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Compile Data Set for Download or QSAR

Found 119 hits of ic50 for UniProtKB: P14756   
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
Elastase


(Pseudomonas aeruginosa)		BDBM50241254
PNG
(2-(benzyl-hydroxycarbamoylmethyl-amino)-N-[2-(4-su...)
Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)CN(CC(=O)NO)Cc2ccccc2)cc1
Show InChI InChI=1S/C19H24N4O5S/c20-29(27,28)17-8-6-15(7-9-17)10-11-21-18(24)13-23(14-19(25)22-26)12-16-4-2-1-3-5-16/h1-9,26H,10-14H2,(H,21,24)(H,22,25)(H2,20,27,28)
PDB
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n/an/a 400n/an/an/an/an/an/a



UiT - The Arctic University of Norway

Curated by ChEMBL


Assay Description
Inhibition of Pseudomonas aeruginosa pseudolysin using Abz-Ala-Gly-Leu-Ala-p-nitrobenzylamide as substrate after 15 mins

Eur J Med Chem 89: 340-8 (2015)


Article DOI: 10.1016/j.ejmech.2014.10.009
BindingDB Entry DOI: 10.7270/Q21Z47DC
More data for this
Ligand-Target Pair
Elastase


(Pseudomonas aeruginosa)		BDBM50614321
PNG
(CHEMBL5285201)		PDB
MMDB

KEGG

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n/an/a 1.00E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Elastase


(Pseudomonas aeruginosa)		BDBM50204382
PNG
(2-(benzyloxyamino)-N-hydroxyhexanamide | CHEMBL228...)
Show SMILES CCCCC(NOCc1ccccc1)C(=O)NO
Show InChI InChI=1S/C13H20N2O3/c1-2-3-9-12(13(16)14-17)15-18-10-11-7-5-4-6-8-11/h4-8,12,15,17H,2-3,9-10H2,1H3,(H,14,16)
PDB
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n/an/a 1.10E+3n/an/an/an/an/an/a



UiT The Arctic University of Norway

Curated by ChEMBL


Assay Description
Inhibition of Bacillus thermoproteolyticus pseudolysin pretreated with compound for 15 mins followed by the addition of Abz-Ala-Gly-leu-Ala-p-nitrobe...

Eur J Med Chem 108: 141-53 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.019
BindingDB Entry DOI: 10.7270/Q2HT2R63
More data for this
Ligand-Target Pair
Elastase


(Pseudomonas aeruginosa)		BDBM50204382
PNG
(2-(benzyloxyamino)-N-hydroxyhexanamide | CHEMBL228...)
Show SMILES CCCCC(NOCc1ccccc1)C(=O)NO
Show InChI InChI=1S/C13H20N2O3/c1-2-3-9-12(13(16)14-17)15-18-10-11-7-5-4-6-8-11/h4-8,12,15,17H,2-3,9-10H2,1H3,(H,14,16)
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n/an/a 1.90E+3n/an/an/an/an/an/a



UiT The Arctic University of Norway

Curated by ChEMBL


Assay Description
Inhibition of Pseudomonas aeruginosa pseudolysin pretreated with compound for 1 hr followed by the addition of 1.73 uM bradykinin like substrate by s...

Eur J Med Chem 108: 141-53 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.019
BindingDB Entry DOI: 10.7270/Q2HT2R63
More data for this
Ligand-Target Pair
Elastase


(Pseudomonas aeruginosa)		BDBM50485657
PNG
(CHEMBL2146996)
Show SMILES Cc1c(O)c(=S)ccn1Cc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C19H17NOS/c1-14-19(21)18(22)11-12-20(14)13-15-7-9-17(10-8-15)16-5-3-2-4-6-16/h2-12,21H,13H2,1H3
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n/an/a 2.73E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at Pseudomonas aeruginosa LasB using Abz-Ala-Gly-Leu-Ala-p-Nitro-Benzyl-Amide as substrate incubated for 30 mins prior to substra...

ACS Med Chem Lett 3: 668-672 (2012)


Article DOI: 10.1021/ml300128f
BindingDB Entry DOI: 10.7270/Q2BG2RVM
More data for this
Ligand-Target Pair
Elastase


(Pseudomonas aeruginosa)		BDBM50497676
PNG
(CHEMBL3361134)
Show SMILES ONC(=O)CN(CC(=O)NCCCN1CCN(CC1)c1ccccc1)Cc1ccccc1
Show InChI InChI=1S/C24H33N5O3/c30-23(19-28(20-24(31)26-32)18-21-8-3-1-4-9-21)25-12-7-13-27-14-16-29(17-15-27)22-10-5-2-6-11-22/h1-6,8-11,32H,7,12-20H2,(H,25,30)(H,26,31)
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n/an/a 2.80E+3n/an/an/an/an/an/a



UiT - The Arctic University of Norway

Curated by ChEMBL


Assay Description
Inhibition of Pseudomonas aeruginosa pseudolysin using Mca-Arg-Pro-Pro-Gly-Phe-Ser-Ala-Phe-Lys-(Dnp)-OH as substrate after 1 hr by fluorescence assay...

