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Compile Data Set for Download or QSAR

Found 49 hits with Last Name = 'fishman' and Initial = 'a'   
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))
BDBM50515011
PNG
(CHEMBL4483054)
Show SMILES Fc1ccc(CN2CCN(CC2)C(=O)c2ccccc2C(F)(F)F)cc1
Show InChI InChI=1S/C19H18F4N2O/c20-15-7-5-14(6-8-15)13-24-9-11-25(12-10-24)18(26)16-3-1-2-4-17(16)19(21,22)23/h1-8H,9-13H2
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n/an/a 480n/an/an/an/an/an/a



Polo Universitario SS. Annunziata

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase assessed as reduction in dopachrome production using L-DOPA as substrate after 5 mins by spectrophotometric analysi...


Eur J Med Chem 178: 380-389 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.019
BindingDB Entry DOI: 10.7270/Q2G44TMV
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50515021
PNG
(CHEMBL4514964)
Show SMILES Fc1ccc(CN2CCN(CC2)C(=O)c2ccc(Cl)cc2Cl)cc1
Show InChI InChI=1S/C18H17Cl2FN2O/c19-14-3-6-16(17(20)11-14)18(24)23-9-7-22(8-10-23)12-13-1-4-15(21)5-2-13/h1-6,11H,7-10,12H2
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n/an/a 790n/an/an/an/an/an/a



Polo Universitario SS. Annunziata

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase assessed as reduction in dopachrome production using L-DOPA as substrate after 5 mins by spectrophotometric analysi...


Eur J Med Chem 178: 380-389 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.019
BindingDB Entry DOI: 10.7270/Q2G44TMV
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50515006
PNG
(CHEMBL4436887)
Show SMILES [O-][N+](=O)c1ccccc1C(=O)N1CCN(Cc2ccc(F)cc2)CC1
Show InChI InChI=1S/C18H18FN3O3/c19-15-7-5-14(6-8-15)13-20-9-11-21(12-10-20)18(23)16-3-1-2-4-17(16)22(24)25/h1-8H,9-13H2
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n/an/a 870n/an/an/an/an/an/a



Polo Universitario SS. Annunziata

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase assessed as reduction in dopachrome production using L-DOPA as substrate after 5 mins by spectrophotometric analysi...


Eur J Med Chem 178: 380-389 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.019
BindingDB Entry DOI: 10.7270/Q2G44TMV
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50515004
PNG
(CHEMBL4460618)
Show SMILES [O-][N+](=O)c1ccc(C(=O)N2CCN(Cc3ccc(F)cc3)CC2)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C18H17FN4O5/c19-14-3-1-13(2-4-14)12-20-7-9-21(10-8-20)18(24)16-6-5-15(22(25)26)11-17(16)23(27)28/h1-6,11H,7-10,12H2
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n/an/a 960n/an/an/an/an/an/a



Polo Universitario SS. Annunziata

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase assessed as reduction in dopachrome production using L-DOPA as substrate after 5 mins by spectrophotometric analysi...


Eur J Med Chem 178: 380-389 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.019
BindingDB Entry DOI: 10.7270/Q2G44TMV
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50515007
PNG
(CHEMBL4518888)
Show SMILES Fc1ccc(CN2CCN(CC2)C(=O)c2ccc(Br)cc2Br)cc1
Show InChI InChI=1S/C18H17Br2FN2O/c19-14-3-6-16(17(20)11-14)18(24)23-9-7-22(8-10-23)12-13-1-4-15(21)5-2-13/h1-6,11H,7-10,12H2
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n/an/a 1.05E+3n/an/an/an/an/an/a



Polo Universitario SS. Annunziata

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase assessed as reduction in dopachrome production using L-DOPA as substrate after 5 mins by spectrophotometric analysi...


Eur J Med Chem 178: 380-389 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.019
BindingDB Entry DOI: 10.7270/Q2G44TMV
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50515008
PNG
(CHEMBL4514764)
Show SMILES COc1ccc(C(=O)N2CCN(Cc3ccc(F)cc3)CC2)c(OC)c1
Show InChI InChI=1S/C20H23FN2O3/c1-25-17-7-8-18(19(13-17)26-2)20(24)23-11-9-22(10-12-23)14-15-3-5-16(21)6-4-15/h3-8,13H,9-12,14H2,1-2H3
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n/an/a 1.40E+3n/an/an/an/an/an/a



Polo Universitario SS. Annunziata

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase assessed as reduction in dopachrome production using L-DOPA as substrate after 5 mins by spectrophotometric analysi...


