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Compile Data Set for Download or QSAR

Found 10 hits with Last Name = 'piechowska' and Initial = 'k'   
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))
BDBM50513186
PNG
(CHEMBL4588381)
Show SMILES [H][C@]12CC[C@]([H])(C\C(C1)=N/Nc1nc(cs1)-c1ccc(Cl)c(Cl)c1)N2C |r,TLB:9:7:24:2.3|
Show InChI InChI=1S/C17H18Cl2N4S/c1-23-12-3-4-13(23)8-11(7-12)21-22-17-20-16(9-24-17)10-2-5-14(18)15(19)6-10/h2,5-6,9,12-13H,3-4,7-8H2,1H3,(H,20,22)/b21-11-/t12-,13+/m0/s1
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n/an/a 3.22E+3n/an/an/an/an/an/a



Nicolaus Copernicus University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase using L-dopa as substrate incubated for 30 mins by spectrophotometric method


Eur J Med Chem 175: 162-171 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.006
BindingDB Entry DOI: 10.7270/Q2794815
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50513187
PNG
(CHEMBL4583240)
Show SMILES [H][C@]12CC[C@]([H])(C\C(C1)=N/Nc1nc(cs1)-c1ccc(Cl)cc1Cl)N2C |r,TLB:9:7:24:2.3|
Show InChI InChI=1S/C17H18Cl2N4S/c1-23-12-3-4-13(23)8-11(7-12)21-22-17-20-16(9-24-17)14-5-2-10(18)6-15(14)19/h2,5-6,9,12-13H,3-4,7-8H2,1H3,(H,20,22)/b21-11-/t12-,13+/m0/s1
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n/an/a 3.51E+3n/an/an/an/an/an/a



Nicolaus Copernicus University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase using L-dopa as substrate incubated for 30 mins by spectrophotometric method


Eur J Med Chem 175: 162-171 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.006
BindingDB Entry DOI: 10.7270/Q2794815
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50513185
PNG
(CHEMBL4463818)
Show SMILES [H][C@]12CC[C@]([H])(C\C(C1)=N/Nc1nc(cs1)-c1ccc(cc1)C(F)(F)F)N2C |r,TLB:9:7:26:2.3|
Show InChI InChI=1S/C18H19F3N4S/c1-25-14-6-7-15(25)9-13(8-14)23-24-17-22-16(10-26-17)11-2-4-12(5-3-11)18(19,20)21/h2-5,10,14-15H,6-9H2,1H3,(H,22,24)/b23-13-/t14-,15+/m0/s1
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n/an/a 3.37E+4n/an/an/an/an/an/a



Nicolaus Copernicus University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase using L-dopa as substrate incubated for 30 mins by spectrophotometric method


Eur J Med Chem 175: 162-171 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.006
BindingDB Entry DOI: 10.7270/Q2794815
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 7.23E+4n/an/an/an/an/an/a



Nicolaus Copernicus University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase using L-dopa as substrate incubated for 30 mins by spectrophotometric method


Eur J Med Chem 175: 162-171 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.006
BindingDB Entry DOI: 10.7270/Q2794815
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50513188
PNG
(CHEMBL4453112)
Show SMILES [H][C@]12CC[C@]([H])(C\C(C1)=N/Nc1nc(cs1)-c1ccc(cc1)N=[N+]=[N-])N2C |r,TLB:9:7:25:2.3|
Show InChI InChI=1S/C17H19N7S/c1-24-14-6-7-15(24)9-13(8-14)20-22-17-19-16(10-25-17)11-2-4-12(5-3-11)21-23-18/h2-5,10,14-15H,6-9H2,1H3,(H,19,22)/b20-13-/t14-,15+/m0/s1
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n/an/a 7.23E+4n/an/an/an/an/an/a



Nicolaus Copernicus University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase using L-dopa as substrate incubated for 30 mins by spectrophotometric method