Eur J Med Chem 89: 340-8 (2015)


Article DOI: 10.1016/j.ejmech.2014.10.009
BindingDB Entry DOI: 10.7270/Q21Z47DC
More data for this
Ligand-Target Pair
Elastase


(Pseudomonas aeruginosa)		BDBM50485657
PNG
(CHEMBL2146996)
Show SMILES Cc1c(O)c(=S)ccn1Cc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C19H17NOS/c1-14-19(21)18(22)11-12-20(14)13-15-7-9-17(10-8-15)16-5-3-2-4-6-16/h2-12,21H,13H2,1H3
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n/an/a 3.00E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Elastase


(Pseudomonas aeruginosa)		BDBM50138798
PNG
(CHEMBL3754100)
Show SMILES CC(C)ON(CC(=O)NO)S(=O)(=O)c1ccc(Br)s1
Show InChI InChI=1S/C9H13BrN2O5S2/c1-6(2)17-12(5-8(13)11-14)19(15,16)9-4-3-7(10)18-9/h3-4,6,14H,5H2,1-2H3,(H,11,13)
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UniChem
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n/an/a 3.30E+3n/an/an/an/an/an/a



UiT The Arctic University of Norway

Curated by ChEMBL


Assay Description
Inhibition of Bacillus thermoproteolyticus pseudolysin pretreated with compound for 15 mins followed by the addition of Abz-Ala-Gly-leu-Ala-p-nitrobe...

Eur J Med Chem 108: 141-53 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.019
BindingDB Entry DOI: 10.7270/Q2HT2R63
More data for this
Ligand-Target Pair
Elastase


(Pseudomonas aeruginosa)		BDBM50485648
PNG
(CHEMBL2146995)
Show SMILES Cc1c(O)c(=S)ccn1Cc1ccc(cc1)-c1ccc(F)c(F)c1
Show InChI InChI=1S/C19H15F2NOS/c1-12-19(23)18(24)8-9-22(12)11-13-2-4-14(5-3-13)15-6-7-16(20)17(21)10-15/h2-10,23H,11H2,1H3
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n/an/a 3.34E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at Pseudomonas aeruginosa LasB using Abz-Ala-Gly-Leu-Ala-p-Nitro-Benzyl-Amide as substrate incubated for 30 mins prior to substra...

ACS Med Chem Lett 3: 668-672 (2012)


Article DOI: 10.1021/ml300128f
BindingDB Entry DOI: 10.7270/Q2BG2RVM
More data for this
Ligand-Target Pair
Elastase


(Pseudomonas aeruginosa)		BDBM50542686
PNG
(CHEMBL4648952)
Show SMILES SC1CC(=O)N(C1=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C10H7Cl2NO2S/c11-6-2-1-5(3-7(6)12)13-9(14)4-8(16)10(13)15/h1-3,8,16H,4H2
PDB
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n/an/a 3.40E+3n/an/an/an/an/an/a



Helmholtz Institute for Pharmaceutical Research Saarland (HIPS) - Helmholtz Centre for Infection Research (HZI)

Curated by ChEMBL


Assay Description
Inhibition of Pseudomonas aeruginosa PA14 LasB using 2-Aminobenzoyl-AlaGly-Leu-Ala-4-Nitrobenzylamide as fluorogenic substrate preincubated for 15 mi...

J Med Chem 63: 8359-8368 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00584
BindingDB Entry DOI: 10.7270/Q20005N6
More data for this
Ligand-Target Pair
Elastase


(Pseudomonas aeruginosa)		BDBM50542688
PNG
(CHEMBL4633389)
Show SMILES Fc1ccc(cc1F)N1C(=O)CC(S)C1=O
Show InChI InChI=1S/C10H7F2NO2S/c11-6-2-1-5(3-7(6)12)13-9(14)4-8(16)10(13)15/h1-3,8,16H,4H2
PDB
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n/an/a 3.50E+3n/an/an/an/an/an/a



Helmholtz Institute for Pharmaceutical Research Saarland (HIPS) - Helmholtz Centre for Infection Research (HZI)

Curated by ChEMBL


Assay Description
Inhibition of Pseudomonas aeruginosa PA14 LasB using 2-Aminobenzoyl-AlaGly-Leu-Ala-4-Nitrobenzylamide as fluorogenic substrate preincubated for 15 mi...

