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Compile Data Set for Download or QSAR

Found 35 hits with Last Name = 'fullagar' and Initial = 'jl'   
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
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50236983
PNG
(2-Hydroxy-cyclohepta-2,4,6-trienone | 2-hydroxycyc...)
Show SMILES Oc1cccccc1=O
Show InChI InChI=1S/C7H6O2/c8-6-4-2-1-3-5-7(6)9/h1-5H,(H,8,9)
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n/an/a 400n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase after 10 mins


J Med Chem 54: 591-602 (2011)


Article DOI: 10.1021/jm101266s
BindingDB Entry DOI: 10.7270/Q2154HBV
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
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50335802
PNG
(4-Fluoro-N-(8-hydroxyquinolin-7-yl)benzenesulfonam...)
Show SMILES Oc1c(NS(=O)(=O)c2ccc(F)cc2)ccc2cccnc12
Show InChI InChI=1S/C15H11FN2O3S/c16-11-4-6-12(7-5-11)22(20,21)18-13-8-3-10-2-1-9-17-14(10)15(13)19/h1-9,18-19H
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n/an/a 3.00E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP2 after 30 mins


J Med Chem 54: 591-602 (2011)


Article DOI: 10.1021/jm101266s
BindingDB Entry DOI: 10.7270/Q2154HBV
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)
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
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50335803
PNG
(3-hydroxy-2-methyl-4H-pyran-4-thione | CHEMBL16506...)
Show SMILES Cc1occc(=S)c1O
Show InChI InChI=1S/C6H6O2S/c1-4-6(7)5(9)2-3-8-4/h2-3,7H,1H3
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n/an/a 3.80E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase after 10 mins


J Med Chem 54: 591-602 (2011)


Article DOI: 10.1021/jm101266s
BindingDB Entry DOI: 10.7270/Q2154HBV
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50335813
PNG
(CHEMBL1650642 | N-(8-Hydroxyquinolin-7-yl)-[1,1-bi...)
Show SMILES Oc1c(NS(=O)(=O)c2ccc(cc2)-c2ccccc2)ccc2cccnc12
Show InChI InChI=1S/C21H16N2O3S/c24-21-19(13-10-17-7-4-14-22-20(17)21)23-27(25,26)18-11-8-16(9-12-18)15-5-2-1-3-6-15/h1-14,23-24H
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n/an/a 3.90E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP2 after 30 mins


J Med Chem 54: 591-602 (2011)


Article DOI: 10.1021/jm101266s
BindingDB Entry DOI: 10.7270/Q2154HBV
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50335814
PNG
(CHEMBL1650643 | N-(8-Hydroxyquinolin-7-yl)thiophen...)
Show SMILES Oc1c(NS(=O)(=O)c2cccs2)ccc2cccnc12
Show InChI InChI=1S/C13H10N2O3S2/c16-13-10(6-5-9-3-1-7-14-12(9)13)15-20(17,18)11-4-2-8-19-11/h1-8,15-16H
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n/an/a 4.30E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP2 after 30 mins


J Med Chem 54: 591-602 (2011)


Article DOI: 10.1021/jm101266s
BindingDB Entry DOI: 10.7270/Q2154HBV
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
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50335807
PNG
(CHEMBL1650640 | N-(8-Hydroxyquinolin-7-yl)benzenes...)
Show SMILES Oc1c(NS(=O)(=O)c2ccccc2)ccc2cccnc12
Show InChI InChI=1S/C15H12N2O3S/c18-15-13(9-8-11-5-4-10-16-14(11)15)17-21(19,20)12-6-2-1-3-7-12/h1-10,17-18H
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n/an/a 5.60E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP2 after 30 mins


J Med Chem 54: 591-602 (2011)


Article DOI: 10.1021/jm101266s
BindingDB Entry DOI: 10.7270/Q2154HBV
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
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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
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50335805
PNG
(4-Fluoro-N-(8-hydroxyquinolin-5-yl)benzenesulfonam...)
Show SMILES Oc1ccc(NS(=O)(=O)c2ccc(F)cc2)c2cccnc12
Show InChI InChI=1S/C15H11FN2O3S/c16-10-3-5-11(6-4-10)22(20,21)18-13-7-8-14(19)15-12(13)2-1-9-17-15/h1-9,18-19H
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n/an/a 7.20E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP2 after 30 mins


J Med Chem 54: 591-602 (2011)


Article DOI: 10.1021/jm101266s
BindingDB Entry DOI: 10.7270/Q2154HBV
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50335812
PNG
(CHEMBL1650639 | N-(8-Hydroxyquinolin-5-yl)thiophen...)
Show SMILES Oc1ccc(NS(=O)(=O)c2cccs2)c2cccnc12
Show InChI InChI=1S/C13H10N2O3S2/c16-11-6-5-10(9-3-1-7-14-13(9)11)15-20(17,18)12-4-2-8-19-12/h1-8,15-16H
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n/an/a 8.40E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP2 after 30 mins


