an/a 3.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration required against Human Leukocyte Elastase (HLE) for 50% reduction in rate of hydrolysis of (suc-Ala-Ala-Pro-Ala-p-NA) peptid...

Bioorg Med Chem Lett 3: 2283-2288 (1993)


Article DOI: 10.1016/S0960-894X(01)80940-9
BindingDB Entry DOI: 10.7270/Q2S46RW5
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50281048
PNG
((2S,5R,6R)-6-Ethyl-3,3-dimethyl-4,4,7-trioxo-6-(2,...)
Show SMILES CC[C@]1(NC(=O)C(F)(F)F)[C@@H]2N([C@@H](C(=O)OCc3ccccc3)C(C)(C)S2(=O)=O)C1=O
Show InChI InChI=1S/C19H21F3N2O6S/c1-4-18(23-14(26)19(20,21)22)15(27)24-12(17(2,3)31(28,29)16(18)24)13(25)30-10-11-8-6-5-7-9-11/h5-9,12,16H,4,10H2,1-3H3,(H,23,26)/t12-,16+,18+/m0/s1
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n/an/a 3.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration required against Human Leukocyte Elastase (HLE) for 50% reduction in rate of hydrolysis of (suc-Ala-Ala-Pro-Ala-p-NA) peptid...

Bioorg Med Chem Lett 3: 2283-2288 (1993)


Article DOI: 10.1016/S0960-894X(01)80940-9
BindingDB Entry DOI: 10.7270/Q2S46RW5
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50281045
PNG
((2S,5R,6S)-3,3-Dimethyl-4,4,7-trioxo-6-phenylaceto...)
Show SMILES CC1(C)[C@@H](N2[C@@H]([C@@H](OC(=O)Cc3ccccc3)C2=O)S1(=O)=O)C(=O)OCc1ccccc1
Show InChI InChI=1S/C23H23NO7S/c1-23(2)19(22(27)30-14-16-11-7-4-8-12-16)24-20(26)18(21(24)32(23,28)29)31-17(25)13-15-9-5-3-6-10-15/h3-12,18-19,21H,13-14H2,1-2H3/t18-,19-,21+/m0/s1
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n/an/a 4.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration required against Human Leukocyte Elastase (HLE) for 50% reduction in rate of hydrolysis of (suc-Ala-Ala-Pro-Ala-p-NA) peptid...

Bioorg Med Chem Lett 3: 2283-2288 (1993)


Article DOI: 10.1016/S0960-894X(01)80940-9
BindingDB Entry DOI: 10.7270/Q2S46RW5
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50281027
PNG
((2S,5R,6S)-6-Benzyloxy-3,3-dimethyl-4,4,7-trioxo-4...)
Show SMILES CC1(C)[C@@H](N2[C@@H]([C@@H](OCc3ccccc3)C2=O)S1(=O)=O)C(=O)OCc1ccccc1
Show InChI InChI=1S/C22H23NO6S/c1-22(2)18(21(25)29-14-16-11-7-4-8-12-16)23-19(24)17(20(23)30(22,26)27)28-13-15-9-5-3-6-10-15/h3-12,17-18,20H,13-14H2,1-2H3/t17-,18-,20+/m0/s1
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n/an/a 4.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration required against Human Leukocyte Elastase (HLE) for 50% reduction in rate of hydrolysis of (suc-Ala-Ala-Pro-Ala-p-NA) peptid...

Bioorg Med Chem Lett 3: 2283-2288 (1993)


Article DOI: 10.1016/S0960-894X(01)80940-9
BindingDB Entry DOI: 10.7270/Q2S46RW5
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50281022
PNG
((2S,5R,6S)-6-Methoxy-3,3-dimethyl-4,4,7-trioxo-4la...)
Show SMILES CO[C@@H]1[C@@H]2N([C@@H](C(=O)OCC(F)(F)F)C(C)(C)S2(=O)=O)C1=O
Show InChI InChI=1S/C11H14F3NO6S/c1-10(2)6(9(17)21-4-11(12,13)14)15-7(16)5(20-3)8(15)22(10,18)19/h5-6,8H,4H2,1-3H3/t5-,6-,8+/m0/s1
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n/an/a 4.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration required against Human Leukocyte Elastase (HLE) for 50% reduction in rate of hydrolysis of (suc-Ala-Ala-Pro-Ala-p-NA) peptid...