J Med Chem 63: 8359-8368 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00584
BindingDB Entry DOI: 10.7270/Q20005N6
More data for this
Ligand-Target Pair
Elastase


(Pseudomonas aeruginosa)		BDBM50485651
PNG
(CHEMBL2146997)
Show SMILES Cc1c(O)c(=S)ccn1Cc1ccc(cc1)-c1ccc2OCOc2c1
Show InChI InChI=1S/C20H17NO3S/c1-13-20(22)19(25)8-9-21(13)11-14-2-4-15(5-3-14)16-6-7-17-18(10-16)24-12-23-17/h2-10,22H,11-12H2,1H3
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n/an/a 3.58E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at Pseudomonas aeruginosa LasB using Abz-Ala-Gly-Leu-Ala-p-Nitro-Benzyl-Amide as substrate incubated for 30 mins prior to substra...

ACS Med Chem Lett 3: 668-672 (2012)


Article DOI: 10.1021/ml300128f
BindingDB Entry DOI: 10.7270/Q2BG2RVM
More data for this
Ligand-Target Pair
Elastase


(Pseudomonas aeruginosa)		BDBM50485646
PNG
(CHEMBL2146998)
Show SMILES Cc1c(O)c(=S)ccn1Cc1ccc(cc1)-c1ccc(F)cc1
Show InChI InChI=1S/C19H16FNOS/c1-13-19(22)18(23)10-11-21(13)12-14-2-4-15(5-3-14)16-6-8-17(20)9-7-16/h2-11,22H,12H2,1H3
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n/an/a 4.65E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at Pseudomonas aeruginosa LasB using Abz-Ala-Gly-Leu-Ala-p-Nitro-Benzyl-Amide as substrate incubated for 30 mins prior to substra...

ACS Med Chem Lett 3: 668-672 (2012)


Article DOI: 10.1021/ml300128f
BindingDB Entry DOI: 10.7270/Q2BG2RVM
More data for this
Ligand-Target Pair
Elastase


(Pseudomonas aeruginosa)		BDBM50485653
PNG
(CHEMBL2147001)
Show SMILES Cc1c(O)c(=S)ccn1Cc1ccc(cc1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C19H16ClNOS/c1-13-19(22)18(23)10-11-21(13)12-14-2-4-15(5-3-14)16-6-8-17(20)9-7-16/h2-11,22H,12H2,1H3
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n/an/a 5.27E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at Pseudomonas aeruginosa LasB using Abz-Ala-Gly-Leu-Ala-p-Nitro-Benzyl-Amide as substrate incubated for 30 mins prior to substra...

ACS Med Chem Lett 3: 668-672 (2012)


Article DOI: 10.1021/ml300128f
BindingDB Entry DOI: 10.7270/Q2BG2RVM
More data for this
Ligand-Target Pair
Elastase


(Pseudomonas aeruginosa)		BDBM50542708
PNG
(CHEMBL4639391)
Show SMILES SCC1CC(=O)N(C1=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C11H9Cl2NO2S/c12-8-2-1-7(4-9(8)13)14-10(15)3-6(5-17)11(14)16/h1-2,4,6,17H,3,5H2
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n/an/a 5.40E+3n/an/an/an/an/an/a



Helmholtz Institute for Pharmaceutical Research Saarland (HIPS) - Helmholtz Centre for Infection Research (HZI)

Curated by ChEMBL


Assay Description
Inhibition of Pseudomonas aeruginosa PA14 LasB using 2-Aminobenzoyl-AlaGly-Leu-Ala-4-Nitrobenzylamide as fluorogenic substrate preincubated for 15 mi...

J Med Chem 63: 8359-8368 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00584
BindingDB Entry DOI: 10.7270/Q20005N6
More data for this
Ligand-Target Pair
Elastase


(Pseudomonas aeruginosa)		BDBM50614322
PNG
(CHEMBL5277623)		PDB
MMDB

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n/an/a 6.00E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Elastase


(Pseudomonas aeruginosa)		BDBM50614323
PNG
(CHEMBL4754924)		PDB
MMDB

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n/an/a 6.00E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Elastase


(Pseudomonas aeruginosa)		BDBM88417
PNG
(MLS000109417 | S-[2-(3,4-dichloroanilino)-2-oxoeth...)
Show SMILES NC(=O)SCC(=O)Nc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C9H8Cl2N2O2S/c10-6-2-1-5(3-7(6)11)13-8(14)4-16-9(12)15/h1-3H,4H2,(H2,12,15)(H,13,14)
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n/an/a 6.20E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1039/d1md00187f
BindingDB Entry DOI: 10.7270/Q2N01BG9
More data for this
Ligand-Target Pair
Elastase


(Pseudomonas aeruginosa)		BDBM50542679
PNG
(CHEMBL4639584)
Show SMILES SCC(=O)Nc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C8H7Cl2NOS/c9-6-2-1-5(3-7(6)10)11-8(12)4-13/h1-3,13H,4H2,(H,11,12)
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n/an/a 6.60E+3n/an/an/an/an/an/a



Helmholtz Institute for Pharmaceutical Research Saarland (HIPS) - Helmholtz Centre for Infection Research (HZI)

Curated by ChEMBL


Assay Description
Inhibition of Pseudomonas aeruginosa PA14 LasB using 2-Aminobenzoyl-AlaGly-Leu-Ala-4-Nitrobenzylamide as fluorogenic substrate preincubated for 15 mi...

