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Compile Data Set for Download or QSAR

Found 73 hits with Last Name = 'alpegiani' and Initial = 'm'   
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
Leukocyte elastase


(Homo sapiens (Human))
BDBM50280672
PNG
((6R,7S)-2-Benzoyl-7-methoxy-3-(1-methyl-1H-tetrazo...)
Show SMILES CO[C@@H]1[C@@H]2N(C1=O)C(C(=O)c1ccccc1)=C(CSc1nnnn1C)CS2(=O)=O
Show InChI InChI=1S/C17H17N5O5S2/c1-21-17(18-19-20-21)28-8-11-9-29(25,26)16-14(27-2)15(24)22(16)12(11)13(23)10-6-4-3-5-7-10/h3-7,14,16H,8-9H2,1-2H3/t14-,16+/m0/s1
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n/an/an/an/an/an/a 1.80E+4n/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human leukocyte elastase II (HLE-II) as second order rate constant


Bioorg Med Chem Lett 2: 1127-1132 (1992)


Article DOI: 10.1016/S0960-894X(00)80632-0
BindingDB Entry DOI: 10.7270/Q2HT2P7Q
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50280673
PNG
((6R,7S)-2-(2,2-Dimethyl-propionyl)-7-methoxy-4-(1-...)
Show SMILES CO[C@@H]1[C@@H]2N(C1=O)C(C(=O)C(C)(C)C)=C(CSc1nnnn1C)C(Sc1nnnn1C)S2(=O)=O
Show InChI InChI=1S/C17H23N9O5S3/c1-17(2,3)11(27)9-8(7-32-15-18-20-22-24(15)4)14(33-16-19-21-23-25(16)5)34(29,30)13-10(31-6)12(28)26(9)13/h10,13-14H,7H2,1-6H3/t10-,13+,14?/m0/s1
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n/an/an/an/an/an/a 2.60E+4n/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human leukocyte elastase II (HLE-II) as second order rate constant


Bioorg Med Chem Lett 2: 1127-1132 (1992)


Article DOI: 10.1016/S0960-894X(00)80632-0
BindingDB Entry DOI: 10.7270/Q2HT2P7Q
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50280674
PNG
((6R,7S)-2-Benzoyl-7-methoxy-4-(1-methyl-1H-tetrazo...)
Show SMILES CO[C@@H]1[C@@H]2N(C1=O)C(C(=O)c1ccccc1)=C(CSc1nnnn1C)C(Sc1nnnn1C)S2(=O)=O
Show InChI InChI=1S/C19H19N9O5S3/c1-26-18(20-22-24-26)34-9-11-12(13(29)10-7-5-4-6-8-10)28-15(30)14(33-3)16(28)36(31,32)17(11)35-19-21-23-25-27(19)2/h4-8,14,16-17H,9H2,1-3H3/t14-,16+,17?/m0/s1
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n/an/an/an/an/an/a 2.20E+3n/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human leukocyte elastase II (HLE-II) as second order rate constant


Bioorg Med Chem Lett 2: 1127-1132 (1992)


Article DOI: 10.1016/S0960-894X(00)80632-0
BindingDB Entry DOI: 10.7270/Q2HT2P7Q
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50280675
PNG
((6R,7S)-2-Benzoyl-7-methoxy-3-methyl-5,5-dioxo-5la...)
Show SMILES CO[C@@H]1[C@@H]2N(C1=O)C(C(=O)c1ccccc1)=C(C)CS2(=O)=O
Show InChI InChI=1S/C15H15NO5S/c1-9-8-22(19,20)15-13(21-2)14(18)16(15)11(9)12(17)10-6-4-3-5-7-10/h3-7,13,15H,8H2,1-2H3/t13-,15+/m0/s1
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n/an/an/an/an/an/a 130n/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human leukocyte elastase II (HLE-II) as second order rate constant


Bioorg Med Chem Lett 2: 1127-1132 (1992)


Article DOI: 10.1016/S0960-894X(00)80632-0
BindingDB Entry DOI: 10.7270/Q2HT2P7Q
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50280676
PNG
((6R,7S)-2-(2,2-Dimethyl-propionyl)-7-methoxy-3-(1-...)
Show SMILES CO[C@@H]1[C@@H]2N(C1=O)C(C(=O)C(C)(C)C)=C(CSc1nnnn1C)CS2(=O)=O
Show InChI InChI=1S/C15H21N5O5S2/c1-15(2,3)11(21)9-8(6-26-14-16-17-18-19(14)4)7-27(23,24)13-10(25-5)12(22)20(9)13/h10,13H,6-7H2,1-5H3/t10-,13+/m0/s1
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n/an/an/an/an/an/a 1.90E+4n/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human leukocyte elastase II (HLE-II) as second order rate constant


Bioorg Med Chem Lett 2: 1127-1132 (1992)


Article DOI: 10.1016/S0960-894X(00)80632-0
BindingDB Entry DOI: 10.7270/Q2HT2P7Q
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50280677
PNG
((6R,7S)-2-(2,2-Dimethyl-propionyl)-4-(6-hydroxy-2-...)
Show SMILES CO[C@@H]1[C@@H]2N(C1=O)C(C(=O)C(C)(C)C)=C(C)C(Sc1nc(=O)c(=O)[nH]n1C)S2(=O)=O
Show InChI InChI=1S/C17H22N4O7S2/c1-7-8(10(22)17(2,3)4)21-13(25)9(28-6)14(21)30(26,27)15(7)29-16-18-11(23)12(24)19-20(16)5/h9,14-15H,1-6H3,(H,19,24)/t9-,14+,15?/m0/s1
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n/an/an/an/an/an/a 5.40E+4n/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human leukocyte elastase II (HLE-II) as second order rate constant


Bioorg Med Chem Lett 2: 1127-1132 (1992)


