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Compile Data Set for Download or QSAR

Found 51 hits with Last Name = 'tanuma' and Initial = 'si'   
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
Lactoylglutathione lyase


(Homo sapiens (Human))
BDBM50045936
PNG
((E)-4-(3,5-dihydroxystyryl)benzene-1,2-diol | (E)-...)
Show SMILES Oc1cc(O)cc(\C=C\c2ccc(O)c(O)c2)c1
Show InChI InChI=1S/C14H12O4/c15-11-5-10(6-12(16)8-11)2-1-9-3-4-13(17)14(18)7-9/h1-8,15-18H/b2-1+
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n/an/a 760n/an/an/an/an/an/a



Tokyo University of Science

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His6-tagged GLO1 expressed in baculovirus infected sf21 cells assessed as reduction in S-D-lactoylglutathione formatio...


Bioorg Med Chem Lett 27: 1169-1174 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.070
BindingDB Entry DOI: 10.7270/Q29W0HQ0
More data for this
Ligand-Target Pair
Lactoylglutathione lyase


(Homo sapiens (Human))
BDBM50569120
PNG
(CHEMBL4861582)
Show SMILES COc1ccc(\C=C(/CC(O)=O)c2nc3ccccc3s2)cc1
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n/an/a 2.30E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Glyoxalase-1 (unknown origin) assessed as inhibition of S-D-lactoylglutathione formation using MG and reduced glutathione as substrate ...


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127918
BindingDB Entry DOI: 10.7270/Q23R0XNT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Lactoylglutathione lyase


(Homo sapiens (Human))
BDBM50569128
PNG
(CHEMBL4853249)
Show SMILES COC(=O)Cc1ccc(\C=C(/CC(O)=O)c2nc3ccccc3s2)cc1
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n/an/a 2.30E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Glyoxalase-1 (unknown origin) assessed as inhibition of S-D-lactoylglutathione formation using MG and reduced glutathione as substrate ...


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127918
BindingDB Entry DOI: 10.7270/Q23R0XNT
More data for this
Ligand-Target Pair
Lactoylglutathione lyase


(Homo sapiens (Human))
BDBM50569133
PNG
(CHEMBL4875229)
Show SMILES CCOc1cc(\C=C(/CC(O)=O)c2nc3ccccc3[nH]2)ccc1OCC(=O)Nc1ccccc1
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n/an/a 2.80E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Glyoxalase-1 (unknown origin) assessed as inhibition of S-D-lactoylglutathione formation using MG and reduced glutathione as substrate ...


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127918
BindingDB Entry DOI: 10.7270/Q23R0XNT
More data for this
Ligand-Target Pair
Lactoylglutathione lyase


(Homo sapiens (Human))
BDBM50569134
PNG
(CHEMBL4863408)
Show SMILES Cc1nn(C2CCS(=O)(=O)C2)c(C)c1\C=C(/CC(O)=O)c1nc2ccccc2[nH]1
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n/an/a 2.90E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Glyoxalase-1 (unknown origin) assessed as inhibition of S-D-lactoylglutathione formation using MG and reduced glutathione as substrate ...


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127918
BindingDB Entry DOI: 10.7270/Q23R0XNT
More data for this
Ligand-Target Pair
Lactoylglutathione lyase


(Homo sapiens (Human))
BDBM50569131
PNG
(CHEMBL4852940)
Show SMILES OC(=O)C\C(=C/c1cc2OCOc2c(Br)c1)c1nc2ccccc2s1
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n/an/a 3.00E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Glyoxalase-1 (unknown origin) assessed as inhibition of S-D-lactoylglutathione formation using MG and reduced glutathione as substrate ...


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127918
BindingDB Entry DOI: 10.7270/Q23R0XNT
More data for this
Ligand-Target Pair
Lactoylglutathione lyase


(Homo sapiens (Human))
BDBM50569129
PNG
(CHEMBL4851336)
Show SMILES OC(=O)C\C(=C/c1ccc2ccccc2c1)c1nc2ccccc2s1
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n/an/a 3.20E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Glyoxalase-1 (unknown origin) assessed as inhibition of S-D-lactoylglutathione formation using MG and reduced glutathione as substrate ...


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127918
BindingDB Entry DOI: 10.7270/Q23R0XNT
More data for this
Ligand-Target Pair
Lactoylglutathione lyase


(Homo sapiens (Human))
BDBM50569125
PNG
(CHEMBL4871220)
Show SMILES COC(=O)c1ccc(\C=C(/CC(O)=O)c2nc3ccccc3s2)cc1
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n/an/a 3.30E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Glyoxalase-1 (unknown origin) assessed as inhibition of S-D-lactoylglutathione formation using MG and reduced glutathione as substrate ...