J Med Chem 63: 8359-8368 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00584
BindingDB Entry DOI: 10.7270/Q20005N6
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Elastase


(Pseudomonas aeruginosa)		BDBM50542679
PNG
(CHEMBL4639584)
Show SMILES SCC(=O)Nc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C8H7Cl2NOS/c9-6-2-1-5(3-7(6)10)11-8(12)4-13/h1-3,13H,4H2,(H,11,12)
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n/an/a 6.60E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1039/d1md00187f
BindingDB Entry DOI: 10.7270/Q2N01BG9
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Elastase


(Pseudomonas aeruginosa)		BDBM50497676
PNG
(CHEMBL3361134)
Show SMILES ONC(=O)CN(CC(=O)NCCCN1CCN(CC1)c1ccccc1)Cc1ccccc1
Show InChI InChI=1S/C24H33N5O3/c30-23(19-28(20-24(31)26-32)18-21-8-3-1-4-9-21)25-12-7-13-27-14-16-29(17-15-27)22-10-5-2-6-11-22/h1-6,8-11,32H,7,12-20H2,(H,25,30)(H,26,31)
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n/an/a 6.70E+3n/an/an/an/an/an/a



UiT - The Arctic University of Norway

Curated by ChEMBL


Assay Description
Inhibition of Pseudomonas aeruginosa pseudolysin using Abz-Ala-Gly-Leu-Ala-p-nitrobenzylamide as substrate after 15 mins

Eur J Med Chem 89: 340-8 (2015)


Article DOI: 10.1016/j.ejmech.2014.10.009
BindingDB Entry DOI: 10.7270/Q21Z47DC
More data for this
Ligand-Target Pair
Elastase


(Pseudomonas aeruginosa)		BDBM50485647
PNG
(CHEMBL2146999)
Show SMILES Cc1ccc(cc1)-c1ccc(Cn2ccc(=S)c(O)c2C)cc1
Show InChI InChI=1S/C20H19NOS/c1-14-3-7-17(8-4-14)18-9-5-16(6-10-18)13-21-12-11-19(23)20(22)15(21)2/h3-12,22H,13H2,1-2H3
PDB
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n/an/a 6.72E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at Pseudomonas aeruginosa LasB using Abz-Ala-Gly-Leu-Ala-p-Nitro-Benzyl-Amide as substrate incubated for 30 mins prior to substra...

ACS Med Chem Lett 3: 668-672 (2012)


Article DOI: 10.1021/ml300128f
BindingDB Entry DOI: 10.7270/Q2BG2RVM
More data for this
Ligand-Target Pair
Elastase


(Pseudomonas aeruginosa)		BDBM50138796
PNG
(CHEMBL3751971)
Show SMILES ONC(=O)Cc1ccccc1S(=O)(=O)c1ccc(OCCCN2C(=O)c3ccccc3C2=O)cc1
Show InChI InChI=1S/C25H22N2O7S/c28-23(26-31)16-17-6-1-4-9-22(17)35(32,33)19-12-10-18(11-13-19)34-15-5-14-27-24(29)20-7-2-3-8-21(20)25(27)30/h1-4,6-13,31H,5,14-16H2,(H,26,28)
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n/an/a 7.00E+3n/an/an/an/an/an/a



UiT The Arctic University of Norway

Curated by ChEMBL


Assay Description
Inhibition of Bacillus thermoproteolyticus pseudolysin pretreated with compound for 15 mins followed by the addition of Abz-Ala-Gly-leu-Ala-p-nitrobe...

Eur J Med Chem 108: 141-53 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.019
BindingDB Entry DOI: 10.7270/Q2HT2R63
More data for this
Ligand-Target Pair
Elastase


(Pseudomonas aeruginosa)		BDBM50542684
PNG
(CHEMBL4645590)
Show SMILES SC1CC(=O)N(C1=O)c1cccc(Cl)c1
Show InChI InChI=1S/C10H8ClNO2S/c11-6-2-1-3-7(4-6)12-9(13)5-8(15)10(12)14/h1-4,8,15H,5H2
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n/an/a 8.10E+3n/an/an/an/an/an/a



Helmholtz Institute for Pharmaceutical Research Saarland (HIPS) - Helmholtz Centre for Infection Research (HZI)

Curated by ChEMBL


Assay Description
Inhibition of Pseudomonas aeruginosa PA14 LasB using 2-Aminobenzoyl-AlaGly-Leu-Ala-4-Nitrobenzylamide as fluorogenic substrate preincubated for 15 mi...