Article DOI: 10.1016/S0960-894X(00)80632-0
BindingDB Entry DOI: 10.7270/Q2HT2P7Q
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50280678
PNG
((6R,7S)-2-Benzoyl-7-methoxy-3-methyl-4-(1-methyl-1...)
Show SMILES CO[C@@H]1[C@@H]2N(C1=O)C(C(=O)c1ccccc1)=C(C)C(Sc1nnnn1C)S2(=O)=O
Show InChI InChI=1S/C17H17N5O5S2/c1-9-11(12(23)10-7-5-4-6-8-10)22-14(24)13(27-3)15(22)29(25,26)16(9)28-17-18-19-20-21(17)2/h4-8,13,15-16H,1-3H3/t13-,15+,16?/m0/s1
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n/an/an/an/an/an/a 200n/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human leukocyte elastase II (HLE-II) as second order rate constant


Bioorg Med Chem Lett 2: 1127-1132 (1992)


Article DOI: 10.1016/S0960-894X(00)80632-0
BindingDB Entry DOI: 10.7270/Q2HT2P7Q
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50280679
PNG
((6R,7S)-2-(2,2-Dimethyl-propionyl)-7-methoxy-3-(5-...)
Show SMILES CO[C@@H]1[C@@H]2N(C1=O)C(C(=O)C(C)(C)C)=C(CSc1nnc(C)s1)CS2(=O)=O
Show InChI InChI=1S/C16H21N3O5S3/c1-8-17-18-15(26-8)25-6-9-7-27(22,23)14-11(24-5)13(21)19(14)10(9)12(20)16(2,3)4/h11,14H,6-7H2,1-5H3/t11-,14+/m0/s1
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n/an/an/an/an/an/a 3.20E+4n/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human leukocyte elastase II (HLE-II) as second order rate constant


Bioorg Med Chem Lett 2: 1127-1132 (1992)


Article DOI: 10.1016/S0960-894X(00)80632-0
BindingDB Entry DOI: 10.7270/Q2HT2P7Q
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50280680
PNG
((6R,7S)-2-(2,2-Dimethyl-propionyl)-7-methoxy-3-met...)
Show SMILES CO[C@@H]1[C@@H]2N(C1=O)C(C(=O)C(C)(C)C)=C(C)C(Sc1nnc(C)s1)S2(=O)=O
Show InChI InChI=1S/C16H21N3O5S3/c1-7-9(11(20)16(3,4)5)19-12(21)10(24-6)13(19)27(22,23)14(7)26-15-18-17-8(2)25-15/h10,13-14H,1-6H3/t10-,13+,14?/m0/s1
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n/an/an/an/an/an/a 4.20E+4n/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human leukocyte elastase II (HLE-II) as second order rate constant


Bioorg Med Chem Lett 2: 1127-1132 (1992)


Article DOI: 10.1016/S0960-894X(00)80632-0
BindingDB Entry DOI: 10.7270/Q2HT2P7Q
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50280681
PNG
((6R,7S)-2-(2,2-Dimethyl-propionyl)-7-methoxy-3-met...)
Show SMILES CO[C@@H]1[C@@H]2N(C1=O)C(C(=O)C(C)(C)C)=C(C)C(Sc1nnnn1C)S2(=O)=O
Show InChI InChI=1S/C15H21N5O5S2/c1-7-8(10(21)15(2,3)4)20-11(22)9(25-6)12(20)27(23,24)13(7)26-14-16-17-18-19(14)5/h9,12-13H,1-6H3/t9-,12+,13?/m0/s1
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n/an/an/an/an/an/a 1.00E+5n/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human leukocyte elastase II (HLE-II) as second order rate constant


Bioorg Med Chem Lett 2: 1127-1132 (1992)


Article DOI: 10.1016/S0960-894X(00)80632-0
BindingDB Entry DOI: 10.7270/Q2HT2P7Q
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50280682
PNG
((6R,7S)-2-(2,2-Dimethyl-propionyl)-7-methoxy-3-met...)
Show SMILES CO[C@@H]1[C@@H]2N(C1=O)C(C(=O)C(C)(C)C)=C(C)CS2(=O)=O
Show InChI InChI=1S/C13H19NO5S/c1-7-6-20(17,18)12-9(19-5)11(16)14(12)8(7)10(15)13(2,3)4/h9,12H,6H2,1-5H3/t9-,12+/m0/s1
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n/an/an/an/an/an/a 90n/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human leukocyte elastase II (HLE-II) as second order rate constant


Bioorg Med Chem Lett 2: 1127-1132 (1992)


Article DOI: 10.1016/S0960-894X(00)80632-0
BindingDB Entry DOI: 10.7270/Q2HT2P7Q
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50280683
PNG
((6R,7S)-2-Benzoyl-4-(6-hydroxy-2-methyl-5-oxo-2,5-...)
Show SMILES CO[C@@H]1[C@@H]2N(C1=O)C(C(=O)c1ccccc1)=C(C)C(Sc1nc(=O)c(=O)[nH]n1C)S2(=O)=O
Show InChI InChI=1S/C19H18N4O7S2/c1-9-11(12(24)10-7-5-4-6-8-10)23-16(27)13(30-3)17(23)32(28,29)18(9)31-19-20-14(25)15(26)21-22(19)2/h4-8,13,17-18H,1-3H3,(H,21,26)/t13-,17+,18?/m0/s1
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n/an/an/an/an/an/a 930n/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human leukocyte elastase II (HLE-II) as second order rate constant


Bioorg Med Chem Lett 2: 1127-1132 (1992)


Article DOI: 10.1016/S0960-894X(00)80632-0
BindingDB Entry DOI: 10.7270/Q2HT2P7Q
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50280684
PNG
((6R,7S)-2-(2,2-Dimethyl-propionyl)-7-methoxy-4-(5-...)
Show SMILES CO[C@@H]1[C@@H]2N(C1=O)C(C(=O)C(C)(C)C)=C(CSc1nnc(C)s1)C(Sc1nnc(C)s1)S2(=O)=O
Show InChI InChI=1S/C19H23N5O5S5/c1-8-20-22-17(31-8)30-7-10-11(13(25)19(3,4)5)24-14(26)12(29-6)15(24)34(27,28)16(10)33-18-23-21-9(2)32-18/h12,15-16H,7H2,1-6H3/t12-,15+,16?/m0/s1
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n/an/an/an/an/an/a 2.10E+4n/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human leukocyte elastase II (HLE-II) as second order rate constant