Eur J Med Chem 178: 380-389 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.019
BindingDB Entry DOI: 10.7270/Q2G44TMV
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50515003
PNG
(CHEMBL4549197)
Show SMILES Oc1ccc(C(=O)N2CCN(Cc3ccc(F)cc3)CC2)c(O)c1
Show InChI InChI=1S/C18H19FN2O3/c19-14-3-1-13(2-4-14)12-20-7-9-21(10-8-20)18(24)16-6-5-15(22)11-17(16)23/h1-6,11,22-23H,7-10,12H2
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n/an/a 1.49E+3n/an/an/an/an/an/a



Polo Universitario SS. Annunziata

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase assessed as reduction in dopachrome production using L-DOPA as substrate after 5 mins by spectrophotometric analysi...


Eur J Med Chem 178: 380-389 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.019
BindingDB Entry DOI: 10.7270/Q2G44TMV
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50514999
PNG
(CHEMBL4457407)
Show SMILES Fc1ccc(CN2CCN(CC2)C(=O)c2ccc(cc2C(F)(F)F)C(F)(F)F)cc1
Show InChI InChI=1S/C20H17F7N2O/c21-15-4-1-13(2-5-15)12-28-7-9-29(10-8-28)18(30)16-6-3-14(19(22,23)24)11-17(16)20(25,26)27/h1-6,11H,7-10,12H2
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n/an/a 1.63E+3n/an/an/an/an/an/a



Polo Universitario SS. Annunziata

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase assessed as reduction in dopachrome production using L-DOPA as substrate after 5 mins by spectrophotometric analysi...


Eur J Med Chem 178: 380-389 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.019
BindingDB Entry DOI: 10.7270/Q2G44TMV
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50515009
PNG
(CHEMBL4541945)
Show SMILES Fc1ccc(CN2CCN(CC2)C(=O)c2ccc(F)cc2F)cc1
Show InChI InChI=1S/C18H17F3N2O/c19-14-3-1-13(2-4-14)12-22-7-9-23(10-8-22)18(24)16-6-5-15(20)11-17(16)21/h1-6,11H,7-10,12H2
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n/an/a 1.91E+3n/an/an/an/an/an/a



Polo Universitario SS. Annunziata

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase assessed as reduction in dopachrome production using L-DOPA as substrate after 5 mins by spectrophotometric analysi...


Eur J Med Chem 178: 380-389 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.019
BindingDB Entry DOI: 10.7270/Q2G44TMV
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50452912
PNG
(CHEMBL4217531)
Show SMILES COc1ccccc1C(=O)N1CCN(Cc2ccc(F)cc2)CC1
Show InChI InChI=1S/C19H21FN2O2/c1-24-18-5-3-2-4-17(18)19(23)22-12-10-21(11-13-22)14-15-6-8-16(20)9-7-15/h2-9H,10-14H2,1H3
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n/an/a 2.03E+3n/an/an/an/an/an/a



Universit� di Messina

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase diphenolase activity using L-DOPA as substrate preincubated with substrate for 10 mins followed by protein addition...


J Med Chem 61: 3908-3917 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01745
BindingDB Entry DOI: 10.7270/Q2V127DR
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50515020
PNG
(CHEMBL4564235)
Show SMILES Fc1ccc(CN2CCN(CC2)C(=O)c2ccccc2Br)cc1
Show InChI InChI=1S/C18H18BrFN2O/c19-17-4-2-1-3-16(17)18(23)22-11-9-21(10-12-22)13-14-5-7-15(20)8-6-14/h1-8H,9-13H2
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n/an/a 2.03E+3n/an/an/an/an/an/a



Polo Universitario SS. Annunziata

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase assessed as reduction in dopachrome production using L-DOPA as substrate after 5 mins by spectrophotometric analysi...


Eur J Med Chem 178: 380-389 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.019
BindingDB Entry DOI: 10.7270/Q2G44TMV
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50515005
PNG
(CHEMBL4516730)
Show SMILES [O-][N+](=O)c1ccc(cc1)C(=O)N1CCN(Cc2ccc(F)cc2)CC1
Show InChI InChI=1S/C18H18FN3O3/c19-16-5-1-14(2-6-16)13-20-9-11-21(12-10-20)18(23)15-3-7-17(8-4-15)22(24)25/h1-8H,9-13H2
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n/an/a 2.05E+3n/an/an/an/an/an/a



Polo Universitario SS. Annunziata

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase assessed as reduction in dopachrome production using L-DOPA as substrate after 5 mins by spectrophotometric analysi...


Eur J Med Chem 178: 380-389 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.019
BindingDB Entry DOI: 10.7270/Q2G44TMV
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50515013
PNG
(CHEMBL4514324)
Show SMILES Fc1ccc(CN2CCN(CC2)C(=O)c2cccc(Br)c2)cc1
Show InChI InChI=1S/C18H18BrFN2O/c19-16-3-1-2-15(12-16)18(23)22-10-8-21(9-11-22)13-14-4-6-17(20)7-5-14/h1-7,12H,8-11,13H2
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n/an/a 2.40E+3n/an/an/an/an/an/a



Polo Universitario SS. Annunziata

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase assessed as reduction in dopachrome production using L-DOPA as substrate after 5 mins by spectrophotometric analysi...


