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There are 94 purchasable compounds for target: Human leukocyte elastase

Compile data set for download or QSAR
Wt: 268.2
BDBM50449429
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Wt: 237.2
BDBM50449420
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Wt: 221.2
BDBM50449422
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Wt: 175.1
BDBM50449424
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Wt: 270.2
BDBM11318
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Wt: 519.6
BDBM12311
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Wt: 217.1
BDBM23703
Wt: 291.3
BDBM23704
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Wt: 265.1
BDBM23705
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Wt: 241.0
BDBM23706
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Wt: 249.1
BDBM23707
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Wt: 287.0
BDBM23708
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Wt: 276.2
BDBM23709
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Wt: 231.2
BDBM23710
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Wt: 217.1
BDBM23711
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Displayed 1 to 15 (of 94 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 16 hits for monomerid = 50449429,50449420,50449422,50449424,11318,12311,23703,23704,23705,23706,23707,23708,23709,23710,23711   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Leukocyte elastase


(Homo sapiens (Human))
BDBM23709
PNG
(3-methyl-1-[(3,4,5-trimethoxyphenyl)carbonyl]-1H-p...)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)n1ccc(C)n1
Show InChI InChI=1S/C14H16N2O4/c1-9-5-6-16(15-9)14(17)10-7-11(18-2)13(20-4)12(8-10)19-3/h5-8H,1-4H3
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21 -10.5n/an/an/an/an/a7.525



Montana State University



Assay Description
HTS was performed in black flat-bottom 96-well microtiter plates. The reaction was initiated by addition of elastase substrate to the reaction buffer...


J Med Chem 50: 4928-38 (2007)


Article DOI: 10.1021/jm070600+
BindingDB Entry DOI: 10.7270/Q2ST7N5S
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM23710
PNG
(1-[(4-methylphenyl)carbonyl]-3-nitro-1H-pyrazole |...)
Show SMILES Cc1ccc(cc1)C(=O)n1ccc(n1)[N+]([O-])=O
Show InChI InChI=1S/C11H9N3O3/c1-8-2-4-9(5-3-8)11(15)13-7-6-10(12-13)14(16)17/h2-7H,1H3
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28 -10.3n/an/an/an/an/a7.525



Montana State University



Assay Description
HTS was performed in black flat-bottom 96-well microtiter plates. The reaction was initiated by addition of elastase substrate to the reaction buffer...


J Med Chem 50: 4928-38 (2007)


Article DOI: 10.1021/jm070600+
BindingDB Entry DOI: 10.7270/Q2ST7N5S
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM23703
PNG
(1-benzoyl-4-nitro-1H-pyrazole | N-Benzoylpyrazole ...)
Show SMILES [O-][N+](=O)c1cnn(c1)C(=O)c1ccccc1
Show InChI InChI=1S/C10H7N3O3/c14-10(8-4-2-1-3-5-8)12-7-9(6-11-12)13(15)16/h1-7H
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34 -10.2n/an/an/an/an/a7.525



Montana State University



Assay Description
HTS was performed in black flat-bottom 96-well microtiter plates. The reaction was initiated by addition of elastase substrate to the reaction buffer...


J Med Chem 50: 4928-38 (2007)


Article DOI: 10.1021/jm070600+
BindingDB Entry DOI: 10.7270/Q2ST7N5S
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM23704
PNG
(1-benzoyl-N-phenyl-1H-pyrazole-3-carboxamide | N-B...)
Show SMILES O=C(Nc1ccccc1)c1ccn(n1)C(=O)c1ccccc1
Show InChI InChI=1S/C17H13N3O2/c21-16(18-14-9-5-2-6-10-14)15-11-12-20(19-15)17(22)13-7-3-1-4-8-13/h1-12H,(H,18,21)
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39 -10.1n/an/an/an/an/a7.525



Montana State University



Assay Description
HTS was performed in black flat-bottom 96-well microtiter plates. The reaction was initiated by addition of elastase substrate to the reaction buffer...


J Med Chem 50: 4928-38 (2007)


Article DOI: 10.1021/jm070600+
BindingDB Entry DOI: 10.7270/Q2ST7N5S
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM23705
PNG
(4-bromo-1-[(4-methylphenyl)carbonyl]-1H-pyrazole |...)
Show SMILES Cc1ccc(cc1)C(=O)n1cc(Br)cn1
Show InChI InChI=1S/C11H9BrN2O/c1-8-2-4-9(5-3-8)11(15)14-7-10(12)6-13-14/h2-7H,1H3
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45 -10.0n/an/an/an/an/a7.525



Montana State University



Assay Description
HTS was performed in black flat-bottom 96-well microtiter plates. The reaction was initiated by addition of elastase substrate to the reaction buffer...