Bioorg Med Chem Lett 3: 2283-2288 (1993)


Article DOI: 10.1016/S0960-894X(01)80940-9
BindingDB Entry DOI: 10.7270/Q2S46RW5
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50281023
PNG
((2S,5R,6S)-6-Benzylcarbamoyloxymethyl-3,3-dimethyl...)
Show SMILES CC1(C)[C@@H](N2[C@@H]([C@@H](COC(=O)NCc3ccccc3)C2=O)S1(=O)=O)C(=O)OCc1ccccc1
Show InChI InChI=1S/C24H26N2O7S/c1-24(2)19(22(28)32-14-17-11-7-4-8-12-17)26-20(27)18(21(26)34(24,30)31)15-33-23(29)25-13-16-9-5-3-6-10-16/h3-12,18-19,21H,13-15H2,1-2H3,(H,25,29)/t18-,19-,21+/m0/s1
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n/an/a 4.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration required against Human Leukocyte Elastase (HLE) for 50% reduction in rate of hydrolysis of (suc-Ala-Ala-Pro-Ala-p-NA) peptid...

Bioorg Med Chem Lett 3: 2283-2288 (1993)


Article DOI: 10.1016/S0960-894X(01)80940-9
BindingDB Entry DOI: 10.7270/Q2S46RW5
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50281033
PNG
((2S,5R,6S)-3,3-Dimethyl-7-oxo-6-(2,2,2-trifluoro-a...)
Show SMILES CC1(C)S[C@@H]2[C@@H](NC(=O)C(F)(F)F)C(=O)N2[C@H]1C(=O)OCc1ccccc1
Show InChI InChI=1S/C17H17F3N2O4S/c1-16(2)11(14(24)26-8-9-6-4-3-5-7-9)22-12(23)10(13(22)27-16)21-15(25)17(18,19)20/h3-7,10-11,13H,8H2,1-2H3,(H,21,25)/t10-,11-,13+/m0/s1
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n/an/a 4.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration required against Human Leukocyte Elastase (HLE) for 50% reduction in rate of hydrolysis of (suc-Ala-Ala-Pro-Ala-p-NA) peptid...

Bioorg Med Chem Lett 3: 2283-2288 (1993)


Article DOI: 10.1016/S0960-894X(01)80940-9
BindingDB Entry DOI: 10.7270/Q2S46RW5
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50281047
PNG
((2S,5R,6S)-6-Methoxy-3,3-dimethyl-4,4,7-trioxo-4la...)
Show SMILES CO[C@@H]1[C@@H]2N([C@@H](C(=O)OCc3ccccc3)C(C)(C)S2(=O)=O)C1=O
Show InChI InChI=1S/C16H19NO6S/c1-16(2)12(15(19)23-9-10-7-5-4-6-8-10)17-13(18)11(22-3)14(17)24(16,20)21/h4-8,11-12,14H,9H2,1-3H3/t11-,12-,14+/m0/s1
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n/an/a 5.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration required against Human Leukocyte Elastase (HLE) for 50% reduction in rate of hydrolysis of (suc-Ala-Ala-Pro-Ala-p-NA) peptid...