Bioorg Med Chem Lett 2: 1127-1132 (1992)


Article DOI: 10.1016/S0960-894X(00)80632-0
BindingDB Entry DOI: 10.7270/Q2HT2P7Q
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50286673
PNG
((2S,2aR)-2-Methoxy-3,3-dioxo-7-phenyl-2,2a,3,4-tet...)
Show SMILES CO[C@@H]1[C@@H]2N(C1=O)c1c(CS2(=O)=O)coc1-c1ccccc1
Show InChI InChI=1S/C15H13NO5S/c1-20-13-14(17)16-11-10(8-22(18,19)15(13)16)7-21-12(11)9-5-3-2-4-6-9/h2-7,13,15H,8H2,1H3/t13-,15+/m0/s1
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n/an/an/an/an/an/a 2.00E+3n/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human leukocyte elastase (HLE) expressed as second order inhibition rate constant


Bioorg Med Chem Lett 5: 687-690 (1995)


Article DOI: 10.1016/0960-894X(95)00094-A
BindingDB Entry DOI: 10.7270/Q2TT4QXN
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50280675
PNG
((6R,7S)-2-Benzoyl-7-methoxy-3-methyl-5,5-dioxo-5la...)
Show SMILES CO[C@@H]1[C@@H]2N(C1=O)C(C(=O)c1ccccc1)=C(C)CS2(=O)=O
Show InChI InChI=1S/C15H15NO5S/c1-9-8-22(19,20)15-13(21-2)14(18)16(15)11(9)12(17)10-6-4-3-5-7-10/h3-7,13,15H,8H2,1-2H3/t13-,15+/m0/s1
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n/an/an/an/an/an/a 130n/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human leukocyte elastase (HLE) expressed as second order inhibition rate constant


Bioorg Med Chem Lett 5: 687-690 (1995)


Article DOI: 10.1016/0960-894X(95)00094-A
BindingDB Entry DOI: 10.7270/Q2TT4QXN
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50286674
PNG
(((2S,2aR,4R)-7-tert-Butyl-2-methoxy-1,3,3-trioxo-2...)
Show SMILES CO[C@@H]1[C@@H]2N(C1=O)c1c(coc1C(C)(C)C)[C@@H](CC(=O)OC(C)(C)C)S2(=O)=O
Show InChI InChI=1S/C19H27NO7S/c1-18(2,3)15-13-10(9-26-15)11(8-12(21)27-19(4,5)6)28(23,24)17-14(25-7)16(22)20(13)17/h9,11,14,17H,8H2,1-7H3/t11-,14+,17-/m1/s1
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n/an/an/an/an/an/a 1.10E+3n/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human leukocyte elastase (HLE) expressed as second order inhibition rate constant


Bioorg Med Chem Lett 5: 687-690 (1995)


Article DOI: 10.1016/0960-894X(95)00094-A
BindingDB Entry DOI: 10.7270/Q2TT4QXN
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50286675
PNG
((2S,2aR,4R)-7-tert-Butyl-2-methoxy-4-methyl-3,3-di...)
Show SMILES CO[C@@H]1[C@@H]2N(C1=O)c1c(coc1C(C)(C)C)[C@@H](C)S2(=O)=O
Show InChI InChI=1S/C14H19NO5S/c1-7-8-6-20-11(14(2,3)4)9(8)15-12(16)10(19-5)13(15)21(7,17)18/h6-7,10,13H,1-5H3/t7-,10+,13-/m1/s1
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n/an/an/an/an/an/a 1.00E+3n/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human leukocyte elastase (HLE) expressed as second order inhibition rate constant


Bioorg Med Chem Lett 5: 687-690 (1995)


Article DOI: 10.1016/0960-894X(95)00094-A
BindingDB Entry DOI: 10.7270/Q2TT4QXN
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50286676
PNG
((2S,2aR)-7-tert-Butyl-2-methoxy-3,3-dioxo-2,2a,3,4...)
Show SMILES CO[C@@H]1[C@@H]2N(C1=O)c1c(CS2(=O)=O)coc1C(C)(C)C
Show InChI InChI=1S/C13H17NO5S/c1-13(2,3)10-8-7(5-19-10)6-20(16,17)12-9(18-4)11(15)14(8)12/h5,9,12H,6H2,1-4H3/t9-,12+/m0/s1
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n/an/an/an/an/an/a 500n/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human leukocyte elastase (HLE) expressed as second order inhibition rate constant


Bioorg Med Chem Lett 5: 687-690 (1995)


Article DOI: 10.1016/0960-894X(95)00094-A
BindingDB Entry DOI: 10.7270/Q2TT4QXN
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50286677
PNG
(7-tert-Butyl-2-methoxy-4-(2,2-diphenyl-cyclopropyl...)
Show SMILES CO[C@@H]1[C@@H]2N(C1=O)c1c(coc1C(C)(C)C)[C@]1(CC1(c1ccccc1)c1ccccc1)S2(=O)=O
Show InChI InChI=1S/C27H27NO5S/c1-25(2,3)22-20-19(15-33-22)27(34(30,31)24-21(32-4)23(29)28(20)24)16-26(27,17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-15,21,24H,16H2,1-4H3/t21-,24+,27-/m0/s1
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n/an/an/an/an/an/a 8.80E+3n/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human leukocyte elastase (HLE) expressed as second order inhibition rate constant


Bioorg Med Chem Lett 5: 687-690 (1995)


