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Compile Data Set for Download or QSAR

Marvin 2D Structure

Wt: 175.1
BDBM50449424
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Wt: 176.1
BDBM50449416
Wt: 168.1
BDBM85461
Wt: 176.1
BDBM50063713
Wt: 162.1
BDBM50063716
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Wt: 142.1
BDBM50101133
Wt: 174.1
BDBM50171289
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Wt: 161.1
BDBM50406209
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Wt: 175.1
BDBM50406310
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Wt: 175.1
BDBM50406267
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Wt: 161.1
BDBM50406278
Wt: 176.1
BDBM50406283
Wt: 140.1
BDBM50405197
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Wt: 154.1
BDBM50405201
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Wt: 126.1
BDBM50405204
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Displayed 1 to 15 (of 2811 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 36 hits in this display   
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))
BDBM50406278
PNG
(CHEMBL145782)
Show SMILES Cc1cccc2ncoc(=O)c12
Show InChI InChI=1S/C9H7NO2/c1-6-3-2-4-7-8(6)9(11)12-5-10-7/h2-5H,1H3
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200n/an/an/an/a 0.0000955 437n/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))
BDBM50406310
PNG
(CHEMBL145271)
Show SMILES Cc1nc2cccc(C)c2c(=O)o1
Show InChI InChI=1S/C10H9NO2/c1-6-4-3-5-8-9(6)10(12)13-7(2)11-8/h3-5H,1-2H3
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1.00E+3n/an/an/an/a 0.00302 3.02E+3n/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))
BDBM50406209
PNG
(CHEMBL343202)
Show SMILES Cc1nc2ccccc2c(=O)o1
Show InChI InChI=1S/C9H7NO2/c1-6-10-8-5-3-2-4-7(8)9(11)12-6/h2-5H,1H3
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5.01E+3n/an/an/an/a 0.0417 8.71E+3n/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))
BDBM50063713
PNG
(2-Methylamino-benzo[d][1,3]oxazin-4-one | CHEMBL10...)
Show SMILES CNc1nc2ccccc2c(=O)o1
Show InChI InChI=1S/C9H8N2O2/c1-10-9-11-7-5-3-2-4-6(7)8(12)13-9/h2-5H,1H3,(H,10,11)
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6.31E+3n/an/an/an/a 0.0389 5.62E+3n/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))
BDBM50063713
PNG
(2-Methylamino-benzo[d][1,3]oxazin-4-one | CHEMBL10...)
Show SMILES CNc1nc2ccccc2c(=O)o1
Show InChI InChI=1S/C9H8N2O2/c1-10-9-11-7-5-3-2-4-6(7)8(12)13-9/h2-5H,1H3,(H,10,11)
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6.90E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Rate of deacylation by human leukocyte elastase


J Med Chem 30: 589-591 (1987)


Article DOI: 10.1021/jm00387a001
BindingDB Entry DOI: 10.7270/Q2GQ6XRH
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50406283
PNG
(CHEMBL343004)
Show SMILES Cc1nc2c(N)cccc2c(=O)o1
Show InChI InChI=1S/C9H8N2O2/c1-5-11-8-6(9(12)13-5)3-2-4-7(8)10/h2-4H,10H2,1H3
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7.94E+3n/an/an/an/an/a 2.00E+3n/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))
BDBM50406267
PNG
(CHEMBL144955)
Show SMILES Cc1nc2c(C)cccc2c(=O)o1
Show InChI InChI=1S/C10H9NO2/c1-6-4-3-5-8-9(6)11-7(2)13-10(8)12/h3-5H,1-2H3
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7.94E+3n/an/an/an/a 0.0234 3.16E+3n/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))
BDBM50063716
PNG
(2-Amino-benzo[d][1,3]oxazin-4-one | CHEMBL268763)
Show SMILES Nc1nc2ccccc2c(=O)o1
Show InChI InChI=1S/C8H6N2O2/c9-8-10-6-4-2-1-3-5(6)7(11)12-8/h1-4H,(H2,9,10)
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6.30E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Rate of deacylation by human leukocyte elastase


J Med Chem 30: 589-591 (1987)


