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Compile Data Set for Download or QSAR

Found 80 hits with Last Name = 'adekoya' and Initial = 'oa'   
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
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50161330
PNG
((R)-2-[(Biphenyl-4-sulfonyl)-isopropoxy-amino]-N-h...)
Show SMILES CC(C)ON([C@H](C(C)C)C(=O)NO)S(=O)(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C20H26N2O5S/c1-14(2)19(20(23)21-24)22(27-15(3)4)28(25,26)18-12-10-17(11-13-18)16-8-6-5-7-9-16/h5-15,19,24H,1-4H3,(H,21,23)/t19-/m1/s1
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n/an/a 0.800n/an/an/an/an/an/a



UiT The Arctic University of Norway

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MMP2 after 2 hrs using FS-6 as substrate by fluorometry


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
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50138800
PNG
(CHEMBL3754094)
Show SMILES CC(C)CN([C@H](C(C)C)C(=O)NO)S(=O)(=O)c1ccc(cc1)-c1ccccc1 |r|
Show InChI InChI=1S/C21H28N2O4S/c1-15(2)14-23(20(16(3)4)21(24)22-25)28(26,27)19-12-10-18(11-13-19)17-8-6-5-7-9-17/h5-13,15-16,20,25H,14H2,1-4H3,(H,22,24)/t20-/m1/s1
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n/an/a 3n/an/an/an/an/an/a



UiT The Arctic University of Norway

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MMP2 after 2 hrs using FS-6 as substrate by fluorometry


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
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50138800
PNG
(CHEMBL3754094)
Show SMILES CC(C)CN([C@H](C(C)C)C(=O)NO)S(=O)(=O)c1ccc(cc1)-c1ccccc1 |r|
Show InChI InChI=1S/C21H28N2O4S/c1-15(2)14-23(20(16(3)4)21(24)22-25)28(26,27)19-12-10-18(11-13-19)17-8-6-5-7-9-17/h5-13,15-16,20,25H,14H2,1-4H3,(H,22,24)/t20-/m1/s1
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n/an/a 5.30n/an/an/an/an/an/a



UiT The Arctic University of Norway

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MMP9 after 2 hrs using FS-6 as substrate by fluorometry


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
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50161330
PNG
((R)-2-[(Biphenyl-4-sulfonyl)-isopropoxy-amino]-N-h...)
Show SMILES CC(C)ON([C@H](C(C)C)C(=O)NO)S(=O)(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C20H26N2O5S/c1-14(2)19(20(23)21-24)22(27-15(3)4)28(25,26)18-12-10-17(11-13-18)16-8-6-5-7-9-16/h5-15,19,24H,1-4H3,(H,21,23)/t19-/m1/s1
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n/an/a 6.70n/an/an/an/an/an/a



UiT The Arctic University of Norway

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MMP9 after 2 hrs using FS-6 as substrate by fluorometry


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
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50314228
PNG
((R)-N-hydroxy-2-(N-isobutyl-4-methoxyphenylsulfona...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)[C@H](C(C)C)C(=O)NO |r|
Show InChI InChI=1S/C16H26N2O5S/c1-11(2)10-18(15(12(3)4)16(19)17-20)24(21,22)14-8-6-13(23-5)7-9-14/h6-9,11-12,15,20H,10H2,1-5H3,(H,17,19)/t15-/m1/s1
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n/an/a 7.20n/an/an/an/an/an/a



UiT The Arctic University of Norway

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MMP9 after 2 hrs using FS-6 as substrate by fluorometry


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
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50314228
PNG
((R)-N-hydroxy-2-(N-isobutyl-4-methoxyphenylsulfona...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)[C@H](C(C)C)C(=O)NO |r|
Show InChI InChI=1S/C16H26N2O5S/c1-11(2)10-18(15(12(3)4)16(19)17-20)24(21,22)14-8-6-13(23-5)7-9-14/h6-9,11-12,15,20H,10H2,1-5H3,(H,17,19)/t15-/m1/s1
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n/an/a 29n/an/an/an/an/an/a