Article DOI: 10.1016/0960-894X(95)00094-A
BindingDB Entry DOI: 10.7270/Q2TT4QXN
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50280682
PNG
((6R,7S)-2-(2,2-Dimethyl-propionyl)-7-methoxy-3-met...)
Show SMILES CO[C@@H]1[C@@H]2N(C1=O)C(C(=O)C(C)(C)C)=C(C)CS2(=O)=O
Show InChI InChI=1S/C13H19NO5S/c1-7-6-20(17,18)12-9(19-5)11(16)14(12)8(7)10(15)13(2,3)4/h9,12H,6H2,1-5H3/t9-,12+/m0/s1
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n/an/an/an/an/an/a 90n/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human leukocyte elastase (HLE) expressed as second order inhibition rate constant


Bioorg Med Chem Lett 5: 687-690 (1995)


Article DOI: 10.1016/0960-894X(95)00094-A
BindingDB Entry DOI: 10.7270/Q2TT4QXN
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50286678
PNG
((2S,2aR)-7-tert-Butyl-2-methoxy-3,3-dioxo-2,2a,3,4...)
Show SMILES CO[C@@H]1[C@@H]2N(C1=O)c1c(CS2(=O)=O)csc1C(C)(C)C
Show InChI InChI=1S/C13H17NO4S2/c1-13(2,3)10-8-7(5-19-10)6-20(16,17)12-9(18-4)11(15)14(8)12/h5,9,12H,6H2,1-4H3/t9-,12+/m0/s1
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n/an/an/an/an/an/a 80n/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human leukocyte elastase (HLE) expressed as second order inhibition rate constant


Bioorg Med Chem Lett 5: 691-694 (1995)


Article DOI: 10.1016/0960-894X(95)00095-B
BindingDB Entry DOI: 10.7270/Q2Q2407G
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50286679
PNG
((2S,2aR)-2-Methoxy-3,3-dioxo-7-phenyl-2a,3,4,6-tet...)
Show SMILES CO[C@@H]1[C@@H]2N(C1=O)c1c(CS2(=O)=O)c[nH]c1-c1ccccc1
Show InChI InChI=1S/C15H14N2O4S/c1-21-13-14(18)17-12-10(8-22(19,20)15(13)17)7-16-11(12)9-5-3-2-4-6-9/h2-7,13,15-16H,8H2,1H3/t13-,15+/m0/s1
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n/an/an/an/an/an/a 2.50E+3n/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human leukocyte elastase (HLE) expressed as second order inhibition rate constant


Bioorg Med Chem Lett 5: 691-694 (1995)


Article DOI: 10.1016/0960-894X(95)00095-B
BindingDB Entry DOI: 10.7270/Q2Q2407G
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50286680
PNG
((2S,2aR)-6-(2,2-Dimethyl-propionyl)-2-methoxy-3,3-...)
Show SMILES CO[C@@H]1[C@@H]2N(C1=O)c1c(CS2(=O)=O)cn(C(=O)C(C)(C)C)c1-c1ccccc1
Show InChI InChI=1S/C20H22N2O5S/c1-20(2,3)19(24)21-10-13-11-28(25,26)18-16(27-4)17(23)22(18)15(13)14(21)12-8-6-5-7-9-12/h5-10,16,18H,11H2,1-4H3/t16-,18+/m0/s1
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n/an/an/an/an/an/a 2.10E+3n/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human leukocyte elastase (HLE) expressed as second order inhibition rate constant


Bioorg Med Chem Lett 5: 691-694 (1995)


Article DOI: 10.1016/0960-894X(95)00095-B
BindingDB Entry DOI: 10.7270/Q2Q2407G
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50286681
PNG
((2S,2aR)-7-tert-Butyl-2-methoxy-3,3-dioxo-2a,3,4,6...)
Show SMILES CO[C@@H]1[C@@H]2N(C1=O)c1c(CS2(=O)=O)c[nH]c1C(C)(C)C
Show InChI InChI=1S/C13H18N2O4S/c1-13(2,3)10-8-7(5-14-10)6-20(17,18)12-9(19-4)11(16)15(8)12/h5,9,12,14H,6H2,1-4H3/t9-,12+/m0/s1
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n/an/an/an/an/an/a 1.30E+3n/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human leukocyte elastase (HLE) expressed as second order inhibition rate constant


Bioorg Med Chem Lett 5: 691-694 (1995)


Article DOI: 10.1016/0960-894X(95)00095-B
BindingDB Entry DOI: 10.7270/Q2Q2407G
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50280675
PNG
((6R,7S)-2-Benzoyl-7-methoxy-3-methyl-5,5-dioxo-5la...)
Show SMILES CO[C@@H]1[C@@H]2N(C1=O)C(C(=O)c1ccccc1)=C(C)CS2(=O)=O
Show InChI InChI=1S/C15H15NO5S/c1-9-8-22(19,20)15-13(21-2)14(18)16(15)11(9)12(17)10-6-4-3-5-7-10/h3-7,13,15H,8H2,1-2H3/t13-,15+/m0/s1
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n/an/an/an/an/an/a 130n/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human leukocyte elastase (HLE) expressed as second order inhibition rate constant


Bioorg Med Chem Lett 5: 691-694 (1995)


Article DOI: 10.1016/0960-894X(95)00095-B
BindingDB Entry DOI: 10.7270/Q2Q2407G
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50286682
PNG
((2S,2aR)-2-Methoxy-3,3-dioxo-7-phenyl-2,2a,3,4-tet...)
Show SMILES CO[C@@H]1[C@@H]2N(C1=O)c1c(CS2(=O)=O)csc1-c1ccccc1
Show InChI InChI=1S/C15H13NO4S2/c1-20-12-14(17)16-11-10(8-22(18,19)15(12)16)7-21-13(11)9-5-3-2-4-6-9/h2-7,12,15H,8H2,1H3/t12-,15+/m0/s1
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n/an/an/an/an/an/a 270n/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human leukocyte elastase (HLE) expressed as second order inhibition rate constant