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127918
BindingDB Entry DOI: 10.7270/Q23R0XNT
More data for this
Ligand-Target Pair
Lactoylglutathione lyase


(Homo sapiens (Human))
BDBM50569130
PNG
(CHEMBL1303934)
Show SMILES OC(=O)C\C(=C/c1ccc2OCOc2c1)c1nc2ccccc2s1
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n/an/a 3.40E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Glyoxalase-1 (unknown origin) assessed as inhibition of S-D-lactoylglutathione formation using MG and reduced glutathione as substrate ...


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127918
BindingDB Entry DOI: 10.7270/Q23R0XNT
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50145829
PNG
(4-Aminobenzoesaeure | 4-aminobenzoic acid | CHEMBL...)
Show SMILES Nc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C7H7NO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,8H2,(H,9,10)
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n/an/a 3.80E+3n/an/an/an/an/an/a



Hinoki Shinyaku Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase using L-tyrosine as substrate assessed as dopachrome formation preincubated for 10 mins followed by protein additio...


Bioorg Med Chem 24: 4509-4515 (2016)


Article DOI: 10.1016/j.bmc.2016.07.060
BindingDB Entry DOI: 10.7270/Q27P92WK
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50145829
PNG
(4-Aminobenzoesaeure | 4-aminobenzoic acid | CHEMBL...)
Show SMILES Nc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C7H7NO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,8H2,(H,9,10)
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n/an/a 3.80E+3n/an/an/an/an/an/a



Hinoki Shinyaku Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase using L-tyrosine as substrate assessed as dopachrome formation preincubated for 10 mins followed by protein additio...


Bioorg Med Chem 24: 4509-4515 (2016)


Article DOI: 10.1016/j.bmc.2016.07.060
BindingDB Entry DOI: 10.7270/Q27P92WK
More data for this
Ligand-Target Pair
Lactoylglutathione lyase


(Homo sapiens (Human))
BDBM50569127
PNG
(CHEMBL4877301)
Show SMILES OC(=O)C\C(=C/c1ccc(CC(O)=O)cc1)c1nc2ccccc2s1
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n/an/a 4.40E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Glyoxalase-1 (unknown origin) assessed as inhibition of S-D-lactoylglutathione formation using MG and reduced glutathione as substrate ...


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127918
BindingDB Entry DOI: 10.7270/Q23R0XNT
More data for this
Ligand-Target Pair
Lactoylglutathione lyase


(Homo sapiens (Human))
BDBM50569121
PNG
(CHEMBL1162436)
Show SMILES COc1cccc(\C=C(/CC(O)=O)c2nc3ccccc3s2)c1
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n/an/a 4.60E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Glyoxalase-1 (unknown origin) assessed as inhibition of S-D-lactoylglutathione formation using MG and reduced glutathione as substrate ...


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127918
BindingDB Entry DOI: 10.7270/Q23R0XNT
More data for this
Ligand-Target Pair
Lactoylglutathione lyase


(Homo sapiens (Human))
BDBM54054
PNG
((E)-3-(1,3-benzoxazol-2-yl)-4-(4-methoxyphenyl)-3-...)
Show SMILES COc1ccc(\C=C(/CC(O)=O)c2nc3ccccc3o2)cc1
Show InChI InChI=1S/C18H15NO4/c1-22-14-8-6-12(7-9-14)10-13(11-17(20)21)18-19-15-4-2-3-5-16(15)23-18/h2-10H,11H2,1H3,(H,20,21)/b13-10+
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n/an/a 5.30E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Glyoxalase-1 (unknown origin) assessed as inhibition of S-D-lactoylglutathione formation using MG and reduced glutathione as substrate ...


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127918
BindingDB Entry DOI: 10.7270/Q23R0XNT
More data for this
Ligand-Target Pair
Lactoylglutathione lyase


(Homo sapiens (Human))
BDBM50569132
PNG
(CHEMBL4848220)
Show SMILES OC(=O)C\C(=C/c1ccc(Br)cc1)c1nc2ccccc2s1
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n/an/a 5.40E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Glyoxalase-1 (unknown origin) assessed as inhibition of S-D-lactoylglutathione formation using MG and reduced glutathione as substrate ...


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127918
BindingDB Entry DOI: 10.7270/Q23R0XNT
More data for this
Ligand-Target Pair
Lactoylglutathione lyase


(Homo sapiens (Human))
BDBM50569124
PNG
(CHEMBL4877073)
Show SMILES OC(=O)COc1ccc(\C=C(/CC(O)=O)c2nc3ccccc3s2)cc1
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n/an/a 5.50E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Glyoxalase-1 (unknown origin) assessed as inhibition of S-D-lactoylglutathione formation using MG and reduced glutathione as substrate ...