J Med Chem 54: 591-602 (2011)


Article DOI: 10.1021/jm101266s
BindingDB Entry DOI: 10.7270/Q2154HBV
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
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50335804
PNG
(CHEMBL1650636 | N-(8-Hydroxyquinolin-5-yl)benzenes...)
Show SMILES Oc1ccc(NS(=O)(=O)c2ccccc2)c2cccnc12
Show InChI InChI=1S/C15H12N2O3S/c18-14-9-8-13(12-7-4-10-16-15(12)14)17-21(19,20)11-5-2-1-3-6-11/h1-10,17-18H
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n/an/a 8.80E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP2 after 30 mins


J Med Chem 54: 591-602 (2011)


Article DOI: 10.1021/jm101266s
BindingDB Entry DOI: 10.7270/Q2154HBV
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50335801
PNG
(CHEMBL1650638 | N-(8-Hydroxyquinolin-5-yl)-[1,1'-b...)
Show SMILES Oc1ccc(NS(=O)(=O)c2ccc(cc2)-c2ccccc2)c2cccnc12
Show InChI InChI=1S/C21H16N2O3S/c24-20-13-12-19(18-7-4-14-22-21(18)20)23-27(25,26)17-10-8-16(9-11-17)15-5-2-1-3-6-15/h1-14,23-24H
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n/an/a 1.08E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP2 after 30 mins


J Med Chem 54: 591-602 (2011)


Article DOI: 10.1021/jm101266s
BindingDB Entry DOI: 10.7270/Q2154HBV
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50335803
PNG
(3-hydroxy-2-methyl-4H-pyran-4-thione | CHEMBL16506...)
Show SMILES Cc1occc(=S)c1O
Show InChI InChI=1S/C6H6O2S/c1-4-6(7)5(9)2-3-8-4/h2-3,7H,1H3
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n/an/a 1.10E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 5-lipoxygenase after 10 mins by fluorescence assay


J Med Chem 54: 591-602 (2011)


Article DOI: 10.1021/jm101266s
BindingDB Entry DOI: 10.7270/Q2154HBV
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)
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
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50335808
PNG
(2,5-Dihydroxybenzoate, VI | 2,5-dihydroxybenzoic a...)
Show SMILES OC(=O)c1cc(O)ccc1O
Show InChI InChI=1S/C7H6O4/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,8-9H,(H,10,11)
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n/an/a 7.50E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 5-lipoxygenase after 10 mins by fluorescence assay


J Med Chem 54: 591-602 (2011)


Article DOI: 10.1021/jm101266s
BindingDB Entry DOI: 10.7270/Q2154HBV
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50335806
PNG
(3-hydroxy-4H-pyran-4-thione | CHEMBL1649594)
Show SMILES Oc1coccc1=S
Show InChI InChI=1S/C5H4O2S/c6-4-3-7-2-1-5(4)8/h1-3,6H
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n/an/a 7.60E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP2 after 30 mins


J Med Chem 54: 591-602 (2011)


Article DOI: 10.1021/jm101266s
BindingDB Entry DOI: 10.7270/Q2154HBV
More data for this
Ligand-Target Pair
Elastase


(Pseudomonas aeruginosa)
BDBM50485649
PNG
(CHEMBL1650620)
Show SMILES Cc1c(O)c(=S)ccn1C
Show InChI InChI=1S/C7H9NOS/c1-5-7(9)6(10)3-4-8(5)2/h3-4,9H,1-2H3
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n/an/a 8.06E+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)
BDBM50485656
PNG
(CHEMBL1650624)
Show SMILES CCn1ccc(=S)c(O)c1C
Show InChI InChI=1S/C8H11NOS/c1-3-9-5-4-7(11)8(10)6(9)2/h4-5,10H,3H2,1-2H3
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n/an/a 8.85E+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
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM26193
PNG
(2-Hydroxybenzoate, I | 2-hydroxybenzoic acid | CHE...)
Show SMILES OC(=O)c1ccccc1O
Show InChI InChI=1S/C7H6O3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H,(H,9,10)
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n/an/a 1.00E+5n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase after 10 mins


J Med Chem 54: 591-602 (2011)


Article DOI: 10.1021/jm101266s
BindingDB Entry DOI: 10.7270/Q2154HBV
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50335810
PNG
(2-thiouracil | 4-mercaptopyrimidin-2-ol | CHEMBL16...)
Show SMILES O=c1[nH]ccc(=S)[nH]1
Show InChI InChI=1S/C4H4N2OS/c7-4-5-2-1-3(8)6-4/h1-2H,(H2,5,6,7,8)
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n/an/a 1.21E+5n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP2 after 30 mins