Bioorg Med Chem Lett 5: 691-694 (1995)


Article DOI: 10.1016/0960-894X(95)00095-B
BindingDB Entry DOI: 10.7270/Q2Q2407G
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50280682
PNG
((6R,7S)-2-(2,2-Dimethyl-propionyl)-7-methoxy-3-met...)
Show SMILES CO[C@@H]1[C@@H]2N(C1=O)C(C(=O)C(C)(C)C)=C(C)CS2(=O)=O
Show InChI InChI=1S/C13H19NO5S/c1-7-6-20(17,18)12-9(19-5)11(16)14(12)8(7)10(15)13(2,3)4/h9,12H,6H2,1-5H3/t9-,12+/m0/s1
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n/an/an/an/an/an/a 90n/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human leukocyte elastase (HLE) expressed as second order inhibition rate constant


Bioorg Med Chem Lett 5: 691-694 (1995)


Article DOI: 10.1016/0960-894X(95)00095-B
BindingDB Entry DOI: 10.7270/Q2Q2407G
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50286683
PNG
((2S,2aR)-2-Methoxy-6-(4-nitro-phenyl)-3,3-dioxo-7-...)
Show SMILES CO[C@@H]1[C@@H]2N(C1=O)c1c(CS2(=O)=O)cn(c1-c1ccccc1)-c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C21H17N3O6S/c1-30-19-20(25)23-18-14(12-31(28,29)21(19)23)11-22(17(18)13-5-3-2-4-6-13)15-7-9-16(10-8-15)24(26)27/h2-11,19,21H,12H2,1H3/t19-,21+/m0/s1
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n/an/an/an/an/an/a 1.10E+4n/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human leukocyte elastase (HLE) expressed as second order inhibition rate constant


Bioorg Med Chem Lett 5: 691-694 (1995)


Article DOI: 10.1016/0960-894X(95)00095-B
BindingDB Entry DOI: 10.7270/Q2Q2407G
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50280675
PNG
((6R,7S)-2-Benzoyl-7-methoxy-3-methyl-5,5-dioxo-5la...)
Show SMILES CO[C@@H]1[C@@H]2N(C1=O)C(C(=O)c1ccccc1)=C(C)CS2(=O)=O
Show InChI InChI=1S/C15H15NO5S/c1-9-8-22(19,20)15-13(21-2)14(18)16(15)11(9)12(17)10-6-4-3-5-7-10/h3-7,13,15H,8H2,1-2H3/t13-,15+/m0/s1
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n/an/an/an/an/an/a 130n/an/a



Pharmacia Farmitalia Carlo Erba

Curated by ChEMBL


Assay Description
Tested for the rate constant against Human Leukocyte Elastase (HLE) inactivation


J Med Chem 37: 4003-19 (1994)


Article DOI: 10.1021/jm00049a020
BindingDB Entry DOI: 10.7270/Q2T43S5B
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50291913
PNG
((4S,7S)-7-Methoxy-3-methyl-5,5,8-trioxo-4-(pyridin...)
Show SMILES CO[C@@H]1C2N(C1=O)C(C(=O)OC(C)(C)C)=C(C)[C@@H](Sc1ccccn1)S2(=O)=O
Show InChI InChI=1S/C18H22N2O6S2/c1-10-12(16(22)26-18(2,3)4)20-14(21)13(25-5)15(20)28(23,24)17(10)27-11-8-6-7-9-19-11/h6-9,13,15,17H,1-5H3/t13-,15?,17-/m0/s1
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n/an/an/an/an/an/a 4.70E+3n/an/a



Pharmacia Farmitalia Carlo Erba

Curated by ChEMBL


Assay Description
Tested for the rate constant against Human Leukocyte Elastase (HLE) inactivation


J Med Chem 37: 4003-19 (1994)


Article DOI: 10.1021/jm00049a020
BindingDB Entry DOI: 10.7270/Q2T43S5B
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50291914
PNG
((S)-7-Chloro-2-(2,2-dimethyl-propionyl)-3-methyl-5...)
Show SMILES CC1=C(N2C([C@@H](Cl)C2=O)S(=O)(=O)C1)C(=O)C(C)(C)C
Show InChI InChI=1S/C12H16ClNO4S/c1-6-5-19(17,18)11-7(13)10(16)14(11)8(6)9(15)12(2,3)4/h7,11H,5H2,1-4H3/t7-,11?/m0/s1
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n/an/an/an/an/an/a 2.10n/an/a



Pharmacia Farmitalia Carlo Erba

Curated by ChEMBL


Assay Description
Tested for the rate constant against Human Leukocyte Elastase (HLE) inactivation


J Med Chem 37: 4003-19 (1994)


Article DOI: 10.1021/jm00049a020
BindingDB Entry DOI: 10.7270/Q2T43S5B
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50291915
PNG
(CHEMBL337918 | Formic acid (4S,7S)-2-(2,2-dimethyl...)
Show SMILES CO[C@@H]1C2N(C1=O)C(C(=O)C(C)(C)C)=C(C)[C@@H](OC=O)S2(=O)=O
Show InChI InChI=1S/C14H19NO7S/c1-7-8(10(17)14(2,3)4)15-11(18)9(21-5)12(15)23(19,20)13(7)22-6-16/h6,9,12-13H,1-5H3/t9-,12?,13-/m0/s1
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n/an/an/an/an/an/a 1.40E+3n/an/a



Pharmacia Farmitalia Carlo Erba

Curated by ChEMBL


Assay Description
Tested for the rate constant against Human Leukocyte Elastase (HLE) inactivation


J Med Chem 37: 4003-19 (1994)