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127918
BindingDB Entry DOI: 10.7270/Q23R0XNT
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50195793
PNG
(CHEMBL123234)
Show SMILES OC(=O)c1cccc(c1)-c1ccccc1
Show InChI InChI=1S/C13H10O2/c14-13(15)12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-9H,(H,14,15)
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n/an/a 6.97E+3n/an/an/an/an/an/a



Hinoki Shinyaku Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase monophenolase activity using L-tyrosine as substrate measured every 60 s for 25 times


Bioorg Med Chem 24: 4509-4515 (2016)


Article DOI: 10.1016/j.bmc.2016.07.060
BindingDB Entry DOI: 10.7270/Q27P92WK
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50195793
PNG
(CHEMBL123234)
Show SMILES OC(=O)c1cccc(c1)-c1ccccc1
Show InChI InChI=1S/C13H10O2/c14-13(15)12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-9H,(H,14,15)
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n/an/a 6.97E+3n/an/an/an/an/an/a



Hinoki Shinyaku Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase monophenolase activity using L-tyrosine as substrate measured every 60 s for 25 times


Bioorg Med Chem 24: 4509-4515 (2016)


Article DOI: 10.1016/j.bmc.2016.07.060
BindingDB Entry DOI: 10.7270/Q27P92WK
More data for this
Ligand-Target Pair
Lactoylglutathione lyase


(Homo sapiens (Human))
BDBM50569123
PNG
(CHEMBL4874418)
Show SMILES OC(=O)C\C(=C/c1ccc(O)cc1)c1nc2ccccc2s1
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n/an/a 8.20E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Glyoxalase-1 (unknown origin) assessed as inhibition of S-D-lactoylglutathione formation using MG and reduced glutathione as substrate ...


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127918
BindingDB Entry DOI: 10.7270/Q23R0XNT
More data for this
Ligand-Target Pair
Lactoylglutathione lyase


(Homo sapiens (Human))
BDBM50569126
PNG
(CHEMBL4849720)
Show SMILES Cc1ccc(\C=C(/CC(O)=O)c2nc3ccccc3s2)cc1
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n/an/a 9.50E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Glyoxalase-1 (unknown origin) assessed as inhibition of S-D-lactoylglutathione formation using MG and reduced glutathione as substrate ...


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127918
BindingDB Entry DOI: 10.7270/Q23R0XNT
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B p105 subunit


(Homo sapiens (Human))
BDBM50300847
PNG
(4,6-dichloro-N-m-tolyl-1,3,5-triazin-2-amine | CHE...)
Show SMILES Cc1cccc(Nc2nc(Cl)nc(Cl)n2)c1
Show InChI InChI=1S/C10H8Cl2N4/c1-6-3-2-4-7(5-6)13-10-15-8(11)14-9(12)16-10/h2-5H,1H3,(H,13,14,15,16)
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n/an/a 1.90E+4n/an/an/an/an/an/a



Tokushima Bunri University

Curated by ChEMBL


Assay Description
Inhibition of GST-fused human NFkappaB p50 subunit DNA binding activity assessed as shortened diffusion time by fluorescence correlation spectroscopy


Bioorg Med Chem 17: 5293-7 (2009)


Article DOI: 10.1016/j.bmc.2009.05.030
BindingDB Entry DOI: 10.7270/Q2222TVT
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B p105 subunit


(Homo sapiens (Human))
BDBM50300846
PNG
(4,6-dichloro-N-phenyl-1,3,5-triazin-2-amine | CHEM...)
Show SMILES Clc1nc(Cl)nc(Nc2ccccc2)n1
Show InChI InChI=1S/C9H6Cl2N4/c10-7-13-8(11)15-9(14-7)12-6-4-2-1-3-5-6/h1-5H,(H,12,13,14,15)
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n/an/a 2.86E+4n/an/an/an/an/an/a



Tokushima Bunri University

Curated by ChEMBL


Assay Description
Inhibition of GST-fused human NFkappaB p50 subunit DNA binding activity assessed as shortened diffusion time by fluorescence correlation spectroscopy


Bioorg Med Chem 17: 5293-7 (2009)


Article DOI: 10.1016/j.bmc.2009.05.030
BindingDB Entry DOI: 10.7270/Q2222TVT
More data for this
Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase


(Homo sapiens (Human))
BDBM50541116
PNG
(CHEBI:87202 | Rose bengal)
Show SMILES OC(=O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1-c1c2cc(I)c(O)c(I)c2oc2c(I)c(=O)c(I)cc12 |(2.68,-2.06,;2.67,-3.09,;3.74,-3.7,;1.34,-3.85,;1.34,-5.39,;2.4,-6.01,;0,-6.16,;0,-7.39,;-1.33,-5.39,;-2.4,-6.01,;-1.33,-3.85,;-2.4,-3.23,;0,-3.08,;,-1.54,;-1.33,-.77,;-2.67,-1.54,;-4,-.77,;-5.07,-1.39,;-4,.77,;-5.07,1.39,;-2.67,1.54,;-2.67,2.77,;-1.33,.77,;,1.54,;1.31,.77,;2.67,1.54,;2.67,2.77,;4,.77,;5.07,1.39,;4,-.77,;5.07,-1.39,;2.67,-1.54,;1.31,-.77,)|
Show InChI InChI=1S/C20H4Cl4I4O5/c21-10-8(9(20(31)32)11(22)13(24)12(10)23)7-3-1-5(25)16(29)14(27)18(3)33-19-4(7)2-6(26)17(30)15(19)28/h1-2,29H,(H,31,32)
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n/an/a 2.97E+4n/an/an/an/an/an/a



Tokyo University of Science

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PARG assessed as mono(ADP-R) release using PAR as substrate measured after 15 mins by HPLC analysis


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115249
BindingDB Entry DOI: 10.7270/Q2XK8K38
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B p105 subunit


(Homo sapiens (Human))
BDBM50300851
PNG
(4,6-dichloro-N-(4-ethoxyphenyl)-1,3,5-triazin-2-am...)
Show SMILES CCOc1ccc(Nc2nc(Cl)nc(Cl)n2)cc1
Show InChI InChI=1S/C11H10Cl2N4O/c1-2-18-8-5-3-7(4-6-8)14-11-16-9(12)15-10(13)17-11/h3-6H,2H2,1H3,(H,14,15,16,17)
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n/an/a 3.52E+4n/an/an/an/an/an/a



Tokushima Bunri University

Curated by ChEMBL


Assay Description
Inhibition of GST-fused human NFkappaB p50 subunit DNA binding activity assessed as shortened diffusion time by fluorescence correlation spectroscopy


Bioorg Med Chem 17: 5293-7 (2009)


Article DOI: 10.1016/j.bmc.2009.05.030
BindingDB Entry DOI: 10.7270/Q2222TVT
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50195793
PNG
(CHEMBL123234)
Show SMILES OC(=O)c1cccc(c1)-c1ccccc1
Show InChI InChI=1S/C13H10O2/c14-13(15)12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-9H,(H,14,15)
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n/an/a 3.63E+4n/an/an/an/an/an/a



Hinoki Shinyaku Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase diphenolase activity using L-DOPA as substrate measured every 30 s for 25 times


Bioorg Med Chem 24: 4509-4515 (2016)


Article DOI: 10.1016/j.bmc.2016.07.060
BindingDB Entry DOI: 10.7270/Q27P92WK
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50195793
PNG
(CHEMBL123234)
Show SMILES OC(=O)c1cccc(c1)-c1ccccc1
Show InChI InChI=1S/C13H10O2/c14-13(15)12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-9H,(H,14,15)
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n/an/a 3.63E+4n/an/an/an/an/an/a



Hinoki Shinyaku Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase diphenolase activity using L-DOPA as substrate measured every 30 s for 25 times


Bioorg Med Chem 24: 4509-4515 (2016)


Article DOI: 10.1016/j.bmc.2016.07.060
BindingDB Entry DOI: 10.7270/Q27P92WK
More data for this
Ligand-Target Pair
Lactoylglutathione lyase


(Homo sapiens (Human))
BDBM50569122
PNG
(CHEMBL4870472)
Show SMILES COc1ccccc1\C=C(/CC(O)=O)c1nc2ccccc2s1
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n/an/a 4.66E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Glyoxalase-1 (unknown origin) assessed as inhibition of S-D-lactoylglutathione formation using MG and reduced glutathione as substrate ...