Eur J Med Chem 178: 380-389 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.019
BindingDB Entry DOI: 10.7270/Q2G44TMV
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50515015
PNG
(CHEMBL4470032)
Show SMILES Fc1ccc(CN2CCN(CC2)C(=O)c2ccccc2Cl)cc1
Show InChI InChI=1S/C18H18ClFN2O/c19-17-4-2-1-3-16(17)18(23)22-11-9-21(10-12-22)13-14-5-7-15(20)8-6-14/h1-8H,9-13H2
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n/an/a 3.12E+3n/an/an/an/an/an/a



Polo Universitario SS. Annunziata

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase assessed as reduction in dopachrome production using L-DOPA as substrate after 5 mins by spectrophotometric analysi...


Eur J Med Chem 178: 380-389 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.019
BindingDB Entry DOI: 10.7270/Q2G44TMV
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50515010
PNG
(CHEMBL4526525)
Show SMILES Fc1ccc(CN2CCN(CC2)C(=O)c2ccc(cc2)C(F)(F)F)cc1
Show InChI InChI=1S/C19H18F4N2O/c20-17-7-1-14(2-8-17)13-24-9-11-25(12-10-24)18(26)15-3-5-16(6-4-15)19(21,22)23/h1-8H,9-13H2
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n/an/a 3.38E+3n/an/an/an/an/an/a



Polo Universitario SS. Annunziata

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase assessed as reduction in dopachrome production using L-DOPA as substrate after 5 mins by spectrophotometric analysi...


Eur J Med Chem 178: 380-389 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.019
BindingDB Entry DOI: 10.7270/Q2G44TMV
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50515018
PNG
(CHEMBL4551070)
Show SMILES Cc1ccc(C(=O)N2CCN(Cc3ccc(F)cc3)CC2)c(C)c1
Show InChI InChI=1S/C20H23FN2O/c1-15-3-8-19(16(2)13-15)20(24)23-11-9-22(10-12-23)14-17-4-6-18(21)7-5-17/h3-8,13H,9-12,14H2,1-2H3
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n/an/a 3.43E+3n/an/an/an/an/an/a



Polo Universitario SS. Annunziata

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase assessed as reduction in dopachrome production using L-DOPA as substrate after 5 mins by spectrophotometric analysi...


Eur J Med Chem 178: 380-389 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.019
BindingDB Entry DOI: 10.7270/Q2G44TMV
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50515001
PNG
(CHEMBL4439852)
Show SMILES Fc1ccc(CN2CCN(CC2)C(=O)c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C18H18ClFN2O/c19-16-5-3-15(4-6-16)18(23)22-11-9-21(10-12-22)13-14-1-7-17(20)8-2-14/h1-8H,9-13H2
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n/an/a 3.51E+3n/an/an/an/an/an/a



Polo Universitario SS. Annunziata

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase assessed as reduction in dopachrome production using L-DOPA as substrate after 5 mins by spectrophotometric analysi...


Eur J Med Chem 178: 380-389 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.019
BindingDB Entry DOI: 10.7270/Q2G44TMV
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50515017
PNG
(CHEMBL4438213)
Show SMILES [O-][N+](=O)c1cccc(c1)C(=O)N1CCN(Cc2ccc(F)cc2)CC1
Show InChI InChI=1S/C18H18FN3O3/c19-16-6-4-14(5-7-16)13-20-8-10-21(11-9-20)18(23)15-2-1-3-17(12-15)22(24)25/h1-7,12H,8-11,13H2
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n/an/a 3.60E+3n/an/an/an/an/an/a



Polo Universitario SS. Annunziata

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase assessed as reduction in dopachrome production using L-DOPA as substrate after 5 mins by spectrophotometric analysi...


Eur J Med Chem 178: 380-389 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.019
BindingDB Entry DOI: 10.7270/Q2G44TMV
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50515002
PNG
(CHEMBL4587277)
Show SMILES Nc1ccc(C(=O)N2CCN(Cc3ccc(F)cc3)CC2)c(N)c1
Show InChI InChI=1S/C18H21FN4O/c19-14-3-1-13(2-4-14)12-22-7-9-23(10-8-22)18(24)16-6-5-15(20)11-17(16)21/h1-6,11H,7-10,12,20-21H2
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n/an/a 3.67E+3n/an/an/an/an/an/a



Polo Universitario SS. Annunziata

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase assessed as reduction in dopachrome production using L-DOPA as substrate after 5 mins by spectrophotometric analysi...