Article DOI: 10.1021/jm00049a020
BindingDB Entry DOI: 10.7270/Q2T43S5B
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50291916
PNG
((S)-7-Chloro-2-(2,2-dimethyl-propionyl)-3-(1-methy...)
Show SMILES Cn1nnnc1SCC1=C(N2C([C@@H](Cl)C2=O)S(=O)(=O)C1)C(=O)C(C)(C)C
Show InChI InChI=1S/C14H18ClN5O4S2/c1-14(2,3)10(21)9-7(5-25-13-16-17-18-19(13)4)6-26(23,24)12-8(15)11(22)20(9)12/h8,12H,5-6H2,1-4H3/t8-,12?/m0/s1
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n/an/an/an/an/an/a 1.20n/an/a



Pharmacia Farmitalia Carlo Erba

Curated by ChEMBL


Assay Description
Tested for the rate constant against Human Leukocyte Elastase (HLE) inactivation


J Med Chem 37: 4003-19 (1994)


Article DOI: 10.1021/jm00049a020
BindingDB Entry DOI: 10.7270/Q2T43S5B
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50280676
PNG
((6R,7S)-2-(2,2-Dimethyl-propionyl)-7-methoxy-3-(1-...)
Show SMILES CO[C@@H]1[C@@H]2N(C1=O)C(C(=O)C(C)(C)C)=C(CSc1nnnn1C)CS2(=O)=O
Show InChI InChI=1S/C15H21N5O5S2/c1-15(2,3)11(21)9-8(6-26-14-16-17-18-19(14)4)7-27(23,24)13-10(25-5)12(22)20(9)13/h10,13H,6-7H2,1-5H3/t10-,13+/m0/s1
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n/an/an/an/an/an/a 1.90n/an/a



Pharmacia Farmitalia Carlo Erba

Curated by ChEMBL


Assay Description
Tested for the rate constant against Human Leukocyte Elastase (HLE) inactivation


J Med Chem 37: 4003-19 (1994)


Article DOI: 10.1021/jm00049a020
BindingDB Entry DOI: 10.7270/Q2T43S5B
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50291917
PNG
((4S,7S)-2-(2,2-Dimethyl-propionyl)-7-methoxy-3-met...)
Show SMILES CO[C@@H]1C2N(C1=O)C(C(=O)C(C)(C)C)=C(C)[C@@H](Sc1ccccn1)S2(=O)=O
Show InChI InChI=1S/C18H22N2O5S2/c1-10-12(14(21)18(2,3)4)20-15(22)13(25-5)16(20)27(23,24)17(10)26-11-8-6-7-9-19-11/h6-9,13,16-17H,1-5H3/t13-,16?,17-/m0/s1
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n/an/an/an/an/an/a 8.20E+4n/an/a



Pharmacia Farmitalia Carlo Erba

Curated by ChEMBL


Assay Description
Tested for the rate constant against Human Leukocyte Elastase (HLE) inactivation


J Med Chem 37: 4003-19 (1994)


Article DOI: 10.1021/jm00049a020
BindingDB Entry DOI: 10.7270/Q2T43S5B
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50291918
PNG
(2alpha-(benzoyloxy)3-[(benzoyloxy)methyl]-4-(tert-...)
Show SMILES CO[C@@H]1C2N(C1=O)C(C(=O)C(C)(C)C)=C(COC(=O)c1ccccc1)[C@@H](OC(=O)c1ccccc1)S2(=O)=O
Show InChI InChI=1S/C27H27NO9S/c1-27(2,3)21(29)19-18(15-36-24(31)16-11-7-5-8-12-16)26(37-25(32)17-13-9-6-10-14-17)38(33,34)23-20(35-4)22(30)28(19)23/h5-14,20,23,26H,15H2,1-4H3/t20-,23?,26-/m0/s1
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n/an/an/an/an/an/a 1.60n/an/a



Pharmacia Farmitalia Carlo Erba

Curated by ChEMBL


Assay Description
Tested for the rate constant against Human Leukocyte Elastase (HLE) inactivation


J Med Chem 37: 4003-19 (1994)


Article DOI: 10.1021/jm00049a020
BindingDB Entry DOI: 10.7270/Q2T43S5B
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50291919
PNG
((4S,7S)-2-Benzoyl-7-methoxy-3-methyl-4-(1-methyl-1...)
Show SMILES CO[C@@H]1C2N(C1=O)C(C(=O)c1ccccc1)=C(C)[C@@H](Sc1nnnn1C)S2(=O)=O
Show InChI InChI=1S/C17H17N5O5S2/c1-9-11(12(23)10-7-5-4-6-8-10)22-14(24)13(27-3)15(22)29(25,26)16(9)28-17-18-19-20-21(17)2/h4-8,13,15-16H,1-3H3/t13-,15?,16-/m0/s1
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n/an/an/an/an/an/a 2.30n/an/a



Pharmacia Farmitalia Carlo Erba

Curated by ChEMBL


Assay Description
Tested for the rate constant against Human Leukocyte Elastase (HLE) inactivation


J Med Chem 37: 4003-19 (1994)


Article DOI: 10.1021/jm00049a020
BindingDB Entry DOI: 10.7270/Q2T43S5B
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50291920
PNG
(Acetic acid (S)-7-chloro-5,5,8-trioxo-2-(3-oxo-but...)
Show SMILES CC(=O)CCC1=C(COC(C)=O)CS(=O)(=O)C2[C@@H](Cl)C(=O)N12
Show InChI InChI=1S/C13H16ClNO6S/c1-7(16)3-4-10-9(5-21-8(2)17)6-22(19,20)13-11(14)12(18)15(10)13/h11,13H,3-6H2,1-2H3/t11-,13?/m0/s1
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n/an/an/an/an/an/a 2.10n/an/a



Pharmacia Farmitalia Carlo Erba

Curated by ChEMBL


Assay Description
Tested for the rate constant against Human Leukocyte Elastase (HLE) inactivation


J Med Chem 37: 4003-19 (1994)