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127918
BindingDB Entry DOI: 10.7270/Q23R0XNT
More data for this
Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase


(Homo sapiens (Human))
BDBM50541115
PNG
(CHEMBL1254258)
Show SMILES OC(=O)c1c(Cl)ccc(Cl)c1-c1c2cc(I)c(O)c(I)c2oc2c(I)c(=O)c(I)cc12 |(16.99,3.56,;16.2,2.19,;17,.82,;14.63,2.18,;14.63,3.73,;15.96,4.51,;13.29,4.5,;11.96,3.73,;11.96,2.18,;10.62,1.42,;13.29,1.42,;13.29,-.12,;11.96,-.89,;10.64,-.12,;9.32,-.88,;7.95,-.09,;9.31,-2.41,;7.98,-3.19,;10.63,-3.18,;10.62,-4.76,;11.95,-2.42,;13.28,-3.2,;14.62,-2.42,;15.94,-3.2,;15.93,-4.78,;17.28,-2.45,;18.6,-3.23,;17.29,-.91,;18.66,-.13,;15.96,-.12,;14.63,-.88,)|
Show InChI InChI=1S/C20H6Cl2I4O5/c21-7-1-2-8(22)13(20(29)30)12(7)11-5-3-9(23)16(27)14(25)18(5)31-19-6(11)4-10(24)17(28)15(19)26/h1-4,27H,(H,29,30)
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n/an/a 6.14E+4n/an/an/an/an/an/a



Tokyo University of Science

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PARG assessed as mono(ADP-R) release using PAR as substrate measured after 15 mins by HPLC analysis


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115249
BindingDB Entry DOI: 10.7270/Q2XK8K38
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50060971
PNG
(Biphenyl-4-carboxylic acid | CHEMBL107057)
Show SMILES OC(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C13H10O2/c14-13(15)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H,(H,14,15)
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n/an/a 6.32E+4n/an/an/an/an/an/a



Hinoki Shinyaku Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase monophenolase activity using L-tyrosine as substrate measured every 60 s for 25 times


Bioorg Med Chem 24: 4509-4515 (2016)


Article DOI: 10.1016/j.bmc.2016.07.060
BindingDB Entry DOI: 10.7270/Q27P92WK
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50060971
PNG
(Biphenyl-4-carboxylic acid | CHEMBL107057)
Show SMILES OC(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C13H10O2/c14-13(15)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H,(H,14,15)
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n/an/a 6.32E+4n/an/an/an/an/an/a



Hinoki Shinyaku Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase monophenolase activity using L-tyrosine as substrate measured every 60 s for 25 times


Bioorg Med Chem 24: 4509-4515 (2016)


Article DOI: 10.1016/j.bmc.2016.07.060
BindingDB Entry DOI: 10.7270/Q27P92WK
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B p105 subunit


(Homo sapiens (Human))
BDBM50300852
PNG
(4,6-dichloro-N-(4-isopropylphenyl)-1,3,5-triazin-2...)
Show SMILES CC(C)c1ccc(Nc2nc(Cl)nc(Cl)n2)cc1
Show InChI InChI=1S/C12H12Cl2N4/c1-7(2)8-3-5-9(6-4-8)15-12-17-10(13)16-11(14)18-12/h3-7H,1-2H3,(H,15,16,17,18)
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n/an/a 7.44E+4n/an/an/an/an/an/a



Tokushima Bunri University

Curated by ChEMBL


Assay Description
Inhibition of GST-fused human NFkappaB p50 subunit DNA binding activity assessed as shortened diffusion time by fluorescence correlation spectroscopy


Bioorg Med Chem 17: 5293-7 (2009)


Article DOI: 10.1016/j.bmc.2009.05.030
BindingDB Entry DOI: 10.7270/Q2222TVT
More data for this
Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase


(Homo sapiens (Human))
BDBM50058291
PNG
(CHEBI:87193 | CHEMBL1205178)
Show SMILES OC(=O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1-c1c2cc(Br)c(O)c(Br)c2oc2c(Br)c(=O)c(Br)cc12 |(17.43,-2.64,;16.66,-3.99,;17.43,-5.3,;15.12,-3.99,;15.12,-2.45,;16.43,-1.68,;13.77,-1.68,;13.77,-.14,;12.46,-2.45,;11.11,-1.68,;12.46,-3.99,;11.11,-4.76,;13.77,-4.76,;13.8,-6.3,;12.46,-7.07,;11.11,-6.3,;9.79,-7.1,;8.45,-6.33,;9.79,-8.64,;8,-9.7,;11.11,-9.41,;11.14,-10.95,;12.46,-8.64,;13.8,-9.41,;15.12,-8.61,;16.46,-9.38,;16.46,-10.92,;17.81,-8.61,;19.13,-9.38,;17.81,-7.07,;19.13,-6.3,;16.46,-6.3,;15.12,-7.07,)|
Show InChI InChI=1S/C20H4Br4Cl4O5/c21-5-1-3-7(8-9(20(31)32)13(26)15(28)14(27)12(8)25)4-2-6(22)17(30)11(24)19(4)33-18(3)10(23)16(5)29/h1-2,29H,(H,31,32)
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n/an/a 1.06E+5n/an/an/an/an/an/a