Eur J Med Chem 178: 380-389 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.019
BindingDB Entry DOI: 10.7270/Q2G44TMV
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50452909
PNG
(CHEMBL4204385)
Show SMILES Fc1ccc(CN2CCN(CC2)C(=O)c2ccccc2F)cc1
Show InChI InChI=1S/C18H18F2N2O/c19-15-7-5-14(6-8-15)13-21-9-11-22(12-10-21)18(23)16-3-1-2-4-17(16)20/h1-8H,9-13H2
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n/an/a 3.75E+3n/an/an/an/an/an/a



Universit� di Messina

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase diphenolase activity using L-DOPA as substrate preincubated with substrate for 10 mins followed by protein addition...


J Med Chem 61: 3908-3917 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01745
BindingDB Entry DOI: 10.7270/Q2V127DR
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50515016
PNG
(CHEMBL4588570)
Show SMILES Nc1cccc(c1)C(=O)N1CCN(Cc2ccc(F)cc2)CC1
Show InChI InChI=1S/C18H20FN3O/c19-16-6-4-14(5-7-16)13-21-8-10-22(11-9-21)18(23)15-2-1-3-17(20)12-15/h1-7,12H,8-11,13,20H2
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n/an/a 3.81E+3n/an/an/an/an/an/a



Polo Universitario SS. Annunziata

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase assessed as reduction in dopachrome production using L-DOPA as substrate after 5 mins by spectrophotometric analysi...


Eur J Med Chem 178: 380-389 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.019
BindingDB Entry DOI: 10.7270/Q2G44TMV
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50515012
PNG
(CHEMBL4527006)
Show SMILES Fc1ccc(CN2CCN(CC2)C(=O)c2ccc(Br)cc2)cc1
Show InChI InChI=1S/C18H18BrFN2O/c19-16-5-3-15(4-6-16)18(23)22-11-9-21(10-12-22)13-14-1-7-17(20)8-2-14/h1-8H,9-13H2
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n/an/a 4.61E+3n/an/an/an/an/an/a



Polo Universitario SS. Annunziata

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase assessed as reduction in dopachrome production using L-DOPA as substrate after 5 mins by spectrophotometric analysi...


Eur J Med Chem 178: 380-389 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.019
BindingDB Entry DOI: 10.7270/Q2G44TMV
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50452910
PNG
(CHEMBL4214383)
Show SMILES Cc1ccccc1C(=O)N1CCN(Cc2ccc(F)cc2)CC1
Show InChI InChI=1S/C19H21FN2O/c1-15-4-2-3-5-18(15)19(23)22-12-10-21(11-13-22)14-16-6-8-17(20)9-7-16/h2-9H,10-14H2,1H3
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n/an/a 5.25E+3n/an/an/an/an/an/a



Universit� di Messina

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase diphenolase activity using L-DOPA as substrate preincubated with substrate for 10 mins followed by protein addition...


J Med Chem 61: 3908-3917 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01745
BindingDB Entry DOI: 10.7270/Q2V127DR
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50515014
PNG
(CHEMBL4483604)
Show SMILES Fc1ccc(CN2CCN(CC2)C(=O)c2cccc(Cl)c2)cc1
Show InChI InChI=1S/C18H18ClFN2O/c19-16-3-1-2-15(12-16)18(23)22-10-8-21(9-11-22)13-14-4-6-17(20)7-5-14/h1-7,12H,8-11,13H2
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n/an/a 5.30E+3n/an/an/an/an/an/a



Polo Universitario SS. Annunziata

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase assessed as reduction in dopachrome production using L-DOPA as substrate after 5 mins by spectrophotometric analysi...


Eur J Med Chem 178: 380-389 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.019
BindingDB Entry DOI: 10.7270/Q2G44TMV
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50452913
PNG
(CHEMBL4217985)
Show SMILES Oc1ccccc1C(=O)N1CCN(Cc2ccc(F)cc2)CC1
Show InChI InChI=1S/C18H19FN2O2/c19-15-7-5-14(6-8-15)13-20-9-11-21(12-10-20)18(23)16-3-1-2-4-17(16)22/h1-8,22H,9-13H2
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n/an/a 7.06E+3n/an/an/an/an/an/a



Universit� di Messina

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase diphenolase activity using L-DOPA as substrate preincubated with substrate for 10 mins followed by protein addition...


J Med Chem 61: 3908-3917 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01745
BindingDB Entry DOI: 10.7270/Q2V127DR
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50452922
PNG
(CHEMBL4207788)
Show SMILES Fc1ccc(CN2CCN(CC2)C(=O)c2ccc(F)cc2)cc1
Show InChI InChI=1S/C18H18F2N2O/c19-16-5-1-14(2-6-16)13-21-9-11-22(12-10-21)18(23)15-3-7-17(20)8-4-15/h1-8H,9-13H2
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n/an/a 7.77E+3n/an/an/an/an/an/a



Universit� di Messina

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase diphenolase activity using L-DOPA as substrate preincubated with substrate for 10 mins followed by protein addition...