J Med Chem 50: 4928-38 (2007)


Article DOI: 10.1021/jm070600+
BindingDB Entry DOI: 10.7270/Q2ST7N5S
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM23711
PNG
(1-benzoyl-3-nitro-1H-pyrazole | N-Benzoylpyrazole ...)
Show SMILES [O-][N+](=O)c1ccn(n1)C(=O)c1ccccc1
Show InChI InChI=1S/C10H7N3O3/c14-10(8-4-2-1-3-5-8)12-7-6-9(11-12)13(15)16/h1-7H
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46 -10.0n/an/an/an/an/a7.525



Montana State University



Assay Description
HTS was performed in black flat-bottom 96-well microtiter plates. The reaction was initiated by addition of elastase substrate to the reaction buffer...


J Med Chem 50: 4928-38 (2007)


Article DOI: 10.1021/jm070600+
BindingDB Entry DOI: 10.7270/Q2ST7N5S
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM23706
PNG
(1-[(3,4-dichlorophenyl)carbonyl]-1H-pyrazole | N-B...)
Show SMILES Clc1ccc(cc1Cl)C(=O)n1cccn1
Show InChI InChI=1S/C10H6Cl2N2O/c11-8-3-2-7(6-9(8)12)10(15)14-5-1-4-13-14/h1-6H
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104 -9.52n/an/an/an/an/a7.525



Montana State University



Assay Description
HTS was performed in black flat-bottom 96-well microtiter plates. The reaction was initiated by addition of elastase substrate to the reaction buffer...


J Med Chem 50: 4928-38 (2007)


Article DOI: 10.1021/jm070600+
BindingDB Entry DOI: 10.7270/Q2ST7N5S
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM23707
PNG
(1-[(2-fluorophenyl)carbonyl]-5-methyl-3-nitro-1H-p...)
Show SMILES Cc1cc(nn1C(=O)c1ccccc1F)[N+]([O-])=O
Show InChI InChI=1S/C11H8FN3O3/c1-7-6-10(15(17)18)13-14(7)11(16)8-4-2-3-5-9(8)12/h2-6H,1H3
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107 -9.50n/an/an/an/an/a7.525



Montana State University



Assay Description
HTS was performed in black flat-bottom 96-well microtiter plates. The reaction was initiated by addition of elastase substrate to the reaction buffer...


J Med Chem 50: 4928-38 (2007)


Article DOI: 10.1021/jm070600+
BindingDB Entry DOI: 10.7270/Q2ST7N5S
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM23708
PNG
(4-bromo-1-[(2,6-difluorophenyl)carbonyl]-1H-pyrazo...)
Show SMILES Fc1cccc(F)c1C(=O)n1cc(Br)cn1
Show InChI InChI=1S/C10H5BrF2N2O/c11-6-4-14-15(5-6)10(16)9-7(12)2-1-3-8(9)13/h1-5H
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1.10E+3 -8.12n/an/an/an/an/a7.525



Montana State University



Assay Description
HTS was performed in black flat-bottom 96-well microtiter plates. The reaction was initiated by addition of elastase substrate to the reaction buffer...


J Med Chem 50: 4928-38 (2007)


Article DOI: 10.1021/jm070600+
BindingDB Entry DOI: 10.7270/Q2ST7N5S
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50449420
PNG
(CHEMBL145021)
Show SMILES O=c1oc(Cc2ccccc2)nc2ccccc12
Show InChI InChI=1S/C15H11NO2/c17-15-12-8-4-5-9-13(12)16-14(18-15)10-11-6-2-1-3-7-11/h1-9H,10H2
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3.98E+3n/an/an/an/an/an/an/an/a



Syntex Research

Curated by ChEMBL


Assay Description
Component deacylation rate constant for interaction with human leukocyte elastase


J Med Chem 33: 464-79 (1990)

Checked by Author
Article DOI: 10.1021/jm00164a002
BindingDB Entry DOI: 10.7270/Q2PR7X6X
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50449429
PNG
(2-(3-Nitrophenyl)-4H-3,1-benzoxazin-4-one (18) | C...)
Show SMILES [O-][N+](=O)c1cccc(c1)-c1nc2ccccc2c(=O)o1
Show InChI InChI=1S/C14H8N2O4/c17-14-11-6-1-2-7-12(11)15-13(20-14)9-4-3-5-10(8-9)16(18)19/h1-8H
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3.98E+3n/an/an/an/an/an/an/an/a



