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Compile Data Set for Download or QSAR

Found 42 hits with Last Name = 'berger' and Initial = 'fk'   
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
Elastase


(Pseudomonas aeruginosa)
BDBM50542712
PNG
(CHEMBL4647152)
Show SMILES NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CS |r|
Show InChI InChI=1S/C22H24N4O4S/c23-21(29)18(9-13-5-7-15(27)8-6-13)26-22(30)19(25-20(28)12-31)10-14-11-24-17-4-2-1-3-16(14)17/h1-8,11,18-19,24,27,31H,9-10,12H2,(H2,23,29)(H,25,28)(H,26,30)/t18-,19-/m0/s1
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41n/an/an/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 LasB using aminobenzoyl-Ala-Gly-Leu-Ala-p-nitro-benzyl-amide as fluorogenic substrate by fluorimetric assay


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
Collagenase ColH


(Hathewaya histolytica)
BDBM50542711
PNG
(CHEMBL4640494)
Show SMILES CC(=O)c1ccc(NC(=O)CS)cc1
Show InChI InChI=1S/C10H11NO2S/c1-7(12)8-2-4-9(5-3-8)11-10(13)6-14/h2-5,14H,6H2,1H3,(H,11,13)
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n/an/a 17n/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 Clostridium histolyticum ColH peptidase domain expressed in Escherichia coli BL21(DE3) cells using Mca-Ala-Gly-Pro-Pro-Gly-Pro-Dpa-Gly-...


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)
Collagenase ColH


(Hathewaya histolytica)
BDBM50542698
PNG
(CHEMBL4636059)
Show SMILES CC(=O)c1ccc(cc1)N1C(=O)CC(S)C1=O
Show InChI InChI=1S/C12H11NO3S/c1-7(14)8-2-4-9(5-3-8)13-11(15)6-10(17)12(13)16/h2-5,10,17H,6H2,1H3
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n/an/a 60n/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 Clostridium histolyticum ColH peptidase domain expressed in Escherichia coli BL21(DE3) cells using Mca-Ala-Gly-Pro-Pro-Gly-Pro-Dpa-Gly-...


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
Collagenase ColH


(Hathewaya histolytica)
BDBM50542693
PNG
(CHEMBL4637937)
Show SMILES COc1ccc(cc1)N1C(=O)CC(S)C1=O
Show InChI InChI=1S/C11H11NO3S/c1-15-8-4-2-7(3-5-8)12-10(13)6-9(16)11(12)14/h2-5,9,16H,6H2,1H3
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n/an/a 320n/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 Clostridium histolyticum ColH peptidase domain expressed in Escherichia coli BL21(DE3) cells using Mca-Ala-Gly-Pro-Pro-Gly-Pro-Dpa-Gly-...


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
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))
BDBM50542698
PNG
(CHEMBL4636059)
Show SMILES CC(=O)c1ccc(cc1)N1C(=O)CC(S)C1=O
Show InChI InChI=1S/C12H11NO3S/c1-7(14)8-2-4-9(5-3-8)13-11(15)6-10(17)12(13)16/h2-5,10,17H,6H2,1H3
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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 recombinant human TACE1 expressed in insect cells using FRET-tagged substrate by FRET assay


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)
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
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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
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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
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))
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
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n/an/a 5.20E+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 recombinant human TACE1 expressed in insect cells using FRET-tagged substrate by FRET assay


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)
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)
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)
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)
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)
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)
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)
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)
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)
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
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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
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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
Elastase