Article DOI: 10.1021/jm00387a001
BindingDB Entry DOI: 10.7270/Q2GQ6XRH
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50063716
PNG
(2-Amino-benzo[d][1,3]oxazin-4-one | CHEMBL268763)
Show SMILES Nc1nc2ccccc2c(=O)o1
Show InChI InChI=1S/C8H6N2O2/c9-8-10-6-4-2-1-3-5(6)7(11)12-8/h1-4H,(H2,9,10)
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6.31E+4n/an/an/an/a 0.0513 813n/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))
BDBM85461
PNG
(Pyrazolooxadiazinone, 2b)
Show SMILES Cc1nn(C)c2NC(=O)ONc12
Show InChI InChI=1S/C6H8N4O2/c1-3-4-5(10(2)8-3)7-6(11)12-9-4/h9H,1-2H3,(H,7,11)
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2.07E+5 -21.0n/an/an/an/an/an/a25



Università di Ferrara



Assay Description
The enzyme were assayed spectrophotometrically at 410nm with p-nitroanilide substrates at 25 C.


J Enzym Inhib 16: 15-34 (2001)


BindingDB Entry DOI: 10.7270/Q2XP73FM
More data for this
Ligand-Target Pair
Chymotrypsin


(Homo sapiens (human))
BDBM50405201
PNG
(CHEMBL54204)
Show SMILES Cc1oc(=O)c(C)c(O)c1C
Show InChI InChI=1S/C8H10O3/c1-4-6(3)11-8(10)5(2)7(4)9/h9H,1-3H3
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1.82E+6n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine Chymotrypsinogen expressed as inhibitory constant


J Med Chem 28: 1828-32 (1986)


Article DOI: 10.1021/jm00150a013
BindingDB Entry DOI: 10.7270/Q28S4R4F
More data for this
Ligand-Target Pair
Elastase


(Sus scrofa (Pig))
BDBM50405204
PNG
(CHEMBL54907)
Show SMILES Cc1cc(O)cc(=O)o1
Show InChI InChI=1S/C6H6O3/c1-4-2-5(7)3-6(8)9-4/h2-3,7H,1H3
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3.09E+6n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against porcine pancreatic elastase (PP elastase) expressed as inhibitory constant


J Med Chem 28: 1828-32 (1986)


Article DOI: 10.1021/jm00150a013
BindingDB Entry DOI: 10.7270/Q28S4R4F
More data for this
Ligand-Target Pair
Chymotrypsin


(Homo sapiens (human))
BDBM50405197
PNG
(CHEMBL51918)
Show SMILES Cc1cc(O)c(C)c(=O)o1
Show InChI InChI=1S/C7H8O3/c1-4-3-6(8)5(2)7(9)10-4/h3,8H,1-2H3
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3.47E+6n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine Chymotrypsinogen expressed as inhibitory constant


J Med Chem 28: 1828-32 (1986)


Article DOI: 10.1021/jm00150a013
BindingDB Entry DOI: 10.7270/Q28S4R4F
More data for this
Ligand-Target Pair
Elastase


(Sus scrofa (Pig))
BDBM50405197
PNG
(CHEMBL51918)
Show SMILES Cc1cc(O)c(C)c(=O)o1
Show InChI InChI=1S/C7H8O3/c1-4-3-6(8)5(2)7(9)10-4/h3,8H,1-2H3
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3.89E+6n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against porcine pancreatic elastase (PP elastase) expressed as inhibitory constant


J Med Chem 28: 1828-32 (1986)


Article DOI: 10.1021/jm00150a013
BindingDB Entry DOI: 10.7270/Q28S4R4F
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50405201
PNG
(CHEMBL54204)
Show SMILES Cc1oc(=O)c(C)c(O)c1C
Show InChI InChI=1S/C8H10O3/c1-4-6(3)11-8(10)5(2)7(4)9/h9H,1-3H3
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4.90E+6n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human leukocyte elastase (HL elastase) expressed as inhibitory constant


J Med Chem 28: 1828-32 (1986)


Article DOI: 10.1021/jm00150a013
BindingDB Entry DOI: 10.7270/Q28S4R4F
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50405197
PNG
(CHEMBL51918)
Show SMILES Cc1cc(O)c(C)c(=O)o1
Show InChI InChI=1S/C7H8O3/c1-4-3-6(8)5(2)7(9)10-4/h3,8H,1-2H3
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6.31E+6n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human leukocyte elastase (HL elastase) expressed as inhibitory constant


J Med Chem 28: 1828-32 (1986)


Article DOI: 10.1021/jm00150a013
BindingDB Entry DOI: 10.7270/Q28S4R4F
More data for this
Ligand-Target Pair
Chymotrypsin