UiT The Arctic University of Norway

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MMP2 after 2 hrs using FS-6 as substrate by fluorometry


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
Matrix metalloproteinase-9


(Homo sapiens (Human))
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 98n/an/an/an/an/an/a



UiT The Arctic University of Norway

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MMP9 after 2 hrs using FS-6 as substrate by fluorometry


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
72 kDa type IV collagenase


(Homo sapiens (Human))
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 230n/an/an/an/an/an/a



UiT The Arctic University of Norway

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MMP2 after 2 hrs using FS-6 as substrate by fluorometry


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)
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)
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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
72 kDa type IV collagenase


(Homo sapiens (Human))
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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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 recombinant human MMP2 after 2 hrs using FS-6 as substrate by fluorometry


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
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))
BDBM50314228
PNG
((R)-N-hydroxy-2-(N-isobutyl-4-methoxyphenylsulfona...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)[C@H](C(C)C)C(=O)NO |r|
Show InChI InChI=1S/C16H26N2O5S/c1-11(2)10-18(15(12(3)4)16(19)17-20)24(21,22)14-8-6-13(23-5)7-9-14/h6-9,11-12,15,20H,10H2,1-5H3,(H,17,19)/t15-/m1/s1
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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 recombinant human ADAM17 after 30 mins using FS-6 as substrate by fluorometry


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 1.10E+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
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50138799
PNG
(CHEMBL3752513)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(=O)NO)OC12CC3CC(CC(C3)C1)C2 |TLB:25:20:27:24.23.26,25:24:27:21.20.19,THB:19:20:23:27.18.26,19:18:21.20.25:23,17:18:21.20.25:23|
Show InChI InChI=1S/C19H26N2O6S/c1-26-16-2-4-17(5-3-16)28(24,25)21(12-18(22)20-23)27-19-9-13-6-14(10-19)8-15(7-13)11-19/h2-5,13-15,23H,6-12H2,1H3,(H,20,22)
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n/an/a 2.00E+3n/an/an/an/an/an/a



UiT The Arctic University of Norway

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MMP9 after 2 hrs using FS-6 as substrate by fluorometry


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
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50138799
PNG
(CHEMBL3752513)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(=O)NO)OC12CC3CC(CC(C3)C1)C2 |TLB:25:20:27:24.23.26,25:24:27:21.20.19,THB:19:20:23:27.18.26,19:18:21.20.25:23,17:18:21.20.25:23|
Show InChI InChI=1S/C19H26N2O6S/c1-26-16-2-4-17(5-3-16)28(24,25)21(12-18(22)20-23)27-19-9-13-6-14(10-19)8-15(7-13)11-19/h2-5,13-15,23H,6-12H2,1H3,(H,20,22)
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n/an/a 2.00E+3n/an/an/an/an/an/a



UiT The Arctic University of Norway

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MMP2 after 2 hrs using FS-6 as substrate by fluorometry


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
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50138801
PNG
(CHEMBL3753984)
Show SMILES ONC(=O)CCNS(=O)(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C15H16N2O4S/c18-15(17-19)10-11-16-22(20,21)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9,16,19H,10-11H2,(H,17,18)
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n/an/a 2.40E+3n/an/an/an/an/an/a



UiT The Arctic University of Norway

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MMP2 after 2 hrs using FS-6 as substrate by fluorometry


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)
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)
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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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
Matrix metalloproteinase-9


(Homo sapiens (Human))
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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n/an/a 6.20E+3n/an/an/an/an/an/a



UiT The Arctic University of Norway

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MMP9 after 2 hrs using FS-6 as substrate by fluorometry


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)
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)
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
Matrix metalloproteinase-9


(Homo sapiens (Human))
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 8.20E+3n/an/an/an/an/an/a



UiT The Arctic University of Norway

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MMP9 after 2 hrs using FS-6 as substrate by fluorometry


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
72 kDa type IV collagenase


(Homo sapiens (Human))
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 9.00E+3n/an/an/an/an/an/a



UiT The Arctic University of Norway

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MMP2 after 2 hrs using FS-6 as substrate by fluorometry


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
Thermolysin


(Bacillus thermoproteolyticus)
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 9.50E+3n/an/an/an/an/an/a



UiT The Arctic University of Norway

Curated by ChEMBL


Assay Description
Inhibition of Bacillus thermoproteolyticus thermolysin pretreated with compound for 1 hr followed by the addition of 3.33 uM bradykinin like substrat...