Tokyo University of Science

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PARG assessed as mono(ADP-R) release using PAR as substrate measured after 15 mins by HPLC analysis


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115249
BindingDB Entry DOI: 10.7270/Q2XK8K38
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B p105 subunit


(Homo sapiens (Human))
BDBM50300850
PNG
(4,6-dichloro-N-(4-chlorophenyl)-1,3,5-triazin-2-am...)
Show SMILES Clc1ccc(Nc2nc(Cl)nc(Cl)n2)cc1
Show InChI InChI=1S/C9H5Cl3N4/c10-5-1-3-6(4-2-5)13-9-15-7(11)14-8(12)16-9/h1-4H,(H,13,14,15,16)
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n/an/a 1.10E+5n/an/an/an/an/an/a



Tokushima Bunri University

Curated by ChEMBL


Assay Description
Inhibition of GST-fused human NFkappaB p50 subunit DNA binding activity assessed as shortened diffusion time by fluorescence correlation spectroscopy


Bioorg Med Chem 17: 5293-7 (2009)


Article DOI: 10.1016/j.bmc.2009.05.030
BindingDB Entry DOI: 10.7270/Q2222TVT
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B p105 subunit


(Homo sapiens (Human))
BDBM50300848
PNG
(4,6-dichloro-N-(3-nitrophenyl)-1,3,5-triazin-2-ami...)
Show SMILES [O-][N+](=O)c1cccc(Nc2nc(Cl)nc(Cl)n2)c1
Show InChI InChI=1S/C9H5Cl2N5O2/c10-7-13-8(11)15-9(14-7)12-5-2-1-3-6(4-5)16(17)18/h1-4H,(H,12,13,14,15)
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n/an/a 1.19E+5n/an/an/an/an/an/a



Tokushima Bunri University

Curated by ChEMBL


Assay Description
Inhibition of GST-fused human NFkappaB p50 subunit DNA binding activity assessed as shortened diffusion time by fluorescence correlation spectroscopy


Bioorg Med Chem 17: 5293-7 (2009)


Article DOI: 10.1016/j.bmc.2009.05.030
BindingDB Entry DOI: 10.7270/Q2222TVT
More data for this
Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase


(Homo sapiens (Human))
BDBM50541114
PNG
(TETRAIDOFLUORESCEIN)
Show SMILES OC(=O)c1ccccc1-c1c2cc(I)c(O)c(I)c2oc2c(I)c(=O)c(I)cc12 |(9.64,-9.16,;8.73,-7.92,;10.07,-7.15,;7.4,-7.15,;7.4,-5.61,;6.07,-4.84,;4.74,-5.61,;4.74,-7.15,;6.07,-7.92,;6.07,-9.46,;7.4,-10.23,;8.73,-9.46,;10.07,-10.23,;11.4,-9.46,;10.07,-11.77,;11.4,-12.54,;8.73,-12.54,;8.73,-14.08,;7.4,-11.77,;6.07,-12.54,;4.74,-11.77,;3.4,-12.54,;3.4,-14.08,;2.07,-11.77,;.73,-12.54,;2.07,-10.23,;.73,-9.46,;3.4,-9.46,;4.74,-10.23,)|
Show InChI InChI=1S/C20H8I4O5/c21-11-5-9-13(7-3-1-2-4-8(7)20(27)28)10-6-12(22)17(26)15(24)19(10)29-18(9)14(23)16(11)25/h1-6,25H,(H,27,28)
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n/an/a 1.20E+5n/an/an/an/an/an/a



Tokyo University of Science

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PARG assessed as mono(ADP-R) release using PAR as substrate measured after 15 mins by HPLC analysis


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115249
BindingDB Entry DOI: 10.7270/Q2XK8K38
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50060971
PNG
(Biphenyl-4-carboxylic acid | CHEMBL107057)
Show SMILES OC(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C13H10O2/c14-13(15)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H,(H,14,15)
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n/an/a 2.16E+5n/an/an/an/an/an/a



Hinoki Shinyaku Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase diphenolase activity using L-DOPA as substrate measured every 30 s for 25 times


Bioorg Med Chem 24: 4509-4515 (2016)


Article DOI: 10.1016/j.bmc.2016.07.060
BindingDB Entry DOI: 10.7270/Q27P92WK
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50060971
PNG
(Biphenyl-4-carboxylic acid | CHEMBL107057)
Show SMILES OC(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C13H10O2/c14-13(15)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H,(H,14,15)
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n/an/a 2.16E+5n/an/an/an/an/an/a