J Med Chem 61: 3908-3917 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01745
BindingDB Entry DOI: 10.7270/Q2V127DR
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50515019
PNG
(CHEMBL4561704)
Show SMILES Fc1ccc(CN2CCN(CC2)C(=O)c2cccc(c2)C(F)(F)F)cc1
Show InChI InChI=1S/C19H18F4N2O/c20-17-6-4-14(5-7-17)13-24-8-10-25(11-9-24)18(26)15-2-1-3-16(12-15)19(21,22)23/h1-7,12H,8-11,13H2
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n/an/a 8.43E+3n/an/an/an/an/an/a



Polo Universitario SS. Annunziata

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase assessed as reduction in dopachrome production using L-DOPA as substrate after 5 mins by spectrophotometric analysi...


Eur J Med Chem 178: 380-389 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.019
BindingDB Entry DOI: 10.7270/Q2G44TMV
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50452920
PNG
(CHEMBL4206277)
Show SMILES COc1ccc(cc1)C(=O)N1CCN(Cc2ccc(F)cc2)CC1
Show InChI InChI=1S/C19H21FN2O2/c1-24-18-8-4-16(5-9-18)19(23)22-12-10-21(11-13-22)14-15-2-6-17(20)7-3-15/h2-9H,10-14H2,1H3
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n/an/a 9.14E+3n/an/an/an/an/an/a



Universit� di Messina

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase diphenolase activity using L-DOPA as substrate preincubated with substrate for 10 mins followed by protein addition...


J Med Chem 61: 3908-3917 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01745
BindingDB Entry DOI: 10.7270/Q2V127DR
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50515000
PNG
(CHEMBL4466098)
Show SMILES Nc1ccccc1C(=O)N1CCN(Cc2ccc(F)cc2)CC1
Show InChI InChI=1S/C18H20FN3O/c19-15-7-5-14(6-8-15)13-21-9-11-22(12-10-21)18(23)16-3-1-2-4-17(16)20/h1-8H,9-13,20H2
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n/an/a 1.09E+4n/an/an/an/an/an/a



Polo Universitario SS. Annunziata

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase assessed as reduction in dopachrome production using L-DOPA as substrate after 5 mins by spectrophotometric analysi...


Eur J Med Chem 178: 380-389 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.019
BindingDB Entry DOI: 10.7270/Q2G44TMV
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50452914
PNG
(CHEMBL4216024)
Show SMILES Oc1cccc(c1)C(=O)N1CCN(Cc2ccc(F)cc2)CC1
Show InChI InChI=1S/C18H19FN2O2/c19-16-6-4-14(5-7-16)13-20-8-10-21(11-9-20)18(23)15-2-1-3-17(22)12-15/h1-7,12,22H,8-11,13H2
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n/an/a 1.26E+4n/an/an/an/an/an/a



Universit� di Messina

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase diphenolase activity using L-DOPA as substrate preincubated with substrate for 10 mins followed by protein addition...


J Med Chem 61: 3908-3917 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01745
BindingDB Entry DOI: 10.7270/Q2V127DR
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50452918
PNG
(CHEMBL4216581)
Show SMILES Fc1ccc(CN2CCN(CC2)C(=O)c2ccccc2)cc1
Show InChI InChI=1S/C18H19FN2O/c19-17-8-6-15(7-9-17)14-20-10-12-21(13-11-20)18(22)16-4-2-1-3-5-16/h1-9H,10-14H2
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n/an/a 1.33E+4n/an/an/an/an/an/a



Universit� di Messina

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase diphenolase activity using L-DOPA as substrate preincubated with substrate for 10 mins followed by protein addition...


J Med Chem 61: 3908-3917 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01745
BindingDB Entry DOI: 10.7270/Q2V127DR
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50514998
PNG
(CHEMBL4451734)
Show SMILES Nc1ccc(cc1)C(=O)N1CCN(Cc2ccc(F)cc2)CC1
Show InChI InChI=1S/C18H20FN3O/c19-16-5-1-14(2-6-16)13-21-9-11-22(12-10-21)18(23)15-3-7-17(20)8-4-15/h1-8H,9-13,20H2
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n/an/a 1.47E+4n/an/an/an/an/an/a



Polo Universitario SS. Annunziata

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase assessed as reduction in dopachrome production using L-DOPA as substrate after 5 mins by spectrophotometric analysi...