Article DOI: 10.1021/jm00049a020
BindingDB Entry DOI: 10.7270/Q2T43S5B
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50291921
PNG
((S)-3-Acetoxymethyl-7-chloro-5,5,8-trioxo-5lambda*...)
Show SMILES COC(=O)C1=C(COC(C)=O)CS(=O)(=O)C2[C@@H](Cl)C(=O)N12
Show InChI InChI=1S/C11H12ClNO7S/c1-5(14)20-3-6-4-21(17,18)10-7(12)9(15)13(10)8(6)11(16)19-2/h7,10H,3-4H2,1-2H3/t7-,10?/m0/s1
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n/an/an/an/an/an/a 1.30n/an/a



Pharmacia Farmitalia Carlo Erba

Curated by ChEMBL


Assay Description
Tested for the rate constant against Human Leukocyte Elastase (HLE) inactivation


J Med Chem 37: 4003-19 (1994)


Article DOI: 10.1021/jm00049a020
BindingDB Entry DOI: 10.7270/Q2T43S5B
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50291922
PNG
((S)-7-Methoxy-5,5,8-trioxo-3-(pyridin-2-ylsulfanyl...)
Show SMILES CO[C@@H]1C2N(C1=O)C(C(=O)OC(C)(C)C)=C(CSc1ccccn1)CS2(=O)=O
Show InChI InChI=1S/C18H22N2O6S2/c1-18(2,3)26-17(22)13-11(9-27-12-7-5-6-8-19-12)10-28(23,24)16-14(25-4)15(21)20(13)16/h5-8,14,16H,9-10H2,1-4H3/t14-,16?/m0/s1
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n/an/an/an/an/an/a 900n/an/a



Pharmacia Farmitalia Carlo Erba

Curated by ChEMBL


Assay Description
Tested for the rate constant against Human Leukocyte Elastase (HLE) inactivation


J Med Chem 37: 4003-19 (1994)


Article DOI: 10.1021/jm00049a020
BindingDB Entry DOI: 10.7270/Q2T43S5B
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50291923
PNG
((4S,7S)-2-(2,2-Dimethyl-propionyl)-7-methoxy-4-(1-...)
Show SMILES CO[C@@H]1C2N(C1=O)C(C(=O)C(C)(C)C)=C(CSc1nnnn1C)[C@@H](Sc1nnnn1C)S2(=O)=O
Show InChI InChI=1S/C17H23N9O5S3/c1-17(2,3)11(27)9-8(7-32-15-18-20-22-24(15)4)14(33-16-19-21-23-25(16)5)34(29,30)13-10(31-6)12(28)26(9)13/h10,13-14H,7H2,1-6H3/t10-,13?,14-/m0/s1
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n/an/an/an/an/an/a 2.60n/an/a



Pharmacia Farmitalia Carlo Erba

Curated by ChEMBL


Assay Description
Tested for the rate constant against Human Leukocyte Elastase (HLE) inactivation


J Med Chem 37: 4003-19 (1994)


Article DOI: 10.1021/jm00049a020
BindingDB Entry DOI: 10.7270/Q2T43S5B
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50291924
PNG
((4S,7S)-2-(2,2-Dimethyl-propionyl)-7-methoxy-3-met...)
Show SMILES CO[C@@H]1C2N(C1=O)C(C(=O)C(C)(C)C)=C(C)[C@@H](Sc1nnnn1C)S2(=O)=O
Show InChI InChI=1S/C15H21N5O5S2/c1-7-8(10(21)15(2,3)4)20-11(22)9(25-6)12(20)27(23,24)13(7)26-14-16-17-18-19(14)5/h9,12-13H,1-6H3/t9-,12?,13-/m0/s1
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n/an/an/an/an/an/a 1n/an/a



Pharmacia Farmitalia Carlo Erba

Curated by ChEMBL


Assay Description
Tested for the rate constant against Human Leukocyte Elastase (HLE) inactivation


J Med Chem 37: 4003-19 (1994)


Article DOI: 10.1021/jm00049a020
BindingDB Entry DOI: 10.7270/Q2T43S5B
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50003159
PNG
(3-(6-Hydroxy-2-methyl-5-oxo-2,5-dihydro-[1,2,4]tri...)
Show SMILES CO[C@@H]1[C@@H]2N(C1=O)C(C(=O)N1CCCC1)=C(CSc1nc(=O)c(=O)[nH]n1C)CS2(=O)=O
Show InChI InChI=1S/C17H21N5O7S2/c1-20-17(18-12(23)13(24)19-20)30-7-9-8-31(27,28)16-11(29-2)15(26)22(16)10(9)14(25)21-5-3-4-6-21/h11,16H,3-8H2,1-2H3,(H,19,24)/t11-,16+/m0/s1
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n/an/an/an/an/an/a 9.20n/an/a



Pharmacia Farmitalia Carlo Erba

Curated by ChEMBL


Assay Description
Tested for the rate constant against Human Leukocyte Elastase (HLE) inactivation


J Med Chem 37: 4003-19 (1994)


Article DOI: 10.1021/jm00049a020
BindingDB Entry DOI: 10.7270/Q2T43S5B
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50291925
PNG
((4S,7S)-2-(2,2-Dimethyl-propionyl)-7-methoxy-3-met...)
Show SMILES CO[C@@H]1C2N(C1=O)C(C(=O)C(C)(C)C)=C(C)[C@@H](Sc1nnc(C)s1)S2(=O)=O
Show InChI InChI=1S/C16H21N3O5S3/c1-7-9(11(20)16(3,4)5)19-12(21)10(24-6)13(19)27(22,23)14(7)26-15-18-17-8(2)25-15/h10,13-14H,1-6H3/t10-,13?,14-/m0/s1
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n/an/an/an/an/an/a 4.70E+4n/an/a



Pharmacia Farmitalia Carlo Erba

Curated by ChEMBL


Assay Description
Tested for the rate constant against Human Leukocyte Elastase (HLE) inactivation


J Med Chem 37: 4003-19 (1994)