Bioorg Med Chem Lett 3: 2283-2288 (1993)


Article DOI: 10.1016/S0960-894X(01)80940-9
BindingDB Entry DOI: 10.7270/Q2S46RW5
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50281028
PNG
((2S,5R,6S)-3,3-Dimethyl-4,4,7-trioxo-6-(2-phenoxy-...)
Show SMILES CC1(C)[C@@H](N2[C@@H]([C@@H](OC(=O)COc3ccccc3)C2=O)S1(=O)=O)C(=O)OCc1ccccc1
Show InChI InChI=1S/C23H23NO8S/c1-23(2)19(22(27)31-13-15-9-5-3-6-10-15)24-20(26)18(21(24)33(23,28)29)32-17(25)14-30-16-11-7-4-8-12-16/h3-12,18-19,21H,13-14H2,1-2H3/t18-,19-,21+/m0/s1
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n/an/a 5.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration required against Human Leukocyte Elastase (HLE) for 50% reduction in rate of hydrolysis of (suc-Ala-Ala-Pro-Ala-p-NA) peptid...

Bioorg Med Chem Lett 3: 2283-2288 (1993)


Article DOI: 10.1016/S0960-894X(01)80940-9
BindingDB Entry DOI: 10.7270/Q2S46RW5
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50281039
PNG
((2S,5S,6S)-6-Acetoxy-3,3-dimethyl-4,7-dioxo-4lambd...)
Show SMILES CC(=O)O[C@@H]1[C@H]2N([C@@H](C(=O)OCc3ccccc3)C(C)(C)S2=O)C1=O
Show InChI InChI=1S/C17H19NO6S/c1-10(19)24-12-14(20)18-13(17(2,3)25(22)15(12)18)16(21)23-9-11-7-5-4-6-8-11/h4-8,12-13,15H,9H2,1-3H3/t12-,13-,15-,25?/m0/s1
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n/an/a 5.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration required against Human Leukocyte Elastase (HLE) for 50% reduction in rate of hydrolysis of (suc-Ala-Ala-Pro-Ala-p-NA) peptid...

Bioorg Med Chem Lett 3: 2283-2288 (1993)


Article DOI: 10.1016/S0960-894X(01)80940-9
BindingDB Entry DOI: 10.7270/Q2S46RW5
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50403121
PNG
(CHEMBL2115520)
Show SMILES C[C@H](OC(=O)NCc1ccccc1)[C@@H]1[C@@H]2N([C@@H](C(=O)OCc3ccccc3)C(C)(C)S2(=O)=O)C1=O
Show InChI InChI=1S/C25H28N2O7S/c1-16(34-24(30)26-14-17-10-6-4-7-11-17)19-21(28)27-20(25(2,3)35(31,32)22(19)27)23(29)33-15-18-12-8-5-9-13-18/h4-13,16,19-20,22H,14-15H2,1-3H3,(H,26,30)/t16-,19-,20-,22+/m0/s1
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n/an/a 7.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration required against Human Leukocyte Elastase (HLE) for 50% reduction in rate of hydrolysis of (suc-Ala-Ala-Pro-Ala-p-NA) peptid...

Bioorg Med Chem Lett 3: 2283-2288 (1993)


Article DOI: 10.1016/S0960-894X(01)80940-9
BindingDB Entry DOI: 10.7270/Q2S46RW5
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50281043
PNG
((2S,5R,6S)-6-Methoxy-3,3-dimethyl-4,4,7-trioxo-6-(...)
Show SMILES CO[C@]1(NC(=O)C(F)(F)F)[C@@H]2N([C@@H](C(=O)OCc3ccccc3)C(C)(C)S2(=O)=O)C1=O
Show InChI InChI=1S/C18H19F3N2O7S/c1-16(2)11(12(24)30-9-10-7-5-4-6-8-10)23-14(26)17(29-3,15(23)31(16,27)28)22-13(25)18(19,20)21/h4-8,11,15H,9H2,1-3H3,(H,22,25)/t11-,15+,17-/m0/s1
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n/an/a 9.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration required against Human Leukocyte Elastase (HLE) for 50% reduction in rate of hydrolysis of (suc-Ala-Ala-Pro-Ala-p-NA) peptid...