J Med Chem 63: 8359-8368 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00584
BindingDB Entry DOI: 10.7270/Q20005N6
More data for this
Ligand-Target Pair
Elastase


(Pseudomonas aeruginosa)		BDBM50542683
PNG
(CHEMBL4638130)
Show SMILES SC1CC(=O)N(C1=O)c1ccccc1Cl
Show InChI InChI=1S/C10H8ClNO2S/c11-6-3-1-2-4-7(6)12-9(13)5-8(15)10(12)14/h1-4,8,15H,5H2
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n/an/a 8.50E+3n/an/an/an/an/an/a



Helmholtz Institute for Pharmaceutical Research Saarland (HIPS) - Helmholtz Centre for Infection Research (HZI)

Curated by ChEMBL


Assay Description
Inhibition of Pseudomonas aeruginosa PA14 LasB using 2-Aminobenzoyl-AlaGly-Leu-Ala-4-Nitrobenzylamide as fluorogenic substrate preincubated for 15 mi...

J Med Chem 63: 8359-8368 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00584
BindingDB Entry DOI: 10.7270/Q20005N6
More data for this
Ligand-Target Pair
Elastase


(Pseudomonas aeruginosa)		BDBM50485654
PNG
(CHEMBL2147000)
Show SMILES COc1ccc(cc1)-c1ccc(Cn2ccc(=S)c(O)c2C)cc1
Show InChI InChI=1S/C20H19NO2S/c1-14-20(22)19(24)11-12-21(14)13-15-3-5-16(6-4-15)17-7-9-18(23-2)10-8-17/h3-12,22H,13H2,1-2H3
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n/an/a 8.58E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at Pseudomonas aeruginosa LasB using Abz-Ala-Gly-Leu-Ala-p-Nitro-Benzyl-Amide as substrate incubated for 30 mins prior to substra...

ACS Med Chem Lett 3: 668-672 (2012)


Article DOI: 10.1021/ml300128f
BindingDB Entry DOI: 10.7270/Q2BG2RVM
More data for this
Ligand-Target Pair
Elastase


(Pseudomonas aeruginosa)		BDBM50542709
PNG
(CHEMBL4635838)
Show SMILES Fc1ccc(cc1F)N1C(=O)CC(CS)C1=O
Show InChI InChI=1S/C11H9F2NO2S/c12-8-2-1-7(4-9(8)13)14-10(15)3-6(5-17)11(14)16/h1-2,4,6,17H,3,5H2
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n/an/a 1.01E+4n/an/an/an/an/an/a



Helmholtz Institute for Pharmaceutical Research Saarland (HIPS) - Helmholtz Centre for Infection Research (HZI)

Curated by ChEMBL


Assay Description
Inhibition of Pseudomonas aeruginosa PA14 LasB using 2-Aminobenzoyl-AlaGly-Leu-Ala-4-Nitrobenzylamide as fluorogenic substrate preincubated for 15 mi...

J Med Chem 63: 8359-8368 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00584
BindingDB Entry DOI: 10.7270/Q20005N6
More data for this
Ligand-Target Pair
Elastase


(Pseudomonas aeruginosa)		BDBM50590254
PNG
(CHEMBL5187403)
Show SMILES SCC(=O)Nc1ccccc1Cl
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TBA



Citation and Details

Article DOI: 10.1039/d1md00187f
BindingDB Entry DOI: 10.7270/Q2N01BG9
More data for this
Ligand-Target Pair
Elastase


(Pseudomonas aeruginosa)		BDBM50590263
PNG
(CHEMBL5180620)
Show SMILES Cc1ccc(Cl)c(C)c1NC(=O)CS
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n/an/a 1.20E+4n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1039/d1md00187f
BindingDB Entry DOI: 10.7270/Q2N01BG9
More data for this
Ligand-Target Pair
Elastase


(Pseudomonas aeruginosa)		BDBM50015094
PNG
(CHEMBL152665 | N-Hydroxy-2-phenyl-acetamide | N-hy...)
Show SMILES ONC(=O)Cc1ccccc1
Show InChI InChI=1S/C8H9NO2/c10-8(9-11)6-7-4-2-1-3-5-7/h1-5,11H,6H2,(H,9,10)
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n/an/a 1.36E+4n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at Pseudomonas aeruginosa LasB using Abz-Ala-Gly-Leu-Ala-p-Nitro-Benzyl-Amide as substrate incubated for 30 mins prior to substra...

ACS Med Chem Lett 3: 668-672 (2012)


Article DOI: 10.1021/ml300128f
BindingDB Entry DOI: 10.7270/Q2BG2RVM
More data for this
Ligand-Target Pair
Elastase


(Pseudomonas aeruginosa)		BDBM50590257
PNG
(CHEMBL5178843)
Show SMILES Cc1ccccc1NC(=O)CS
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n/an/a 1.40E+4n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1039/d1md00187f
BindingDB Entry DOI: 10.7270/Q2N01BG9
More data for this
Ligand-Target Pair
Elastase


(Pseudomonas aeruginosa)		BDBM50590255
PNG
(CHEMBL5177773)
Show SMILES SCC(=O)Nc1cccc(Cl)c1
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TBA