(Homo sapiens (human))
BDBM50405204
PNG
(CHEMBL54907)
Show SMILES Cc1cc(O)cc(=O)o1
Show InChI InChI=1S/C6H6O3/c1-4-2-5(7)3-6(8)9-4/h2-3,7H,1H3
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6.31E+6n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine Chymotrypsinogen expressed as inhibitory constant


J Med Chem 28: 1828-32 (1986)


Article DOI: 10.1021/jm00150a013
BindingDB Entry DOI: 10.7270/Q28S4R4F
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50405204
PNG
(CHEMBL54907)
Show SMILES Cc1cc(O)cc(=O)o1
Show InChI InChI=1S/C6H6O3/c1-4-2-5(7)3-6(8)9-4/h2-3,7H,1H3
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8.13E+6n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human leukocyte elastase (HL elastase) expressed as inhibitory constant


J Med Chem 28: 1828-32 (1986)


Article DOI: 10.1021/jm00150a013
BindingDB Entry DOI: 10.7270/Q28S4R4F
More data for this
Ligand-Target Pair
Elastase


(Sus scrofa (Pig))
BDBM50405201
PNG
(CHEMBL54204)
Show SMILES Cc1oc(=O)c(C)c(O)c1C
Show InChI InChI=1S/C8H10O3/c1-4-6(3)11-8(10)5(2)7(4)9/h9H,1-3H3
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2.19E+7n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against porcine pancreatic elastase (PP elastase) expressed as inhibitory constant


J Med Chem 28: 1828-32 (1986)


Article DOI: 10.1021/jm00150a013
BindingDB Entry DOI: 10.7270/Q28S4R4F
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50101133
PNG
(1,3-Diethyl-[1,3]diazetidine-2,4-dione | CHEMBL298...)
Show SMILES CCN1C(=O)N(CC)C1=O
Show InChI InChI=1S/C6H10N2O2/c1-3-7-5(9)8(4-2)6(7)10/h3-4H2,1-2H3
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n/an/a 58n/an/an/an/an/an/a



Shionogi & Co., Ltd.

Curated by ChEMBL


Assay Description
Compound was evaluated for its inhibitory activity against human neutrophil elastase


Bioorg Med Chem Lett 11: 1691-4 (2001)


Article DOI: 10.1016/s0960-894x(01)00264-5
BindingDB Entry DOI: 10.7270/Q2V12421
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens)
BDBM50101133
PNG
(1,3-Diethyl-[1,3]diazetidine-2,4-dione | CHEMBL298...)
Show SMILES CCN1C(=O)N(CC)C1=O
Show InChI InChI=1S/C6H10N2O2/c1-3-7-5(9)8(4-2)6(7)10/h3-4H2,1-2H3
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n/an/a 740n/an/an/an/an/an/a



Shionogi & Co., Ltd.

Curated by ChEMBL


Assay Description
Compound was evaluated for its inhibitory activity against human cathepsin G


Bioorg Med Chem Lett 11: 1691-4 (2001)


Article DOI: 10.1016/s0960-894x(01)00264-5
BindingDB Entry DOI: 10.7270/Q2V12421
More data for this
Ligand-Target Pair
Chymotrypsin


(Homo sapiens (human))
BDBM50101133
PNG
(1,3-Diethyl-[1,3]diazetidine-2,4-dione | CHEMBL298...)
Show SMILES CCN1C(=O)N(CC)C1=O
Show InChI InChI=1S/C6H10N2O2/c1-3-7-5(9)8(4-2)6(7)10/h3-4H2,1-2H3
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n/an/a 740n/an/an/an/an/an/a



Shionogi & Co., Ltd.