Bioorg Med Chem Lett 3: 2283-2288 (1993)


Article DOI: 10.1016/S0960-894X(01)80940-9
BindingDB Entry DOI: 10.7270/Q2S46RW5
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50403122
PNG
(CHEMBL2115523)
Show SMILES C[C@@H](OC(=O)NCc1ccccc1)[C@H]1[C@@H]2N([C@@H](C(=O)OCc3ccccc3)C(C)(C)S2(=O)=O)C1=O
Show InChI InChI=1S/C25H28N2O7S/c1-16(34-24(30)26-14-17-10-6-4-7-11-17)19-21(28)27-20(25(2,3)35(31,32)22(19)27)23(29)33-15-18-12-8-5-9-13-18/h4-13,16,19-20,22H,14-15H2,1-3H3,(H,26,30)/t16-,19-,20+,22-/m1/s1
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n/an/a 1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration required against Human Leukocyte Elastase (HLE) for 50% reduction in rate of hydrolysis of (suc-Ala-Ala-Pro-Ala-p-NA) peptid...

Bioorg Med Chem Lett 3: 2283-2288 (1993)


Article DOI: 10.1016/S0960-894X(01)80940-9
BindingDB Entry DOI: 10.7270/Q2S46RW5
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50281042
PNG
((2S,5R,6S)-6-Acetoxy-3,3-dimethyl-7-oxo-4-thia-1-a...)
Show SMILES CC(=O)O[C@@H]1[C@H]2SC(C)(C)[C@@H](N2C1=O)C(=O)OCc1ccccc1
Show InChI InChI=1S/C17H19NO5S/c1-10(19)23-12-14(20)18-13(17(2,3)24-15(12)18)16(21)22-9-11-7-5-4-6-8-11/h4-8,12-13,15H,9H2,1-3H3/t12-,13-,15+/m0/s1
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n/an/a 1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration required against Human Leukocyte Elastase (HLE) for 50% reduction in rate of hydrolysis of (suc-Ala-Ala-Pro-Ala-p-NA) peptid...

Bioorg Med Chem Lett 3: 2283-2288 (1993)


Article DOI: 10.1016/S0960-894X(01)80940-9
BindingDB Entry DOI: 10.7270/Q2S46RW5
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50281038
PNG
((2S,5R,6R)-3,3-Dimethyl-7-oxo-6-(2,2,2-trifluoro-a...)
Show SMILES CC1(C)S[C@@H]2[C@H](NC(=O)C(F)(F)F)C(=O)N2[C@H]1C(=O)OCc1ccccc1
Show InChI InChI=1S/C17H17F3N2O4S/c1-16(2)11(14(24)26-8-9-6-4-3-5-7-9)22-12(23)10(13(22)27-16)21-15(25)17(18,19)20/h3-7,10-11,13H,8H2,1-2H3,(H,21,25)/t10-,11+,13-/m1/s1
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n/an/a 1.20E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration required against Human Leukocyte Elastase (HLE) for 50% reduction in rate of hydrolysis of (suc-Ala-Ala-Pro-Ala-p-NA) peptid...

Bioorg Med Chem Lett 3: 2283-2288 (1993)


Article DOI: 10.1016/S0960-894X(01)80940-9
BindingDB Entry DOI: 10.7270/Q2S46RW5
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50281031
PNG
((2S,5R,6S)-6-Chloro-3,3-dimethyl-4,4,7-trioxo-4lam...)
Show SMILES CC1(C)[C@@H](N2[C@@H]([C@@H](Cl)C2=O)S1(=O)=O)C(=O)OCc1ccccc1
Show InChI InChI=1S/C15H16ClNO5S/c1-15(2)11(14(19)22-8-9-6-4-3-5-7-9)17-12(18)10(16)13(17)23(15,20)21/h3-7,10-11,13H,8H2,1-2H3/t10-,11-,13+/m0/s1
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n/an/a 1.40E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration required against Human Leukocyte Elastase (HLE) for 50% reduction in rate of hydrolysis of (suc-Ala-Ala-Pro-Ala-p-NA) peptid...