Article DOI: 10.1021/jm00049a020
BindingDB Entry DOI: 10.7270/Q2T43S5B
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50291926
PNG
(Acetic acid (S)-7-chloro-5,5,8-trioxo-2-propionyl-...)
Show SMILES CCC(=O)C1=C(COC(C)=O)CS(=O)(=O)C2[C@@H](Cl)C(=O)N12
Show InChI InChI=1S/C12H14ClNO6S/c1-3-8(16)10-7(4-20-6(2)15)5-21(18,19)12-9(13)11(17)14(10)12/h9,12H,3-5H2,1-2H3/t9-,12?/m0/s1
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n/an/an/an/an/an/a 7.30n/an/a



Pharmacia Farmitalia Carlo Erba

Curated by ChEMBL


Assay Description
Tested for the rate constant against Human Leukocyte Elastase (HLE) inactivation


J Med Chem 37: 4003-19 (1994)


Article DOI: 10.1021/jm00049a020
BindingDB Entry DOI: 10.7270/Q2T43S5B
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50291927
PNG
((S)-7-Chloro-2-(2,2-dimethyl-propionyl)-3-methoxym...)
Show SMILES COCC1=C(N2C([C@@H](Cl)C2=O)S(=O)(=O)C1)C(=O)C(C)(C)C
Show InChI InChI=1S/C13H18ClNO5S/c1-13(2,3)10(16)9-7(5-20-4)6-21(18,19)12-8(14)11(17)15(9)12/h8,12H,5-6H2,1-4H3/t8-,12?/m0/s1
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n/an/an/an/an/an/a 1.5n/an/a



Pharmacia Farmitalia Carlo Erba

Curated by ChEMBL


Assay Description
Tested for the rate constant against Human Leukocyte Elastase (HLE) inactivation


J Med Chem 37: 4003-19 (1994)


Article DOI: 10.1021/jm00049a020
BindingDB Entry DOI: 10.7270/Q2T43S5B
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50291928
PNG
((4S,7S)-2-Benzoyl-7-chloro-3-methyl-4-(1-methyl-1H...)
Show SMILES CC1=C(N2C([C@@H](Cl)C2=O)S(=O)(=O)[C@@H]1Sc1nnnn1C)C(=O)c1ccccc1
Show InChI InChI=1S/C16H14ClN5O4S2/c1-8-11(12(23)9-6-4-3-5-7-9)22-13(24)10(17)14(22)28(25,26)15(8)27-16-18-19-20-21(16)2/h3-7,10,14-15H,1-2H3/t10-,14?,15-/m0/s1
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n/an/an/an/an/an/a 1.30n/an/a



Pharmacia Farmitalia Carlo Erba

Curated by ChEMBL


Assay Description
Tested for the rate constant against Human Leukocyte Elastase (HLE) inactivation


J Med Chem 37: 4003-19 (1994)


Article DOI: 10.1021/jm00049a020
BindingDB Entry DOI: 10.7270/Q2T43S5B
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50291929
PNG
((4S,7S)-2-Benzoyl-7-methoxy-4-(5-methyl-2,5-dihydr...)
Show SMILES CO[C@@H]1C2N(C1=O)C(C(=O)c1ccccc1)=C(CSC1=NNC(C)S1)[C@@H](SC1=NNC(C)S1)S2(=O)=O
Show InChI InChI=1S/C21H23N5O5S5/c1-10-22-24-20(33-10)32-9-13-14(15(27)12-7-5-4-6-8-12)26-17(28)16(31-3)18(26)36(29,30)19(13)35-21-25-23-11(2)34-21/h4-8,10-11,16,18-19,22-23H,9H2,1-3H3/t10?,11?,16-,18?,19-/m0/s1
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n/an/an/an/an/an/a 3.90n/an/a



Pharmacia Farmitalia Carlo Erba

Curated by ChEMBL


Assay Description
Tested for the rate constant against Human Leukocyte Elastase (HLE) inactivation


J Med Chem 37: 4003-19 (1994)


Article DOI: 10.1021/jm00049a020
BindingDB Entry DOI: 10.7270/Q2T43S5B
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50291930
PNG
(Acetic acid (S)-2-(2,2-dimethyl-propionyl)-7-metho...)
Show SMILES CO[C@@H]1C2N(C1=O)C(C(=O)C(C)(C)C)=C(COC(C)=O)CS2(=O)=O
Show InChI InChI=1S/C15H21NO7S/c1-8(17)23-6-9-7-24(20,21)14-11(22-5)13(19)16(14)10(9)12(18)15(2,3)4/h11,14H,6-7H2,1-5H3/t11-,14?/m0/s1
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n/an/an/an/an/an/a 2.40E+4n/an/a



Pharmacia Farmitalia Carlo Erba

Curated by ChEMBL


Assay Description
Tested for the rate constant against Human Leukocyte Elastase (HLE) inactivation


J Med Chem 37: 4003-19 (1994)


Article DOI: 10.1021/jm00049a020
BindingDB Entry DOI: 10.7270/Q2T43S5B
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50280672
PNG
((6R,7S)-2-Benzoyl-7-methoxy-3-(1-methyl-1H-tetrazo...)
Show SMILES CO[C@@H]1[C@@H]2N(C1=O)C(C(=O)c1ccccc1)=C(CSc1nnnn1C)CS2(=O)=O
Show InChI InChI=1S/C17H17N5O5S2/c1-21-17(18-19-20-21)28-8-11-9-29(25,26)16-14(27-2)15(24)22(16)12(11)13(23)10-6-4-3-5-7-10/h3-7,14,16H,8-9H2,1-2H3/t14-,16+/m0/s1
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n/an/an/an/an/an/a 1.80n/an/a



Pharmacia Farmitalia Carlo Erba

Curated by ChEMBL


Assay Description
Tested for the rate constant against Human Leukocyte Elastase (HLE) inactivation


J Med Chem 37: 4003-19 (1994)


Article DOI: 10.1021/jm00049a020
BindingDB Entry DOI: 10.7270/Q2T43S5B
More data for this
Ligand-Target Pair
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