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
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))
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 9.50E+3n/an/an/an/an/an/a



UiT The Arctic University of Norway

Curated by ChEMBL


Assay Description
Inhibition of recombinant human ADAM17 after 30 mins using FS-6 as substrate by fluorometry


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
Matrix metalloproteinase-9


(Homo sapiens (Human))
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>1.00E+4n/an/an/an/an/an/a



UiT The Arctic University of Norway

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MMP9 after 2 hrs using FS-6 as substrate by fluorometry


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
72 kDa type IV collagenase


(Homo sapiens (Human))
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>1.00E+4n/an/an/an/an/an/a



UiT The Arctic University of Norway

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MMP2 after 2 hrs using FS-6 as substrate by fluorometry


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
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))
BDBM50161330
PNG
((R)-2-[(Biphenyl-4-sulfonyl)-isopropoxy-amino]-N-h...)
Show SMILES CC(C)ON([C@H](C(C)C)C(=O)NO)S(=O)(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C20H26N2O5S/c1-14(2)19(20(23)21-24)22(27-15(3)4)28(25,26)18-12-10-17(11-13-18)16-8-6-5-7-9-16/h5-15,19,24H,1-4H3,(H,21,23)/t19-/m1/s1
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n/an/a 1.40E+4n/an/an/an/an/an/a



UiT The Arctic University of Norway

Curated by ChEMBL


Assay Description
Inhibition of recombinant human ADAM17 after 30 mins using FS-6 as substrate by fluorometry


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)
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)
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)
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)
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
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50138801
PNG
(CHEMBL3753984)
Show SMILES ONC(=O)CCNS(=O)(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C15H16N2O4S/c18-15(17-19)10-11-16-22(20,21)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9,16,19H,10-11H2,(H,17,18)
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n/an/a 2.60E+4n/an/an/an/an/an/a



UiT The Arctic University of Norway

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MMP9 after 2 hrs using FS-6 as substrate by fluorometry


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
Thermolysin


(Bacillus thermoproteolyticus)
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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n/an/a 2.90E+4n/an/an/an/an/an/a



UiT The Arctic University of Norway

Curated by ChEMBL


Assay Description
Inhibition of Bacillus thermoproteolyticus thermolysin pretreated with compound for 1 hr followed by the addition of 3.33 uM bradykinin like substrat...


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)
BDBM50138800
PNG
(CHEMBL3754094)
Show SMILES CC(C)CN([C@H](C(C)C)C(=O)NO)S(=O)(=O)c1ccc(cc1)-c1ccccc1 |r|
Show InChI InChI=1S/C21H28N2O4S/c1-15(2)14-23(20(16(3)4)21(24)22-25)28(26,27)19-12-10-18(11-13-19)17-8-6-5-7-9-17/h5-13,15-16,20,25H,14H2,1-4H3,(H,22,24)/t20-/m1/s1
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n/an/a 2.90E+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
Thermolysin


(Bacillus thermoproteolyticus)
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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n/an/a 2.90E+4n/an/an/an/an/an/a



UiT The Arctic University of Norway

Curated by ChEMBL


Assay Description
Inhibition of Bacillus thermoproteolyticus thermolysin pretreated with compound for 15 mins followed by the addition of 75 uM Abz-Ala-Gly-leu-Ala-p-n...


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)
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 2.90E+4n/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
Thermolysin


(Bacillus thermoproteolyticus)
BDBM50138801
PNG
(CHEMBL3753984)
Show SMILES ONC(=O)CCNS(=O)(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C15H16N2O4S/c18-15(17-19)10-11-16-22(20,21)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9,16,19H,10-11H2,(H,17,18)
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n/an/a 3.00E+4n/an/an/an/an/an/a



UiT The Arctic University of Norway

Curated by ChEMBL


Assay Description
Inhibition of Bacillus thermoproteolyticus thermolysin pretreated with compound for 1 hr followed by the addition of 3.33 uM bradykinin like substrat...