Citation and Details

Article DOI: 10.1039/d1md00187f
BindingDB Entry DOI: 10.7270/Q2N01BG9
More data for this
Ligand-Target Pair
Elastase


(Pseudomonas aeruginosa)		BDBM50590264
PNG
(CHEMBL5186991)
Show SMILES NC(=O)SCC(=O)Nc1ccccc1Cl
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TBA



Citation and Details

Article DOI: 10.1039/d1md00187f
BindingDB Entry DOI: 10.7270/Q2N01BG9
More data for this
Ligand-Target Pair
Elastase


(Pseudomonas aeruginosa)		BDBM50542689
PNG
(CHEMBL4638991)
Show SMILES Cc1ccc(Cl)cc1N1C(=O)CC(S)C1=O
Show InChI InChI=1S/C11H10ClNO2S/c1-6-2-3-7(12)4-8(6)13-10(14)5-9(16)11(13)15/h2-4,9,16H,5H2,1H3
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n/an/a 1.50E+4n/an/an/an/an/an/a



Helmholtz Institute for Pharmaceutical Research Saarland (HIPS) - Helmholtz Centre for Infection Research (HZI)

Curated by ChEMBL


Assay Description
Inhibition of Pseudomonas aeruginosa PA14 LasB using 2-Aminobenzoyl-AlaGly-Leu-Ala-4-Nitrobenzylamide as fluorogenic substrate preincubated for 15 mi...

J Med Chem 63: 8359-8368 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00584
BindingDB Entry DOI: 10.7270/Q20005N6
More data for this
Ligand-Target Pair
Elastase


(Pseudomonas aeruginosa)		BDBM50241251
PNG
(2-[hydroxycarbamoylmethyl-(4-methoxy-benzenesulfon...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(=O)NO)CC(=O)NCCc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C19H24N4O8S2/c1-31-15-4-8-17(9-5-15)33(29,30)23(13-19(25)22-26)12-18(24)21-11-10-14-2-6-16(7-3-14)32(20,27)28/h2-9,26H,10-13H2,1H3,(H,21,24)(H,22,25)(H2,20,27,28)
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n/an/a 1.50E+4n/an/an/an/an/an/a



UiT - The Arctic University of Norway

Curated by ChEMBL


Assay Description
Inhibition of Pseudomonas aeruginosa pseudolysin using Abz-Ala-Gly-Leu-Ala-p-nitrobenzylamide as substrate after 15 mins

Eur J Med Chem 89: 340-8 (2015)


Article DOI: 10.1016/j.ejmech.2014.10.009
BindingDB Entry DOI: 10.7270/Q21Z47DC
More data for this
Ligand-Target Pair
Elastase


(Pseudomonas aeruginosa)		BDBM50241252
PNG
(2-[hydroxycarbamoylmethyl-(4-phenoxy-benzenesulfon...)
Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)CN(CC(=O)NO)S(=O)(=O)c2ccc(Oc3ccccc3)cc2)cc1
Show InChI InChI=1S/C24H26N4O8S2/c25-37(32,33)21-10-6-18(7-11-21)14-15-26-23(29)16-28(17-24(30)27-31)38(34,35)22-12-8-20(9-13-22)36-19-4-2-1-3-5-19/h1-13,31H,14-17H2,(H,26,29)(H,27,30)(H2,25,32,33)
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n/an/a 1.60E+4n/an/an/an/an/an/a



UiT - The Arctic University of Norway

Curated by ChEMBL


Assay Description
Inhibition of Pseudomonas aeruginosa pseudolysin using Abz-Ala-Gly-Leu-Ala-p-nitrobenzylamide as substrate after 15 mins

Eur J Med Chem 89: 340-8 (2015)


Article DOI: 10.1016/j.ejmech.2014.10.009
BindingDB Entry DOI: 10.7270/Q21Z47DC
More data for this
Ligand-Target Pair
Elastase


(Pseudomonas aeruginosa)		BDBM50590265
PNG
(CHEMBL1330520)
Show SMILES NC(=O)SCC(=O)Nc1ccc(Cl)cc1
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TBA



Citation and Details

Article DOI: 10.1039/d1md00187f
BindingDB Entry DOI: 10.7270/Q2N01BG9
More data for this
Ligand-Target Pair
Elastase


(Pseudomonas aeruginosa)		BDBM50542687
PNG
(CHEMBL4646205)
Show SMILES SC1CC(=O)N(C1=O)c1c(Cl)cccc1Cl
Show InChI InChI=1S/C10H7Cl2NO2S/c11-5-2-1-3-6(12)9(5)13-8(14)4-7(16)10(13)15/h1-3,7,16H,4H2
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n/an/a 1.60E+4n/an/an/an/an/an/a



Helmholtz Institute for Pharmaceutical Research Saarland (HIPS) - Helmholtz Centre for Infection Research (HZI)

Curated by ChEMBL


Assay Description
Inhibition of Pseudomonas aeruginosa PA14 LasB using 2-Aminobenzoyl-AlaGly-Leu-Ala-4-Nitrobenzylamide as fluorogenic substrate preincubated for 15 mi...