(Pseudomonas aeruginosa)
BDBM50542682
PNG
(CHEMBL4643055)
Show SMILES Cc1ccc(cc1C)N1C(=O)CC(S)C1=O
Show InChI InChI=1S/C12H13NO2S/c1-7-3-4-9(5-8(7)2)13-11(14)6-10(16)12(13)15/h3-5,10,16H,6H2,1-2H3
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n/an/a 2.94E+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)
BDBM50542690
PNG
(CHEMBL4644474)
Show SMILES Cc1ccc(Cl)c(C)c1N1C(=O)CC(S)C1=O
Show InChI InChI=1S/C12H12ClNO2S/c1-6-3-4-8(13)7(2)11(6)14-10(15)5-9(17)12(14)16/h3-4,9,17H,5H2,1-2H3
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n/an/a 3.05E+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)
BDBM50542692
PNG
(CHEMBL4632814)
Show SMILES COc1cccc(c1)N1C(=O)CC(S)C1=O
Show InChI InChI=1S/C11H11NO3S/c1-15-8-4-2-3-7(5-8)12-10(13)6-9(16)11(12)14/h2-5,9,16H,6H2,1H3
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n/an/a 4.02E+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)
BDBM50542680
PNG
(CHEMBL4634578)
Show SMILES SC1CC(=O)N(C1=O)c1ccccc1
Show InChI InChI=1S/C10H9NO2S/c12-9-6-8(14)10(13)11(9)7-4-2-1-3-5-7/h1-5,8,14H,6H2
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n/an/a 4.42E+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)
BDBM50542700
PNG
(CHEMBL4649645)
Show SMILES SC1CC(=O)N(C1=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C16H13NO2S/c18-15-10-14(20)16(19)17(15)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-9,14,20H,10H2
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n/an/a 4.46E+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)
BDBM50542694
PNG
(CHEMBL4633677)
Show SMILES COc1ccc(N2C(=O)CC(S)C2=O)c(OC)c1
Show InChI InChI=1S/C12H13NO4S/c1-16-7-3-4-8(9(5-7)17-2)13-11(14)6-10(18)12(13)15/h3-5,10,18H,6H2,1-2H3
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n/an/a 4.50E+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)
BDBM50542681
PNG
(CHEMBL4641113)
Show SMILES Cc1ccc(cc1)N1C(=O)CC(S)C1=O
Show InChI InChI=1S/C11H11NO2S/c1-7-2-4-8(5-3-7)12-10(13)6-9(15)11(12)14/h2-5,9,15H,6H2,1H3
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n/an/a 5.06E+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)
BDBM50542696
PNG
(CHEMBL4645866)
Show SMILES FC(F)(F)Oc1ccc(cc1Cl)N1C(=O)CC(S)C1=O
Show InChI InChI=1S/C11H7ClF3NO3S/c12-6-3-5(1-2-7(6)19-11(13,14)15)16-9(17)4-8(20)10(16)18/h1-3,8,20H,4H2
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n/an/a 5.52E+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)
BDBM50542698
PNG
(CHEMBL4636059)
Show SMILES CC(=O)c1ccc(cc1)N1C(=O)CC(S)C1=O
Show InChI InChI=1S/C12H11NO3S/c1-7(14)8-2-4-9(5-3-8)13-11(15)6-10(17)12(13)16/h2-5,10,17H,6H2,1H3
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n/an/a 6.40E+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
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50542698
PNG
(CHEMBL4636059)
Show SMILES CC(=O)c1ccc(cc1)N1C(=O)CC(S)C1=O
Show InChI InChI=1S/C12H11NO3S/c1-7(14)8-2-4-9(5-3-8)13-11(15)6-10(17)12(13)16/h2-5,10,17H,6H2,1H3
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Helmholtz Institute for Pharmaceutical Research Saarland (HIPS) - Helmholtz Centre for Infection Research (HZI)

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC8 expressed in baculovirus infected insect cells using R-H-K(Ac)-K(Ac)-AFC as substrate by fluorescence assay


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
Histone deacetylase 8


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

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC8 expressed in baculovirus infected insect cells using R-H-K(Ac)-K(Ac)-AFC as substrate by fluorescence assay


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
Histone deacetylase 3


(Homo sapiens (Human))
BDBM50542698
PNG
(CHEMBL4636059)
Show SMILES CC(=O)c1ccc(cc1)N1C(=O)CC(S)C1=O
Show InChI InChI=1S/C12H11NO3S/c1-7(14)8-2-4-9(5-3-8)13-11(15)6-10(17)12(13)16/h2-5,10,17H,6H2,1H3
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Helmholtz Institute for Pharmaceutical Research Saarland (HIPS) - Helmholtz Centre for Infection Research (HZI)