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)
BDBM50138801
PNG
(CHEMBL3753984)
Show SMILES ONC(=O)CCNS(=O)(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C15H16N2O4S/c18-15(17-19)10-11-16-22(20,21)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9,16,19H,10-11H2,(H,17,18)
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n/an/a 3.00E+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
Thermolysin


(Bacillus thermoproteolyticus)
BDBM50138801
PNG
(CHEMBL3753984)
Show SMILES ONC(=O)CCNS(=O)(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C15H16N2O4S/c18-15(17-19)10-11-16-22(20,21)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9,16,19H,10-11H2,(H,17,18)
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n/an/a 3.00E+4n/an/an/an/an/an/a



UiT The Arctic University of Norway

Curated by ChEMBL


Assay Description
Inhibition of Bacillus thermoproteolyticus thermolysin pretreated with compound for 15 mins followed by the addition of 75 uM Abz-Ala-Gly-leu-Ala-p-n...


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)
BDBM50241253
PNG
(2-[(biphenyl-4-sulfonyl)-hydroxycarbamoylmethyl-am...)
Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)CN(CC(=O)NO)S(=O)(=O)c2ccc(cc2)-c2ccccc2)cc1
Show InChI InChI=1S/C24H26N4O7S2/c25-36(32,33)21-10-6-18(7-11-21)14-15-26-23(29)16-28(17-24(30)27-31)37(34,35)22-12-8-20(9-13-22)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 3.10E+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)
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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n/an/a 3.10E+4n/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)
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 3.30E+4n/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
72 kDa type IV collagenase


(Homo sapiens (Human))
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 3.40E+4n/an/an/an/an/an/a



UiT The Arctic University of Norway

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MMP2 after 2 hrs using FS-6 as substrate by fluorometry


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)
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 3.80E+4n/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)
BDBM50246601
PNG
(2-(N-(2-(hydroxyamino)-2-oxoethyl)-4-phenoxyphenyl...)
Show SMILES ONC(=O)CN(CC(O)=O)S(=O)(=O)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C16H16N2O7S/c19-15(17-22)10-18(11-16(20)21)26(23,24)14-8-6-13(7-9-14)25-12-4-2-1-3-5-12/h1-9,22H,10-11H2,(H,17,19)(H,20,21)
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n/an/a 4.60E+4n/an/an/an/an/an/a



UiT - The Arctic University of Norway

Curated by ChEMBL


Assay Description
Inhibition of Pseudomonas aeruginosa pseudolysin using 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)
BDBM50138799
PNG
(CHEMBL3752513)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(=O)NO)OC12CC3CC(CC(C3)C1)C2 |TLB:25:20:27:24.23.26,25:24:27:21.20.19,THB:19:20:23:27.18.26,19:18:21.20.25:23,17:18:21.20.25:23|
Show InChI InChI=1S/C19H26N2O6S/c1-26-16-2-4-17(5-3-16)28(24,25)21(12-18(22)20-23)27-19-9-13-6-14(10-19)8-15(7-13)11-19/h2-5,13-15,23H,6-12H2,1H3,(H,20,22)
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n/an/a 5.10E+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)
BDBM50161330
PNG
((R)-2-[(Biphenyl-4-sulfonyl)-isopropoxy-amino]-N-h...)
Show SMILES CC(C)ON([C@H](C(C)C)C(=O)NO)S(=O)(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C20H26N2O5S/c1-14(2)19(20(23)21-24)22(27-15(3)4)28(25,26)18-12-10-17(11-13-18)16-8-6-5-7-9-16/h5-15,19,24H,1-4H3,(H,21,23)/t19-/m1/s1
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n/an/a 5.70E+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
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))
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 6.70E+4n/an/an/an/an/an/a



UiT The Arctic University of Norway

Curated by ChEMBL


Assay Description
Inhibition of recombinant human ADAM17 after 30 mins using FS-6 as substrate by fluorometry


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
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