Bioorg Med Chem Lett 3: 2283-2288 (1993)


Article DOI: 10.1016/S0960-894X(01)80940-9
BindingDB Entry DOI: 10.7270/Q2S46RW5
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50281050
PNG
((2S,5R,6R)-3,3,6-Trimethyl-4,4,7-trioxo-6-(2,2,2-t...)
Show SMILES C[C@]1(NC(=O)C(F)(F)F)[C@@H]2N([C@@H](C(=O)OCc3ccccc3)C(C)(C)S2(=O)=O)C1=O
Show InChI InChI=1S/C18H19F3N2O6S/c1-16(2)11(12(24)29-9-10-7-5-4-6-8-10)23-14(26)17(3,15(23)30(16,27)28)22-13(25)18(19,20)21/h4-8,11,15H,9H2,1-3H3,(H,22,25)/t11-,15+,17+/m0/s1
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n/an/a>2.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration required against Human Leukocyte Elastase (HLE) for 50% reduction in rate of hydrolysis of (suc-Ala-Ala-Pro-Ala-p-NA) peptid...

Bioorg Med Chem Lett 3: 2283-2288 (1993)


Article DOI: 10.1016/S0960-894X(01)80940-9
BindingDB Entry DOI: 10.7270/Q2S46RW5
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50281046
PNG
((2S,5R,6S)-6-Methoxy-3,3-dimethyl-4,4,7-trioxo-4la...)
Show SMILES CO[C@@H]1[C@@H]2N([C@@H](C(=O)OC)C(C)(C)S2(=O)=O)C1=O
Show InChI InChI=1S/C10H15NO6S/c1-10(2)6(9(13)17-4)11-7(12)5(16-3)8(11)18(10,14)15/h5-6,8H,1-4H3/t5-,6-,8+/m0/s1
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n/an/a 2.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration required against Human Leukocyte Elastase (HLE) for 50% reduction in rate of hydrolysis of (suc-Ala-Ala-Pro-Ala-p-NA) peptid...

Bioorg Med Chem Lett 3: 2283-2288 (1993)


Article DOI: 10.1016/S0960-894X(01)80940-9
BindingDB Entry DOI: 10.7270/Q2S46RW5
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50281026
PNG
((2S,5R,6S)-6-(1-Hydroxy-ethyl)-3,3-dimethyl-4,4,7-...)
Show SMILES CC(O)[C@@H]1[C@@H]2N([C@@H](C(=O)OCc3ccccc3)C(C)(C)S2(=O)=O)C1=O
Show InChI InChI=1S/C17H21NO6S/c1-10(19)12-14(20)18-13(17(2,3)25(22,23)15(12)18)16(21)24-9-11-7-5-4-6-8-11/h4-8,10,12-13,15,19H,9H2,1-3H3/t10?,12-,13-,15+/m0/s1
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n/an/a 2.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration required against Human Leukocyte Elastase (HLE) for 50% reduction in rate of hydrolysis of (suc-Ala-Ala-Pro-Ala-p-NA) peptid...

Bioorg Med Chem Lett 3: 2283-2288 (1993)


Article DOI: 10.1016/S0960-894X(01)80940-9
BindingDB Entry DOI: 10.7270/Q2S46RW5
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50281034
PNG
((2S,5R,6S)-6-Methoxy-3,3-dimethyl-4,4,7-trioxo-4la...)
Show SMILES CO[C@@H]1[C@@H]2N([C@@H](C(=O)OC(C)(C)C)C(C)(C)S2(=O)=O)C1=O
Show InChI InChI=1S/C13H21NO6S/c1-12(2,3)20-11(16)8-13(4,5)21(17,18)10-7(19-6)9(15)14(8)10/h7-8,10H,1-6H3/t7-,8-,10+/m0/s1
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n/an/a>2.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration required against Human Leukocyte Elastase (HLE) for 50% reduction in rate of hydrolysis of (suc-Ala-Ala-Pro-Ala-p-NA) peptid...

Bioorg Med Chem Lett 3: 2283-2288 (1993)


Article DOI: 10.1016/S0960-894X(01)80940-9
BindingDB Entry DOI: 10.7270/Q2S46RW5
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%