Eur J Med Chem 178: 380-389 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.019
BindingDB Entry DOI: 10.7270/Q2G44TMV
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50031467
PNG
(5-HYDROXY-2-(HYDROXYMETHYL)-4H-PYRAN-4-ONE | 5-Hyd...)
Show SMILES OCc1cc(=O)c(O)co1
Show InChI InChI=1S/C6H6O4/c7-2-4-1-5(8)6(9)3-10-4/h1,3,7,9H,2H2
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n/an/a 1.78E+4n/an/an/an/an/an/a



Polo Universitario SS. Annunziata

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase assessed as reduction in dopachrome production using L-DOPA as substrate after 5 mins by spectrophotometric analysi...


Eur J Med Chem 178: 380-389 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.019
BindingDB Entry DOI: 10.7270/Q2G44TMV
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50031467
PNG
(5-HYDROXY-2-(HYDROXYMETHYL)-4H-PYRAN-4-ONE | 5-Hyd...)
Show SMILES OCc1cc(=O)c(O)co1
Show InChI InChI=1S/C6H6O4/c7-2-4-1-5(8)6(9)3-10-4/h1,3,7,9H,2H2
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Universit� di Messina

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase diphenolase activity using L-DOPA as substrate preincubated with substrate for 10 mins followed by protein addition...


J Med Chem 61: 3908-3917 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01745
BindingDB Entry DOI: 10.7270/Q2V127DR
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50452906
PNG
(CHEMBL4207307)
Show SMILES Fc1ccc(CC2CCN(CC2)C(=O)c2ccccc2)cc1
Show InChI InChI=1S/C19H20FNO/c20-18-8-6-15(7-9-18)14-16-10-12-21(13-11-16)19(22)17-4-2-1-3-5-17/h1-9,16H,10-14H2
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n/an/a 1.95E+4n/an/an/an/an/an/a



Universit� di Messina

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase diphenolase activity using L-DOPA as substrate preincubated with substrate for 10 mins followed by protein addition...


J Med Chem 61: 3908-3917 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01745
BindingDB Entry DOI: 10.7270/Q2V127DR
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50452905
PNG
(CHEMBL4202959)
Show SMILES CCC(=O)N1CCC(Cc2ccc(F)cc2)CC1
Show InChI InChI=1S/C15H20FNO/c1-2-15(18)17-9-7-13(8-10-17)11-12-3-5-14(16)6-4-12/h3-6,13H,2,7-11H2,1H3
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n/an/a 2.41E+4n/an/an/an/an/an/a



Universit� di Messina

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase diphenolase activity using L-DOPA as substrate preincubated with substrate for 10 mins followed by protein addition...


J Med Chem 61: 3908-3917 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01745
BindingDB Entry DOI: 10.7270/Q2V127DR
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50452902
PNG
(CHEMBL4212506)
Show SMILES CC(=O)N1CCC(Cc2ccc(F)cc2)CC1
Show InChI InChI=1S/C14H18FNO/c1-11(17)16-8-6-13(7-9-16)10-12-2-4-14(15)5-3-12/h2-5,13H,6-10H2,1H3
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n/an/a 2.51E+4n/an/an/an/an/an/a



Universit� di Messina

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase diphenolase activity using L-DOPA as substrate preincubated with substrate for 10 mins followed by protein addition...


J Med Chem 61: 3908-3917 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01745
BindingDB Entry DOI: 10.7270/Q2V127DR
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50452916
PNG
(CHEMBL4210485)
Show SMILES COc1cccc(c1)C(=O)N1CCN(Cc2ccc(F)cc2)CC1
Show InChI InChI=1S/C19H21FN2O2/c1-24-18-4-2-3-16(13-18)19(23)22-11-9-21(10-12-22)14-15-5-7-17(20)8-6-15/h2-8,13H,9-12,14H2,1H3
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n/an/a 2.70E+4n/an/an/an/an/an/a



Universit� di Messina

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase diphenolase activity using L-DOPA as substrate preincubated with substrate for 10 mins followed by protein addition...


J Med Chem 61: 3908-3917 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01745
BindingDB Entry DOI: 10.7270/Q2V127DR
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50452904
PNG
(CHEMBL4213598)
Show SMILES Oc1ccc(cc1)C(=O)N1CCN(Cc2ccc(F)cc2)CC1
Show InChI InChI=1S/C18H19FN2O2/c19-16-5-1-14(2-6-16)13-20-9-11-21(12-10-20)18(23)15-3-7-17(22)8-4-15/h1-8,22H,9-13H2
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n/an/a 2.74E+4n/an/an/an/an/an/a



Universit� di Messina

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase diphenolase activity using L-DOPA as substrate preincubated with substrate for 10 mins followed by protein addition...