J Med Chem 63: 8359-8368 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00584
BindingDB Entry DOI: 10.7270/Q20005N6
More data for this
Ligand-Target Pair
Elastase


(Pseudomonas aeruginosa)		BDBM50138797
PNG
(CHEMBL3752374)
Show SMILES ONC(=O)[C@@H](CCN1C(=O)c2ccccc2C1=O)NC(=O)c1ccc(Oc2ccccc2)cc1 |r|
Show InChI InChI=1S/C25H21N3O6/c29-22(16-10-12-18(13-11-16)34-17-6-2-1-3-7-17)26-21(23(30)27-33)14-15-28-24(31)19-8-4-5-9-20(19)25(28)32/h1-13,21,33H,14-15H2,(H,26,29)(H,27,30)/t21-/m1/s1
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n/an/a 1.60E+4n/an/an/an/an/an/a



UiT The Arctic University of Norway

Curated by ChEMBL


Assay Description
Inhibition of Bacillus thermoproteolyticus pseudolysin pretreated with compound for 15 mins followed by the addition of Abz-Ala-Gly-leu-Ala-p-nitrobe...

Eur J Med Chem 108: 141-53 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.019
BindingDB Entry DOI: 10.7270/Q2HT2R63
More data for this
Ligand-Target Pair
Elastase


(Pseudomonas aeruginosa)		BDBM50485655
PNG
(CHEMBL2146994)
Show SMILES ONC(=O)Cc1cccc(F)c1
Show InChI InChI=1S/C8H8FNO2/c9-7-3-1-2-6(4-7)5-8(11)10-12/h1-4,12H,5H2,(H,10,11)
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n/an/a 1.64E+4n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at Pseudomonas aeruginosa LasB using Abz-Ala-Gly-Leu-Ala-p-Nitro-Benzyl-Amide as substrate incubated for 30 mins prior to substra...

ACS Med Chem Lett 3: 668-672 (2012)


Article DOI: 10.1021/ml300128f
BindingDB Entry DOI: 10.7270/Q2BG2RVM
More data for this
Ligand-Target Pair
Elastase


(Pseudomonas aeruginosa)		BDBM50542685
PNG
(CHEMBL4637591)
Show SMILES SC1CC(=O)N(C1=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C10H8ClNO2S/c11-6-1-3-7(4-2-6)12-9(13)5-8(15)10(12)14/h1-4,8,15H,5H2
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n/an/a 1.65E+4n/an/an/an/an/an/a



Helmholtz Institute for Pharmaceutical Research Saarland (HIPS) - Helmholtz Centre for Infection Research (HZI)

Curated by ChEMBL


Assay Description
Inhibition of Pseudomonas aeruginosa PA14 LasB using 2-Aminobenzoyl-AlaGly-Leu-Ala-4-Nitrobenzylamide as fluorogenic substrate preincubated for 15 mi...

J Med Chem 63: 8359-8368 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00584
BindingDB Entry DOI: 10.7270/Q20005N6
More data for this
Ligand-Target Pair
Elastase


(Pseudomonas aeruginosa)		BDBM50299053
PNG
(CHEMBL573714 | N-Hydroxy-2-(2-(4-methoxyphenylsulf...)
Show SMILES COc1ccc(cc1)S(=O)(=O)c1ccccc1CC(=O)NO
Show InChI InChI=1S/C15H15NO5S/c1-21-12-6-8-13(9-7-12)22(19,20)14-5-3-2-4-11(14)10-15(17)16-18/h2-9,18H,10H2,1H3,(H,16,17)
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n/an/a 1.70E+4n/an/an/an/an/an/a



UiT The Arctic University of Norway

Curated by ChEMBL


Assay Description
Inhibition of Bacillus thermoproteolyticus pseudolysin pretreated with compound for 15 mins followed by the addition of Abz-Ala-Gly-leu-Ala-p-nitrobe...

Eur J Med Chem 108: 141-53 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.019
BindingDB Entry DOI: 10.7270/Q2HT2R63
More data for this
Ligand-Target Pair
Elastase


(Pseudomonas aeruginosa)		BDBM50590259
PNG
(CHEMBL5197727)
Show SMILES Cc1ccc(NC(=O)CS)cc1
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n/an/a 1.90E+4n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1039/d1md00187f
BindingDB Entry DOI: 10.7270/Q2N01BG9
More data for this
Ligand-Target Pair
Elastase


(Pseudomonas aeruginosa)		BDBM50303400
PNG
(CHEMBL577546 | S-2-(3-chlorophenylamino)-2-oxoethy...)
Show SMILES NC(=O)SCC(=O)Nc1cccc(Cl)c1
Show InChI InChI=1S/C9H9ClN2O2S/c10-6-2-1-3-7(4-6)12-8(13)5-15-9(11)14/h1-4H,5H2,(H2,11,14)(H,12,13)
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n/an/a 1.90E+4n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1039/d1md00187f
BindingDB Entry DOI: 10.7270/Q2N01BG9
More data for this
Ligand-Target Pair
Elastase