Syntex Research

Curated by ChEMBL


Assay Description
Component deacylation rate constant for interaction with human leukocyte elastase


J Med Chem 33: 464-79 (1990)

Checked by Author
Article DOI: 10.1021/jm00164a002
BindingDB Entry DOI: 10.7270/Q2PR7X6X
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50449424
PNG
(CHEMBL145342)
Show SMILES Cc1ccc2nc(C)oc(=O)c2c1
Show InChI InChI=1S/C10H9NO2/c1-6-3-4-9-8(5-6)10(12)13-7(2)11-9/h3-5H,1-2H3
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3.16E+4n/an/an/an/an/an/an/an/a



Syntex Research

Curated by ChEMBL


Assay Description
Component deacylation rate constant for interaction with human leukocyte elastase


J Med Chem 33: 464-79 (1990)

Checked by Author
Article DOI: 10.1021/jm00164a002
BindingDB Entry DOI: 10.7270/Q2PR7X6X
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50449422
PNG
(CHEMBL356573)
Show SMILES COc1cc2nc(C)oc(=O)c2cc1OC
Show InChI InChI=1S/C11H11NO4/c1-6-12-8-5-10(15-3)9(14-2)4-7(8)11(13)16-6/h4-5H,1-3H3
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7.94E+5n/an/an/an/an/an/an/an/a



Syntex Research

Curated by ChEMBL


Assay Description
Component deacylation rate constant for interaction with human leukocyte elastase


J Med Chem 33: 464-79 (1990)

Checked by Author
Article DOI: 10.1021/jm00164a002
BindingDB Entry DOI: 10.7270/Q2PR7X6X
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM12311
PNG
((1R,5S)-N-[3-Amino-1-(cyclobutylmethyl)-2,3-dioxop...)
Show SMILES CC(C)(C)NC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)NC(CC1CCC1)C(=O)C(N)=O)C2(C)C)C(C)(C)C
Show InChI InChI=1S/C27H45N5O5/c1-25(2,3)20(30-24(37)31-26(4,5)6)23(36)32-13-15-17(27(15,7)8)18(32)22(35)29-16(19(33)21(28)34)12-14-10-9-11-14/h14-18,20H,9-13H2,1-8H3,(H2,28,34)(H,29,35)(H2,30,31,37)/t15-,16?,17-,18-,20+/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Neutrophil elastase 2


Antimicrob Agents Chemother 54: 305-11 (2009)


Article DOI: 10.1128/AAC.00677-09
BindingDB Entry DOI: 10.7270/Q2JW8F39
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM12311
PNG
((1R,5S)-N-[3-Amino-1-(cyclobutylmethyl)-2,3-dioxop...)
Show SMILES CC(C)(C)NC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)NC(CC1CCC1)C(=O)C(N)=O)C2(C)C)C(C)(C)C
Show InChI InChI=1S/C27H45N5O5/c1-25(2,3)20(30-24(37)31-26(4,5)6)23(36)32-13-15-17(27(15,7)8)18(32)22(35)29-16(19(33)21(28)34)12-14-10-9-11-14/h14-18,20H,9-13H2,1-8H3,(H2,28,34)(H,29,35)(H2,30,31,37)/t15-,16?,17-,18-,20+/m0/s1
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n/an/a 1.70E+4n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human leukocyte elastase after 60 mins fluorescence assay


Antimicrob Agents Chemother 54: 4611-8 (2010)


Article DOI: 10.1128/AAC.00787-10
BindingDB Entry DOI: 10.7270/Q2NP24Q7
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM11318
PNG
(1,3,8-trihydroxy-6-methyl-9,10-dihydroanthracene-9...)
Show SMILES Cc1cc(O)c2C(=O)c3c(O)cc(O)cc3C(=O)c2c1
Show InChI InChI=1S/C15H10O5/c1-6-2-8-12(10(17)3-6)15(20)13-9(14(8)19)4-7(16)5-11(13)18/h2-5,16-18H,1H3
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n/an/a 5.20E+4n/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Compound was tested for the enzyme inhibitory activity against Human Leukocyte Elastase (HLE) at 53 uM concentration


J Med Chem 35: 1597-605 (1992)


Article DOI: 10.1021/jm00087a014
BindingDB Entry DOI: 10.7270/Q2QN67D7
More data for this
Ligand-Target Pair