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC3 expressed in insect cells using R-H-K-K(Ac)-AFC as substrate by fluorescence assay


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
Histone deacetylase 3


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

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC3 expressed in insect cells using R-H-K-K(Ac)-AFC as substrate by fluorescence assay


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)
BDBM50542693
PNG
(CHEMBL4637937)
Show SMILES COc1ccc(cc1)N1C(=O)CC(S)C1=O
Show InChI InChI=1S/C11H11NO3S/c1-15-8-4-2-7(3-5-8)12-10(13)6-9(16)11(12)14/h2-5,9,16H,6H2,1H3
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n/an/a 1.12E+5n/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)
BDBM50542695
PNG
(CHEMBL4632709)
Show SMILES COc1ccc(cc1OC)N1C(=O)CC(S)C1=O
Show InChI InChI=1S/C12H13NO4S/c1-16-8-4-3-7(5-9(8)17-2)13-11(14)6-10(18)12(13)15/h3-5,10,18H,6H2,1-2H3
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n/an/a 1.60E+5n/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)
BDBM50542701
PNG
(CHEMBL4639044)
Show SMILES COc1ccc(cc1)N1C(=O)CC(SC(C)=O)C1=O
Show InChI InChI=1S/C13H13NO4S/c1-8(15)19-11-7-12(16)14(13(11)17)9-3-5-10(18-2)6-4-9/h3-6,11H,7H2,1-2H3
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n/an/a>2.00E+5n/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)
BDBM50542706
PNG
(CHEMBL4644417)
Show SMILES CC(=O)SCC1CC(=O)N(C1=O)c1ccc(cc1)C(C)=O
Show InChI InChI=1S/C15H15NO4S/c1-9(17)11-3-5-13(6-4-11)16-14(19)7-12(15(16)20)8-21-10(2)18/h3-6,12H,7-8H2,1-2H3
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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)
BDBM50542703
PNG
(CHEMBL4637005)
Show SMILES CC(=O)SC1CC(=O)N(C1=O)c1ccc(OC(F)(F)F)c(Cl)c1
Show InChI InChI=1S/C13H9ClF3NO4S/c1-6(19)23-10-5-11(20)18(12(10)21)7-2-3-9(8(14)4-7)22-13(15,16)17/h2-4,10H,5H2,1H3
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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)
BDBM50542704
PNG
(CHEMBL4648151)
Show SMILES CC(=O)SCC1CC(=O)N(C1=O)c1ccccc1
Show InChI InChI=1S/C13H13NO3S/c1-9(15)18-8-10-7-12(16)14(13(10)17)11-5-3-2-4-6-11/h2-6,10H,7-8H2,1H3
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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)
BDBM50542710
PNG
(CHEMBL4637321)
Show SMILES CC(=O)c1ccc(cc1)N1C(=O)CC(CS)C1=O
Show InChI InChI=1S/C13H13NO3S/c1-8(15)9-2-4-11(5-3-9)14-12(16)6-10(7-18)13(14)17/h2-5,10,18H,6-7H2,1H3
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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)
BDBM50542705
PNG
(CHEMBL4638365)
Show SMILES CC(=O)SCC1CC(=O)N(C1=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C13H11Cl2NO3S/c1-7(17)20-6-8-4-12(18)16(13(8)19)9-2-3-10(14)11(15)5-9/h2-3,5,8H,4,6H2,1H3
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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)
BDBM50542707
PNG
(CHEMBL4641280)
Show SMILES COc1ccc(cc1)N1C(=O)CC(CSC(C)=O)C1=O
Show InChI InChI=1S/C14H15NO4S/c1-9(16)20-8-10-7-13(17)15(14(10)18)11-3-5-12(19-2)6-4-11/h3-6,10H,7-8H2,1-2H3
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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)
BDBM50542702
PNG
(CHEMBL4633603)
Show SMILES CC(=O)SC1CC(=O)N(C1=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C12H9Cl2NO3S/c1-6(16)19-10-5-11(17)15(12(10)18)7-2-3-8(13)9(14)4-7/h2-4,10H,5H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>2.00E+5n/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