Eur J Med Chem 175: 162-171 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.006
BindingDB Entry DOI: 10.7270/Q2794815
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50513183
PNG
(CHEMBL4473661)
Show SMILES [H][C@]12CC[C@]([H])(C\C(C1)=N/Nc1nc(cs1)-c1ccc(Br)cc1)N2C |r,TLB:9:7:23:2.3|
Show InChI InChI=1S/C17H19BrN4S/c1-22-14-6-7-15(22)9-13(8-14)20-21-17-19-16(10-23-17)11-2-4-12(18)5-3-11/h2-5,10,14-15H,6-9H2,1H3,(H,19,21)/b20-13-/t14-,15+/m0/s1
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n/an/a 8.50E+4n/an/an/an/an/an/a



Nicolaus Copernicus University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase using L-dopa as substrate incubated for 30 mins by spectrophotometric method


Eur J Med Chem 175: 162-171 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.006
BindingDB Entry DOI: 10.7270/Q2794815
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50513190
PNG
(CHEMBL4438867)
Show SMILES [H][C@]12CC[C@]([H])(C\C(C1)=N/Nc1nc(cs1)-c1ccc(C)cc1)N2C |r,TLB:9:7:23:2.3|
Show InChI InChI=1S/C18H22N4S/c1-12-3-5-13(6-4-12)17-11-23-18(19-17)21-20-14-9-15-7-8-16(10-14)22(15)2/h3-6,11,15-16H,7-10H2,1-2H3,(H,19,21)/b20-14-/t15-,16+/m0/s1
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n/an/a 1.01E+5n/an/an/an/an/an/a



Nicolaus Copernicus University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase using L-dopa as substrate incubated for 30 mins by spectrophotometric method


Eur J Med Chem 175: 162-171 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.006
BindingDB Entry DOI: 10.7270/Q2794815
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50513189
PNG
(CHEMBL4555931)
Show SMILES [H][C@]12CC[C@]([H])(C\C(C1)=N/Nc1nc(cs1)-c1ccc(F)cc1)N2C |r,TLB:9:7:23:2.3|
Show InChI InChI=1S/C17H19FN4S/c1-22-14-6-7-15(22)9-13(8-14)20-21-17-19-16(10-23-17)11-2-4-12(18)5-3-11/h2-5,10,14-15H,6-9H2,1H3,(H,19,21)/b20-13-/t14-,15+/m0/s1
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n/an/a 1.23E+5n/an/an/an/an/an/a



Nicolaus Copernicus University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase using L-dopa as substrate incubated for 30 mins by spectrophotometric method


Eur J Med Chem 175: 162-171 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.006
BindingDB Entry DOI: 10.7270/Q2794815
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50513184
PNG
(CHEMBL4456453)
Show SMILES [H][C@]12CC[C@]([H])(C\C(C1)=N/Nc1nc(cs1)-c1ccc(Cl)cc1)N2C |r,TLB:9:7:23:2.3|
Show InChI InChI=1S/C17H19ClN4S/c1-22-14-6-7-15(22)9-13(8-14)20-21-17-19-16(10-23-17)11-2-4-12(18)5-3-11/h2-5,10,14-15H,6-9H2,1H3,(H,19,21)/b20-13-/t14-,15+/m0/s1
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n/an/a 1.33E+5n/an/an/an/an/an/a



Nicolaus Copernicus University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase using L-dopa as substrate incubated for 30 mins by spectrophotometric method


Eur J Med Chem 175: 162-171 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.006
BindingDB Entry DOI: 10.7270/Q2794815
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50351096
PNG
(ASCORBIC ACID)
Show SMILES OC[C@H](O)[C@H]1OC(=O)C(=O)C1O |r|
Show InChI InChI=1S/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2-3,5,7-9H,1H2/t2-,3?,5+/m0/s1
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n/an/a 3.87E+5n/an/an/an/an/an/a



Nicolaus Copernicus University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase using L-dopa as substrate incubated for 30 mins by spectrophotometric method


Eur J Med Chem 175: 162-171 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.006
BindingDB Entry DOI: 10.7270/Q2794815
More data for this
Ligand-Target Pair