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PubMed code 19181523

Compile data set for download or QSAR
Found 8 hits of Enzyme Inhibition Constant Data   
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))
BDBM50248158
PNG
(CHEMBL450195 | N-butylresorcinol | US8993596, 4-Bu...)
Show SMILES CCCCc1ccc(O)cc1O
Show InChI InChI=1S/C10H14O2/c1-2-3-4-8-5-6-9(11)7-10(8)12/h5-7,11-12H,2-4H2,1H3
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n/an/a 150n/an/an/an/an/an/a



AmorePacific Corporation

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase activity after 20 mins


Bioorg Med Chem Lett 19: 1532-3 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.106
BindingDB Entry DOI: 10.7270/Q2KK9BNT
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50248201
PNG
(4-adamantyl resorcinol | CHEMBL474953)
Show SMILES Oc1ccc(c(O)c1)C12CC3CC(CC(C3)C1)C2 |TLB:11:12:10.9.15:16,THB:13:12:9:15.14.16,13:14:11.12.17:9,11:10:12.17.13:16|
Show InChI InChI=1S/C16H20O2/c17-13-1-2-14(15(18)6-13)16-7-10-3-11(8-16)5-12(4-10)9-16/h1-2,6,10-12,17-18H,3-5,7-9H2
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n/an/a 900n/an/an/an/an/an/a



AmorePacific Corporation

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase activity after 20 mins


Bioorg Med Chem Lett 19: 1532-3 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.106
BindingDB Entry DOI: 10.7270/Q2KK9BNT
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM26190
PNG
(1,4-Dihydroxybenzene, XIII | 1,4-dihydroxybenzene ...)
Show SMILES Oc1ccc(O)cc1
Show InChI InChI=1S/C6H6O2/c7-5-1-2-6(8)4-3-5/h1-4,7-8H
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n/an/a 9.81E+3n/an/an/an/an/an/a



AmorePacific Corporation

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase activity after 20 mins


Bioorg Med Chem Lett 19: 1532-3 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.106
BindingDB Entry DOI: 10.7270/Q2KK9BNT
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50248202
PNG
(CHEMBL474951 | N-Adamantan-1-yl-2,4-dihydroxy-benz...)
Show SMILES Oc1ccc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(O)c1 |TLB:11:12:10.9.15:16,THB:13:12:9:15.14.16,13:14:11.12.17:9,11:10:12.17.13:16|
Show InChI InChI=1S/C17H21NO3/c19-13-1-2-14(15(20)6-13)16(21)18-17-7-10-3-11(8-17)5-12(4-10)9-17/h1-2,6,10-12,19-20H,3-5,7-9H2,(H,18,21)
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n/an/a>2.00E+5n/an/an/an/an/an/a



AmorePacific Corporation

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase activity after 20 mins


Bioorg Med Chem Lett 19: 1532-3 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.106
BindingDB Entry DOI: 10.7270/Q2KK9BNT
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50248206
PNG
(CHEMBL516395 | N-Adamantan-1-yl-2,3-dihydroxy-benz...)
Show SMILES Oc1cccc(C(=O)NC23CC4CC(CC(C4)C2)C3)c1O |TLB:12:13:11.10.16:17,THB:14:13:10:16.15.17,14:15:12.13.18:10,12:11:13.18.14:17|
Show InChI InChI=1S/C17H21NO3/c19-14-3-1-2-13(15(14)20)16(21)18-17-7-10-4-11(8-17)6-12(5-10)9-17/h1-3,10-12,19-20H,4-9H2,(H,18,21)
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n/an/a>2.00E+5n/an/an/an/an/an/a



AmorePacific Corporation

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase activity after 20 mins


Bioorg Med Chem Lett 19: 1532-3 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.106
BindingDB Entry DOI: 10.7270/Q2KK9BNT
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50248203
PNG
(CHEMBL474952 | N-Adamantan-1-yl-3,5-dihydroxy-benz...)
Show SMILES Oc1cc(O)cc(c1)C(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:14:15:13.12.18:19,THB:16:15:12:18.17.19,16:17:14.15.20:12,14:13:15.20.16:19|
Show InChI InChI=1S/C17H21NO3/c19-14-4-13(5-15(20)6-14)16(21)18-17-7-10-1-11(8-17)3-12(2-10)9-17/h4-6,10-12,19-20H,1-3,7-9H2,(H,18,21)
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n/an/a>2.00E+5n/an/an/an/an/an/a



AmorePacific Corporation

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase activity after 20 mins


Bioorg Med Chem Lett 19: 1532-3 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.106
BindingDB Entry DOI: 10.7270/Q2KK9BNT
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50248204
PNG
(CHEMBL514970 | N-Adamantan-1-yl-2,5-dihydroxy-benz...)
Show SMILES Oc1ccc(O)c(c1)C(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:14:15:13.12.18:19,THB:16:15:12:18.17.19,16:17:14.15.20:12,14:13:15.20.16:19|
Show InChI InChI=1S/C17H21NO3/c19-13-1-2-15(20)14(6-13)16(21)18-17-7-10-3-11(8-17)5-12(4-10)9-17/h1-2,6,10-12,19-20H,3-5,7-9H2,(H,18,21)
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n/an/a>2.00E+5n/an/an/an/an/an/a



AmorePacific Corporation

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase activity after 20 mins


Bioorg Med Chem Lett 19: 1532-3 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.106
BindingDB Entry DOI: 10.7270/Q2KK9BNT
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50248205
PNG
(CHEMBL474954 | N-Adamantan-1-yl-3,4-dihydroxy-benz...)
Show SMILES Oc1ccc(cc1O)C(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:14:15:13.12.18:19,THB:16:15:12:18.17.19,16:17:14.15.20:12,14:13:15.20.16:19|
Show InChI InChI=1S/C17H21NO3/c19-14-2-1-13(6-15(14)20)16(21)18-17-7-10-3-11(8-17)5-12(4-10)9-17/h1-2,6,10-12,19-20H,3-5,7-9H2,(H,18,21)
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n/an/a>2.00E+5n/an/an/an/an/an/a



AmorePacific Corporation

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase activity after 20 mins


Bioorg Med Chem Lett 19: 1532-3 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.106
BindingDB Entry DOI: 10.7270/Q2KK9BNT
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%