(Pseudomonas aeruginosa)		BDBM50497677
PNG
(CHEMBL3361129)
Show SMILES ONC(=O)CN(CC(O)=O)Cc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C11H13N3O6/c15-10(12-18)6-13(7-11(16)17)5-8-1-3-9(4-2-8)14(19)20/h1-4,18H,5-7H2,(H,12,15)(H,16,17)
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n/an/a 2.00E+4n/an/an/an/an/an/a



UiT - The Arctic University of Norway

Curated by ChEMBL


Assay Description
Inhibition of Pseudomonas aeruginosa pseudolysin using Abz-Ala-Gly-Leu-Ala-p-nitrobenzylamide as substrate after 15 mins

Eur J Med Chem 89: 340-8 (2015)


Article DOI: 10.1016/j.ejmech.2014.10.009
BindingDB Entry DOI: 10.7270/Q21Z47DC
More data for this
Ligand-Target Pair
Elastase


(Pseudomonas aeruginosa)		BDBM50590256
PNG
(CHEMBL5176746)
Show SMILES SCC(=O)Nc1ccc(Cl)cc1
PDB
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n/an/a 2.10E+4n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1039/d1md00187f
BindingDB Entry DOI: 10.7270/Q2N01BG9
More data for this
Ligand-Target Pair
Elastase


(Pseudomonas aeruginosa)		BDBM50542697
PNG
(CHEMBL4634214)
Show SMILES [O-][N+](=O)c1cccc(c1)N1C(=O)CC(S)C1=O
Show InChI InChI=1S/C10H8N2O4S/c13-9-5-8(17)10(14)11(9)6-2-1-3-7(4-6)12(15)16/h1-4,8,17H,5H2
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n/an/a 2.22E+4n/an/an/an/an/an/a



Helmholtz Institute for Pharmaceutical Research Saarland (HIPS) - Helmholtz Centre for Infection Research (HZI)

Curated by ChEMBL


Assay Description
Inhibition of Pseudomonas aeruginosa PA14 LasB using 2-Aminobenzoyl-AlaGly-Leu-Ala-4-Nitrobenzylamide as fluorogenic substrate preincubated for 15 mi...

J Med Chem 63: 8359-8368 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00584
BindingDB Entry DOI: 10.7270/Q20005N6
More data for this
Ligand-Target Pair
Elastase


(Pseudomonas aeruginosa)		BDBM50590260
PNG
(CHEMBL5189927)
Show SMILES COc1ccc(NC(=O)CS)cc1
PDB
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n/an/a 2.40E+4n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1039/d1md00187f
BindingDB Entry DOI: 10.7270/Q2N01BG9
More data for this
Ligand-Target Pair
Elastase


(Pseudomonas aeruginosa)		BDBM50542699
PNG
(CHEMBL4649524)
Show SMILES SC1CC(=O)N(C1=O)c1cccc(c1)-c1ccccc1
Show InChI InChI=1S/C16H13NO2S/c18-15-10-14(20)16(19)17(15)13-8-4-7-12(9-13)11-5-2-1-3-6-11/h1-9,14,20H,10H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.76E+4n/an/an/an/an/an/a



Helmholtz Institute for Pharmaceutical Research Saarland (HIPS) - Helmholtz Centre for Infection Research (HZI)

Curated by ChEMBL


Assay Description
Inhibition of Pseudomonas aeruginosa PA14 LasB using 2-Aminobenzoyl-AlaGly-Leu-Ala-4-Nitrobenzylamide as fluorogenic substrate preincubated for 15 mi...

J Med Chem 63: 8359-8368 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00584
BindingDB Entry DOI: 10.7270/Q20005N6
More data for this
Ligand-Target Pair
Elastase


(Pseudomonas aeruginosa)		BDBM50542691
PNG
(CHEMBL4642932)
Show SMILES COc1ccccc1N1C(=O)CC(S)C1=O
Show InChI InChI=1S/C11H11NO3S/c1-15-8-5-3-2-4-7(8)12-10(13)6-9(16)11(12)14/h2-5,9,16H,6H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.89E+4n/an/an/an/an/an/a



Helmholtz Institute for Pharmaceutical Research Saarland (HIPS) - Helmholtz Centre for Infection Research (HZI)

Curated by ChEMBL


Assay Description
Inhibition of Pseudomonas aeruginosa PA14 LasB using 2-Aminobenzoyl-AlaGly-Leu-Ala-4-Nitrobenzylamide as fluorogenic substrate preincubated for 15 mi...

J Med Chem 63: 8359-8368 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00584
BindingDB Entry DOI: 10.7270/Q20005N6
More data for this
Ligand-Target Pair
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