Curated by ChEMBL


Assay Description
Compound was evaluated for its inhibitory activity against bovine pancreatic alpha-chymotrypsin


Bioorg Med Chem Lett 11: 1691-4 (2001)


Article DOI: 10.1016/s0960-894x(01)00264-5
BindingDB Entry DOI: 10.7270/Q2V12421
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50171289
PNG
(Benzenemethanesulfonyl fluoride | CHEMBL190503 | P...)
Show SMILES FS(=O)(=O)Cc1ccccc1
Show InChI InChI=1S/C7H7FO2S/c8-11(9,10)6-7-4-2-1-3-5-7/h1-5H,6H2
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n/an/a 833n/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Inhibition of rat histidine tagged FAAH expressed in Escherichia coli by coumarin ester substrate fluorescence assay


Bioorg Med Chem Lett 22: 4585-92 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.101
BindingDB Entry DOI: 10.7270/Q2GB255G
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50101133
PNG
(1,3-Diethyl-[1,3]diazetidine-2,4-dione | CHEMBL298...)
Show SMILES CCN1C(=O)N(CC)C1=O
Show InChI InChI=1S/C6H10N2O2/c1-3-7-5(9)8(4-2)6(7)10/h3-4H2,1-2H3
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n/an/a 5.60E+3n/an/an/an/an/an/a



Shionogi & Co., Ltd.

Curated by ChEMBL


Assay Description
Compound was evaluated for its inhibitory activity against human thrombin


Bioorg Med Chem Lett 11: 1691-4 (2001)


Article DOI: 10.1016/s0960-894x(01)00264-5
BindingDB Entry DOI: 10.7270/Q2V12421
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (human))
BDBM50101133
PNG
(1,3-Diethyl-[1,3]diazetidine-2,4-dione | CHEMBL298...)
Show SMILES CCN1C(=O)N(CC)C1=O
Show InChI InChI=1S/C6H10N2O2/c1-3-7-5(9)8(4-2)6(7)10/h3-4H2,1-2H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Shionogi & Co., Ltd.

Curated by ChEMBL


Assay Description
Compound was evaluated for its inhibitory activity against human plasmin


Bioorg Med Chem Lett 11: 1691-4 (2001)


Article DOI: 10.1016/s0960-894x(01)00264-5
BindingDB Entry DOI: 10.7270/Q2V12421
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 (FAAH)


(Homo sapiens (Human))
BDBM50171289
PNG
(Benzenemethanesulfonyl fluoride | CHEMBL190503 | P...)
Show SMILES FS(=O)(=O)Cc1ccccc1
Show InChI InChI=1S/C7H7FO2S/c8-11(9,10)6-7-4-2-1-3-5-7/h1-5H,6H2
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n/an/a 1.30E+4n/an/an/an/an/an/a



Universit£ Catholique de Louvain

Curated by ChEMBL


Assay Description
Irreversible inhibition of fatty acid amide hydrolase


J Med Chem 48: 5059-87 (2005)


Article DOI: 10.1021/jm058183t
BindingDB Entry DOI: 10.7270/Q2J96753
More data for this
Ligand-Target Pair
Leukocyte proteinase 3


(Homo sapiens)
BDBM50171289
PNG
(Benzenemethanesulfonyl fluoride | CHEMBL190503 | P...)
Show SMILES FS(=O)(=O)Cc1ccccc1
Show InChI InChI=1S/C7H7FO2S/c8-11(9,10)6-7-4-2-1-3-5-7/h1-5H,6H2
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n/an/a 1.92E+4n/an/an/an/an/an/a



University of Bergen

Curated by ChEMBL


Assay Description
Inhibition of human PR3 using D-DY-FRET as substrate after 30 mins by HPLC analysis


J Med Chem 57: 9396-408 (2014)


Article DOI: 10.1021/jm500782s
BindingDB Entry DOI: 10.7270/Q2VQ349F
More data for this
Ligand-Target Pair
Trypsin


(Bos taurus (bovine))
BDBM50101133
PNG
(1,3-Diethyl-[1,3]diazetidine-2,4-dione | CHEMBL298...)
Show SMILES CCN1C(=O)N(CC)C1=O
Show InChI InChI=1S/C6H10N2O2/c1-3-7-5(9)8(4-2)6(7)10/h3-4H2,1-2H3
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n/an/a 3.90E+4n/an/an/an/an/an/a



Shionogi & Co., Ltd.