Hinoki Shinyaku Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase diphenolase activity using L-DOPA as substrate measured every 30 s for 25 times


Bioorg Med Chem 24: 4509-4515 (2016)


Article DOI: 10.1016/j.bmc.2016.07.060
BindingDB Entry DOI: 10.7270/Q27P92WK
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM197302
PNG
(Benzoic acid | SAMPL4, O1)
Show SMILES OC(=O)c1ccccc1
Show InChI InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)
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n/an/a 2.25E+5n/an/an/an/an/an/a



Hinoki Shinyaku Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase monophenolase activity using L-tyrosine as substrate measured every 60 s for 25 times


Bioorg Med Chem 24: 4509-4515 (2016)


Article DOI: 10.1016/j.bmc.2016.07.060
BindingDB Entry DOI: 10.7270/Q27P92WK
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM197302
PNG
(Benzoic acid | SAMPL4, O1)
Show SMILES OC(=O)c1ccccc1
Show InChI InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)
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n/an/a 2.25E+5n/an/an/an/an/an/a



Hinoki Shinyaku Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase monophenolase activity using L-tyrosine as substrate measured every 60 s for 25 times


Bioorg Med Chem 24: 4509-4515 (2016)


Article DOI: 10.1016/j.bmc.2016.07.060
BindingDB Entry DOI: 10.7270/Q27P92WK
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B p105 subunit


(Homo sapiens (Human))
BDBM50300849
PNG
(4,6-dichloro-N-(4-nitrophenyl)-1,3,5-triazin-2-ami...)
Show SMILES [O-][N+](=O)c1ccc(Nc2nc(Cl)nc(Cl)n2)cc1
Show InChI InChI=1S/C9H5Cl2N5O2/c10-7-13-8(11)15-9(14-7)12-5-1-3-6(4-2-5)16(17)18/h1-4H,(H,12,13,14,15)
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n/an/a>3.00E+5n/an/an/an/an/an/a



Tokushima Bunri University

Curated by ChEMBL


Assay Description
Inhibition of GST-fused human NFkappaB p50 subunit DNA binding activity assessed as shortened diffusion time by fluorescence correlation spectroscopy


Bioorg Med Chem 17: 5293-7 (2009)


Article DOI: 10.1016/j.bmc.2009.05.030
BindingDB Entry DOI: 10.7270/Q2222TVT
More data for this
Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase


(Homo sapiens (Human))
BDBM50206441
PNG
(2-(2,4,5,7-tetrabromo-3-hydroxy-6-oxo-6H-xanthen-9...)
Show SMILES OC(=O)c1ccccc1-c1c2cc(Br)c(O)c(Br)c2oc2c(Br)c(=O)c(Br)cc12 |(32.53,-16.69,;33.02,-15.23,;32,-14.07,;34.53,-14.92,;34.52,-13.38,;35.85,-12.6,;37.19,-13.36,;37.2,-14.9,;35.87,-15.67,;35.87,-17.21,;37.21,-17.96,;38.54,-17.19,;39.88,-17.94,;41.21,-17.16,;39.89,-19.5,;41.23,-20.26,;38.56,-20.28,;38.57,-21.82,;37.22,-19.51,;35.88,-20.29,;34.55,-19.52,;33.22,-20.3,;33.22,-21.84,;31.88,-19.53,;30.55,-20.3,;31.88,-17.98,;30.56,-17.2,;33.22,-17.24,;34.55,-17.98,)|
Show InChI InChI=1S/C20H8Br4O5/c21-11-5-9-13(7-3-1-2-4-8(7)20(27)28)10-6-12(22)17(26)15(24)19(10)29-18(9)14(23)16(11)25/h1-6,25H,(H,27,28)
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n/an/a>3.00E+5n/an/an/an/an/an/a



Tokyo University of Science

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PARG assessed as mono(ADP-R) release using PAR as substrate measured after 15 mins by HPLC analysis


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115249
BindingDB Entry DOI: 10.7270/Q2XK8K38
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM243072
PNG
(Anisic acid)
Show SMILES COc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C8H8O3/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5H,1H3,(H,9,10)
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n/an/a 4.20E+5n/an/an/an/an/an/a



Hinoki Shinyaku Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase using L-tyrosine as substrate assessed as dopachrome formation preincubated for 10 mins followed by protein additio...


Bioorg Med Chem 24: 4509-4515 (2016)


Article DOI: 10.1016/j.bmc.2016.07.060
BindingDB Entry DOI: 10.7270/Q27P92WK
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM243072
PNG
(Anisic acid)
Show SMILES COc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C8H8O3/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5H,1H3,(H,9,10)
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n/an/a 4.20E+5n/an/an/an/an/an/a



Hinoki Shinyaku Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase using L-tyrosine as substrate assessed as dopachrome formation preincubated for 10 mins followed by protein additio...