J Med Chem 54: 591-602 (2011)


Article DOI: 10.1021/jm101266s
BindingDB Entry DOI: 10.7270/Q2154HBV
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM32203
PNG
(8-quinolinol | CHEMBL310555 | US10005735, Table 1....)
Show SMILES Oc1cccc2cccnc12
Show InChI InChI=1S/C9H7NO/c11-8-5-1-3-7-4-2-6-10-9(7)8/h1-6,11H
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n/an/a 1.30E+5n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP2 after 30 mins


J Med Chem 54: 591-602 (2011)


Article DOI: 10.1021/jm101266s
BindingDB Entry DOI: 10.7270/Q2154HBV
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50236983
PNG
(2-Hydroxy-cyclohepta-2,4,6-trienone | 2-hydroxycyc...)
Show SMILES Oc1cccccc1=O
Show InChI InChI=1S/C7H6O2/c8-6-4-2-1-3-5-7(6)9/h1-5H,(H,8,9)
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n/an/a 1.46E+5n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP2 after 30 mins


J Med Chem 54: 591-602 (2011)


Article DOI: 10.1021/jm101266s
BindingDB Entry DOI: 10.7270/Q2154HBV
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50335809
PNG
(6-hydroxypicolinic acid | CHEMBL1650602)
Show SMILES OC(=O)c1cccc(=O)[nH]1
Show InChI InChI=1S/C6H5NO3/c8-5-3-1-2-4(7-5)6(9)10/h1-3H,(H,7,8)(H,9,10)
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n/an/a 1.59E+5n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase after 10 mins


J Med Chem 54: 591-602 (2011)


Article DOI: 10.1021/jm101266s
BindingDB Entry DOI: 10.7270/Q2154HBV
More data for this
Ligand-Target Pair
Lethal factor


(Bacillus anthracis)
BDBM50335806
PNG
(3-hydroxy-4H-pyran-4-thione | CHEMBL1649594)
Show SMILES Oc1coccc1=S
Show InChI InChI=1S/C5H4O2S/c6-4-3-7-2-1-5(4)8/h1-3,6H
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n/an/a 2.04E+5n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of recombinant anthrax lethal factor after 30 mins by fluorescence assay


J Med Chem 54: 591-602 (2011)


Article DOI: 10.1021/jm101266s
BindingDB Entry DOI: 10.7270/Q2154HBV
More data for this
Ligand-Target Pair
Elastase


(Pseudomonas aeruginosa)
BDBM50485652
PNG
(CHEMBL1650621)
Show SMILES Cn1cccc(O)c1=S
Show InChI InChI=1S/C6H7NOS/c1-7-4-2-3-5(8)6(7)9/h2-4,8H,1H3
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n/an/a 2.20E+5n/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
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50335811
PNG
(3-amino-2-hydroxybenzoic acid | CHEMBL1650630)
Show SMILES Nc1cccc(C(O)=O)c1O
Show InChI InChI=1S/C7H7NO3/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3,9H,8H2,(H,10,11)
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n/an/a 3.89E+5n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP2 after 30 mins


J Med Chem 54: 591-602 (2011)


Article DOI: 10.1021/jm101266s
BindingDB Entry DOI: 10.7270/Q2154HBV
More data for this
Ligand-Target Pair
Elastase


(Pseudomonas aeruginosa)
BDBM50485650
PNG
(CHEMBL1650623)
Show SMILES CCc1c(O)c(=S)ccn1CC
Show InChI InChI=1S/C9H13NOS/c1-3-7-9(11)8(12)5-6-10(7)4-2/h5-6,11H,3-4H2,1-2H3
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n/an/a 3.92E+5n/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
Lethal factor


(Bacillus anthracis)
BDBM50099857
PNG
(ACETOHYDROXAMIC ACID (AHA) | AHA | Acethydroxamsae...)
Show SMILES CC(=O)NO
Show InChI InChI=1S/C2H5NO2/c1-2(4)3-5/h5H,1H3,(H,3,4)
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n/an/a 1.14E+7n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of recombinant anthrax lethal factor after 30 mins by fluorescence assay


J Med Chem 54: 591-602 (2011)


Article DOI: 10.1021/jm101266s
BindingDB Entry DOI: 10.7270/Q2154HBV
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50099857
PNG
(ACETOHYDROXAMIC ACID (AHA) | AHA | Acethydroxamsae...)
Show SMILES CC(=O)NO
Show InChI InChI=1S/C2H5NO2/c1-2(4)3-5/h5H,1H3,(H,3,4)
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n/an/a 1.50E+7n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP2 after 30 mins


J Med Chem 54: 591-602 (2011)


Article DOI: 10.1021/jm101266s
BindingDB Entry DOI: 10.7270/Q2154HBV
More data for this
Ligand-Target Pair