J Med Chem 61: 3908-3917 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01745
BindingDB Entry DOI: 10.7270/Q2V127DR
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50452903
PNG
(CHEMBL4216123)
Show SMILES CC(C)C(=O)N1CCN(Cc2ccc(F)cc2)CC1
Show InChI InChI=1S/C15H21FN2O/c1-12(2)15(19)18-9-7-17(8-10-18)11-13-3-5-14(16)6-4-13/h3-6,12H,7-11H2,1-2H3
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n/an/a 3.09E+4n/an/an/an/an/an/a



Universit� di Messina

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase diphenolase activity using L-DOPA as substrate preincubated with substrate for 10 mins followed by protein addition...


J Med Chem 61: 3908-3917 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01745
BindingDB Entry DOI: 10.7270/Q2V127DR
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50452911
PNG
(CHEMBL4207492)
Show SMILES Cc1ccc(cc1)C(=O)N1CCN(Cc2ccc(F)cc2)CC1
Show InChI InChI=1S/C19H21FN2O/c1-15-2-6-17(7-3-15)19(23)22-12-10-21(11-13-22)14-16-4-8-18(20)9-5-16/h2-9H,10-14H2,1H3
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n/an/a 3.31E+4n/an/an/an/an/an/a



Universit� di Messina

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase diphenolase activity using L-DOPA as substrate preincubated with substrate for 10 mins followed by protein addition...


J Med Chem 61: 3908-3917 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01745
BindingDB Entry DOI: 10.7270/Q2V127DR
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50452917
PNG
(CHEMBL4212198)
Show SMILES CC(C)C(=O)N1CCC(Cc2ccc(F)cc2)CC1
Show InChI InChI=1S/C16H22FNO/c1-12(2)16(19)18-9-7-14(8-10-18)11-13-3-5-15(17)6-4-13/h3-6,12,14H,7-11H2,1-2H3
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n/an/a 3.53E+4n/an/an/an/an/an/a



Universit� di Messina

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase diphenolase activity using L-DOPA as substrate preincubated with substrate for 10 mins followed by protein addition...


J Med Chem 61: 3908-3917 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01745
BindingDB Entry DOI: 10.7270/Q2V127DR
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50452908
PNG
(CHEMBL4211662)
Show SMILES CC(=O)N1CCN(Cc2ccc(F)cc2)CC1
Show InChI InChI=1S/C13H17FN2O/c1-11(17)16-8-6-15(7-9-16)10-12-2-4-13(14)5-3-12/h2-5H,6-10H2,1H3
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n/an/a 4.59E+4n/an/an/an/an/an/a



Universit� di Messina

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase diphenolase activity using L-DOPA as substrate preincubated with substrate for 10 mins followed by protein addition...


J Med Chem 61: 3908-3917 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01745
BindingDB Entry DOI: 10.7270/Q2V127DR
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50452915
PNG
(CHEMBL4204455)
Show SMILES CCC(=O)N1CCN(Cc2ccc(F)cc2)CC1
Show InChI InChI=1S/C14H19FN2O/c1-2-14(18)17-9-7-16(8-10-17)11-12-3-5-13(15)6-4-12/h3-6H,2,7-11H2,1H3
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n/an/a 5.11E+4n/an/an/an/an/an/a



Universit� di Messina

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase diphenolase activity using L-DOPA as substrate preincubated with substrate for 10 mins followed by protein addition...


J Med Chem 61: 3908-3917 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01745
BindingDB Entry DOI: 10.7270/Q2V127DR
More data for this
Ligand-Target Pair
Tyrosinase


(Bacillus megaterium)
BDBM50031467
PNG
(5-HYDROXY-2-(HYDROXYMETHYL)-4H-PYRAN-4-ONE | 5-Hyd...)
Show SMILES OCc1cc(=O)c(O)co1
Show InChI InChI=1S/C6H6O4/c7-2-4-1-5(8)6(9)3-10-4/h1,3,7,9H,2H2
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n/an/a 5.20E+4n/an/an/an/an/an/a



Universit� di Messina

Curated by ChEMBL


Assay Description
Inhibition of Bacillus megaterium tyrosinase diphenolase activity using L-DOPA as substrate by spectrophotometric method


J Med Chem 61: 3908-3917 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01745
BindingDB Entry DOI: 10.7270/Q2V127DR
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50452919
PNG
(CHEMBL4209258)
Show SMILES Fc1ccc(CN2CCN(CC2)C(=O)c2cccc(F)c2)cc1
Show InChI InChI=1S/C18H18F2N2O/c19-16-6-4-14(5-7-16)13-21-8-10-22(11-9-21)18(23)15-2-1-3-17(20)12-15/h1-7,12H,8-11,13H2
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UniChem
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n/an/a 5.47E+4n/an/an/an/an/an/a



Universit� di Messina

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase diphenolase activity using L-DOPA as substrate preincubated with substrate for 10 mins followed by protein addition...