Curated by ChEMBL


Assay Description
Compound was evaluated for its inhibitory activity against bovine pancreatic trypsin


Bioorg Med Chem Lett 11: 1691-4 (2001)


Article DOI: 10.1016/s0960-894x(01)00264-5
BindingDB Entry DOI: 10.7270/Q2V12421
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50171289
PNG
(Benzenemethanesulfonyl fluoride | CHEMBL190503 | P...)
Show SMILES FS(=O)(=O)Cc1ccccc1
Show InChI InChI=1S/C7H7FO2S/c8-11(9,10)6-7-4-2-1-3-5-7/h1-5H,6H2
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n/an/a 5.22E+4n/an/an/an/an/an/a



Chang Gung University

Curated by ChEMBL


Assay Description
Inhibition of human leukocyte elastase after 2 mins by ELISA


Eur J Med Chem 45: 3111-5 (2010)


Article DOI: 10.1016/j.ejmech.2010.03.046
BindingDB Entry DOI: 10.7270/Q2251JCW
More data for this
Ligand-Target Pair
Complement C1r subcomponent


(Homo sapiens (Human))
BDBM50063716
PNG
(2-Amino-benzo[d][1,3]oxazin-4-one | CHEMBL268763)
Show SMILES Nc1nc2ccccc2c(=O)o1
Show InChI InChI=1S/C8H6N2O2/c9-8-10-6-4-2-1-3-5(6)7(11)12-8/h1-4H,(H2,9,10)
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n/an/a>6.25E+4n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of 50% of human C1r Serine Protease by initially using CbzGly-Arg-S-Bzl as substrate


J Med Chem 41: 1060-7 (1998)


Article DOI: 10.1021/jm970394d
BindingDB Entry DOI: 10.7270/Q2PZ57ZT
More data for this
Ligand-Target Pair
Complement C1r subcomponent


(Homo sapiens (Human))
BDBM50063713
PNG
(2-Methylamino-benzo[d][1,3]oxazin-4-one | CHEMBL10...)
Show SMILES CNc1nc2ccccc2c(=O)o1
Show InChI InChI=1S/C9H8N2O2/c1-10-9-11-7-5-3-2-4-6(7)8(12)13-9/h2-5H,1H3,(H,10,11)
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n/an/a>6.25E+4n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of 50% of human C1r Serine Protease by initially using CbzGly-Arg-S-Bzl as substrate


J Med Chem 41: 1060-7 (1998)


Article DOI: 10.1021/jm970394d
BindingDB Entry DOI: 10.7270/Q2PZ57ZT
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50171289
PNG
(Benzenemethanesulfonyl fluoride | CHEMBL190503 | P...)
Show SMILES FS(=O)(=O)Cc1ccccc1
Show InChI InChI=1S/C7H7FO2S/c8-11(9,10)6-7-4-2-1-3-5-7/h1-5H,6H2
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n/an/a 9.52E+4n/an/an/an/an/an/a



Chang Gung University

Curated by ChEMBL


Assay Description
Inhibition of human neutrophil elastase after 30 mins by ELISA


Eur J Med Chem 45: 3111-5 (2010)


Article DOI: 10.1016/j.ejmech.2010.03.046
BindingDB Entry DOI: 10.7270/Q2251JCW
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50063716
PNG
(2-Amino-benzo[d][1,3]oxazin-4-one | CHEMBL268763)
Show SMILES Nc1nc2ccccc2c(=O)o1
Show InChI InChI=1S/C8H6N2O2/c9-8-10-6-4-2-1-3-5(6)7(11)12-8/h1-4H,(H2,9,10)
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n/an/an/an/an/a 0.0510n/an/an/a



TBA

Curated by ChEMBL


Assay Description
Rate of deacylation by human leukocyte elastase


J Med Chem 30: 589-591 (1987)


Article DOI: 10.1021/jm00387a001
BindingDB Entry DOI: 10.7270/Q2GQ6XRH
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50063713
PNG
(2-Methylamino-benzo[d][1,3]oxazin-4-one | CHEMBL10...)
Show SMILES CNc1nc2ccccc2c(=O)o1
Show InChI InChI=1S/C9H8N2O2/c1-10-9-11-7-5-3-2-4-6(7)8(12)13-9/h2-5H,1H3,(H,10,11)
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n/an/an/an/an/a 0.0380n/an/an/a



TBA

Curated by ChEMBL


Assay Description
Rate of deacylation by human leukocyte elastase


J Med Chem 30: 589-591 (1987)


Article DOI: 10.1021/jm00387a001
BindingDB Entry DOI: 10.7270/Q2GQ6XRH
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50449416
PNG
(CHEMBL145487)
Show SMILES Cc1cccc2nc(N)oc(=O)c12
Show InChI InChI=1S/C9H8N2O2/c1-5-3-2-4-6-7(5)8(12)13-9(10)11-6/h2-4H,1H3,(H2,10,11)
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n/an/an/an/an/a 0.468n/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