Bioorg Med Chem 24: 4509-4515 (2016)


Article DOI: 10.1016/j.bmc.2016.07.060
BindingDB Entry DOI: 10.7270/Q27P92WK
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM197302
PNG
(Benzoic acid | SAMPL4, O1)
Show SMILES OC(=O)c1ccccc1
Show InChI InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)
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n/an/a 7.10E+5n/an/an/an/an/an/a



Hinoki Shinyaku Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase using L-DOPA as substrate preincubated for 5 mins followed by substrate addition measured for 2 mins by spectrophot...


Bioorg Med Chem 24: 4509-4515 (2016)


Article DOI: 10.1016/j.bmc.2016.07.060
BindingDB Entry DOI: 10.7270/Q27P92WK
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM197302
PNG
(Benzoic acid | SAMPL4, O1)
Show SMILES OC(=O)c1ccccc1
Show InChI InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)
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n/an/a 7.10E+5n/an/an/an/an/an/a



Hinoki Shinyaku Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase using L-DOPA as substrate preincubated for 5 mins followed by substrate addition measured for 2 mins by spectrophot...


Bioorg Med Chem 24: 4509-4515 (2016)


Article DOI: 10.1016/j.bmc.2016.07.060
BindingDB Entry DOI: 10.7270/Q27P92WK
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM197302
PNG
(Benzoic acid | SAMPL4, O1)
Show SMILES OC(=O)c1ccccc1
Show InChI InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)
UniProtKB/SwissProt

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KEGG
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n/an/a 8.22E+5n/an/an/an/an/an/a



Hinoki Shinyaku Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase diphenolase activity using L-DOPA as substrate measured every 30 s for 25 times


Bioorg Med Chem 24: 4509-4515 (2016)


Article DOI: 10.1016/j.bmc.2016.07.060
BindingDB Entry DOI: 10.7270/Q27P92WK
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM197302
PNG
(Benzoic acid | SAMPL4, O1)
Show SMILES OC(=O)c1ccccc1
Show InChI InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)
UniProtKB/SwissProt

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MCE
KEGG
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UniChem
Article
PubMed
n/an/a 8.22E+5n/an/an/an/an/an/a



Hinoki Shinyaku Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase diphenolase activity using L-DOPA as substrate measured every 30 s for 25 times


Bioorg Med Chem 24: 4509-4515 (2016)


Article DOI: 10.1016/j.bmc.2016.07.060
BindingDB Entry DOI: 10.7270/Q27P92WK
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50533338
PNG
(CHEMBL3092388)
Show SMILES OC(=O)c1ccccc1-c1ccccc1
Show InChI InChI=1S/C13H10O2/c14-13(15)12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9H,(H,14,15)
UniProtKB/SwissProt

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PC cid
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UniChem
Article
PubMed
n/an/a>1.00E+6n/an/an/an/an/an/a



Hinoki Shinyaku Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase monophenolase activity using L-tyrosine as substrate measured every 60 s for 25 times


Bioorg Med Chem 24: 4509-4515 (2016)


Article DOI: 10.1016/j.bmc.2016.07.060
BindingDB Entry DOI: 10.7270/Q27P92WK
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50533338
PNG
(CHEMBL3092388)
Show SMILES OC(=O)c1ccccc1-c1ccccc1
Show InChI InChI=1S/C13H10O2/c14-13(15)12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9H,(H,14,15)
UniProtKB/SwissProt

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MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+6n/an/an/an/an/an/a



Hinoki Shinyaku Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase diphenolase activity using L-DOPA as substrate measured every 30 s for 25 times


Bioorg Med Chem 24: 4509-4515 (2016)


Article DOI: 10.1016/j.bmc.2016.07.060
BindingDB Entry DOI: 10.7270/Q27P92WK
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50533338
PNG
(CHEMBL3092388)
Show SMILES OC(=O)c1ccccc1-c1ccccc1
Show InChI InChI=1S/C13H10O2/c14-13(15)12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9H,(H,14,15)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+6n/an/an/an/an/an/a



Hinoki Shinyaku Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase diphenolase activity using L-DOPA as substrate measured every 30 s for 25 times


Bioorg Med Chem 24: 4509-4515 (2016)


Article DOI: 10.1016/j.bmc.2016.07.060
BindingDB Entry DOI: 10.7270/Q27P92WK
More data for this
Ligand-Target Pair
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