J Med Chem 61: 3908-3917 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01745
BindingDB Entry DOI: 10.7270/Q2V127DR
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50452907
PNG
(CHEMBL4216642)
Show SMILES Fc1ccc(CN2CCNCC2)cc1
Show InChI InChI=1S/C11H15FN2/c12-11-3-1-10(2-4-11)9-14-7-5-13-6-8-14/h1-4,13H,5-9H2
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UniChem
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n/an/a 8.55E+4n/an/an/an/an/an/a



Universit� di Messina

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase diphenolase activity using L-DOPA as substrate preincubated with substrate for 10 mins followed by protein addition...


J Med Chem 61: 3908-3917 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01745
BindingDB Entry DOI: 10.7270/Q2V127DR
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50452921
PNG
(CHEMBL4212134)
Show SMILES Cc1cccc(c1)C(=O)N1CCN(Cc2ccc(F)cc2)CC1
Show InChI InChI=1S/C19H21FN2O/c1-15-3-2-4-17(13-15)19(23)22-11-9-21(10-12-22)14-16-5-7-18(20)8-6-16/h2-8,13H,9-12,14H2,1H3
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UniChem
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n/an/a 1.74E+5n/an/an/an/an/an/a



Universit� di Messina

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase diphenolase activity using L-DOPA as substrate preincubated with substrate for 10 mins followed by protein addition...


J Med Chem 61: 3908-3917 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01745
BindingDB Entry DOI: 10.7270/Q2V127DR
More data for this
Ligand-Target Pair
Caveolin-1


(Homo sapiens (Human))
BDBM50172458
PNG
(CHEMBL3809899)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C191H302N50O62S3/c1-18-98(13)153(239-180(292)129(77-96(9)10)229-184(296)137(89-244)236-178(290)132(82-104-85-203-92-207-104)233-188(300)154(99(14)19-2)240-181(293)130(78-97(11)12)230-185(297)138(90-245)237-189(301)155(100(15)246)241-156(268)107(195)79-102-40-42-105(247)43-41-102)187(299)225-123(54-65-152(266)267)168(280)218-122(53-64-151(264)265)172(284)235-136(88-243)183(295)222-116(47-58-143(199)251)169(281)232-133(83-144(200)252)179(291)220-115(46-57-142(198)250)164(276)214-114(45-56-141(197)249)163(275)217-118(49-60-147(256)257)165(277)209-109(36-25-28-68-192)158(270)213-113(44-55-140(196)248)162(274)216-117(48-59-146(254)255)166(278)210-110(37-26-29-69-193)159(271)215-120(51-62-149(260)261)170(282)227-128(76-95(7)8)177(289)223-124(66-72-305-16)173(285)219-121(52-63-150(262)263)171(283)226-127(75-94(5)6)176(288)221-119(50-61-148(258)259)167(279)211-112(39-31-71-204-191(201)202)160(272)231-131(81-103-84-205-108-35-24-23-34-106(103)108)157(269)206-86-145(253)208-135(87-242)182(294)224-125(67-73-306-17)174(286)228-126(74-93(3)4)175(287)212-111(38-27-30-70-194)161(273)238-139(91-304)186(298)234-134(190(302)303)80-101-32-21-20-22-33-101/h20-24,32-35,40-43,84-85,92-100,107,109-139,153-155,205,242-247,304H,18-19,25-31,36-39,44-83,86-91,192-195H2,1-17H3,(H2,196,248)(H2,197,249)(H2,198,250)(H2,199,251)(H2,200,252)(H,203,207)(H,206,269)(H,208,253)(H,209,277)(H,210,278)(H,211,279)(H,212,287)(H,213,270)(H,214,276)(H,215,271)(H,216,274)(H,217,275)(H,218,280)(H,219,285)(H,220,291)(H,221,288)(H,222,295)(H,223,289)(H,224,294)(H,225,299)(H,226,283)(H,227,282)(H,228,286)(H,229,296)(H,230,297)(H,231,272)(H,232,281)(H,233,300)(H,234,298)(H,235,284)(H,236,290)(H,237,301)(H,238,273)(H,239,292)(H,240,293)(H,241,268)(H,254,255)(H,256,257)(H,258,259)(H,260,261)(H,262,263)(H,264,265)(H,266,267)(H,302,303)(H4,201,202,204)/t98-,99-,100+,107-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,153-,154-,155-/m0/s1
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PubMed
n/an/an/a>155n/an/an/an/an/a



University of California at Irvine

Curated by ChEMBL


Assay Description
Binding affinity to human CAV (1 to 104 residues) expressed in Escherichia coli BL21-DE3 by isothermal titration calorimetric analysis


J Med Chem 59: 4019-25 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01536
BindingDB Entry DOI: 10.7270/Q2V69MH1
More data for this
Ligand-Target Pair