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PubMed code 20947360

Compile data set for download or QSAR
Found 7 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
Tyrosinase


(Agaricus bisporus (Common mushroom))
BDBM50330795
PNG
(2-hydroxy-5-isopropyl-2,4,6-cycloheptatrien-1-one ...)
Show SMILES CC(C)c1ccc(O)c(=O)cc1
Show InChI InChI=1S/C10H12O2/c1-7(2)8-3-5-9(11)10(12)6-4-8/h3-7H,1-2H3,(H,11,12)
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Article
PubMed
20n/an/an/an/an/an/an/an/a



Institute for Theoretical Medicine, Inc.

Curated by ChEMBL


Assay Description
Competitive inhibition of mushroom tyrosinase after 15 mins by Lineweaver-Bulk plot analysis


Bioorg Med Chem 18: 8112-8 (2010)


Article DOI: 10.1016/j.bmc.2010.08.056
BindingDB Entry DOI: 10.7270/Q2JH3MF5
More data for this
Ligand-Target Pair
Tyrosinase


(Agaricus bisporus (Common mushroom))
BDBM50330794
PNG
(2-Hydroxy-4-isopropyl-cyclohepta-2,4,6-trienone | ...)
Show SMILES CC(C)c1cccc(=O)c(O)c1
Show InChI InChI=1S/C10H12O2/c1-7(2)8-4-3-5-9(11)10(12)6-8/h3-7H,1-2H3,(H,11,12)
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KEGG
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Article
PubMed
60n/an/an/an/an/an/an/an/a



Institute for Theoretical Medicine, Inc.

Curated by ChEMBL


Assay Description
Competitive inhibition of mushroom tyrosinase after 15 mins by Lineweaver-Bulk plot analysis


Bioorg Med Chem 18: 8112-8 (2010)


Article DOI: 10.1016/j.bmc.2010.08.056
BindingDB Entry DOI: 10.7270/Q2JH3MF5
More data for this
Ligand-Target Pair
Tyrosinase


(Agaricus bisporus (Common mushroom))
BDBM50330793
PNG
(2-hydroxy-3-isopropyl-2,4,6-cycloheptatrien-1-one ...)
Show SMILES CC(C)c1ccccc(=O)c1O
Show InChI InChI=1S/C10H12O2/c1-7(2)8-5-3-4-6-9(11)10(8)12/h3-7H,1-2H3,(H,11,12)
UniProtKB/SwissProt

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Article
PubMed
3.30E+3n/an/an/an/an/an/an/an/a



Institute for Theoretical Medicine, Inc.

Curated by ChEMBL


Assay Description
Competitive inhibition of mushroom tyrosinase after 15 mins by Lineweaver-Bulk plot analysis


Bioorg Med Chem 18: 8112-8 (2010)


Article DOI: 10.1016/j.bmc.2010.08.056
BindingDB Entry DOI: 10.7270/Q2JH3MF5
More data for this
Ligand-Target Pair
Tyrosinase


(Agaricus bisporus (Common mushroom))
BDBM50330795
PNG
(2-hydroxy-5-isopropyl-2,4,6-cycloheptatrien-1-one ...)
Show SMILES CC(C)c1ccc(O)c(=O)cc1
Show InChI InChI=1S/C10H12O2/c1-7(2)8-3-5-9(11)10(12)6-4-8/h3-7H,1-2H3,(H,11,12)
UniProtKB/SwissProt

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KEGG
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Article
PubMed
n/an/a 70n/an/an/an/an/an/a



Institute for Theoretical Medicine, Inc.

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase after 15 mins


Bioorg Med Chem 18: 8112-8 (2010)


Article DOI: 10.1016/j.bmc.2010.08.056
BindingDB Entry DOI: 10.7270/Q2JH3MF5
More data for this
Ligand-Target Pair
Tyrosinase


(Agaricus bisporus (Common mushroom))
BDBM50330794
PNG
(2-Hydroxy-4-isopropyl-cyclohepta-2,4,6-trienone | ...)
Show SMILES CC(C)c1cccc(=O)c(O)c1
Show InChI InChI=1S/C10H12O2/c1-7(2)8-4-3-5-9(11)10(12)6-8/h3-7H,1-2H3,(H,11,12)
UniProtKB/SwissProt

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Article
PubMed
n/an/a 90n/an/an/an/an/an/a



Institute for Theoretical Medicine, Inc.

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase after 15 mins


Bioorg Med Chem 18: 8112-8 (2010)


Article DOI: 10.1016/j.bmc.2010.08.056
BindingDB Entry DOI: 10.7270/Q2JH3MF5
More data for this
Ligand-Target Pair
Tyrosinase


(Agaricus bisporus (Common mushroom))
BDBM50330793
PNG
(2-hydroxy-3-isopropyl-2,4,6-cycloheptatrien-1-one ...)
Show SMILES CC(C)c1ccccc(=O)c1O
Show InChI InChI=1S/C10H12O2/c1-7(2)8-5-3-4-6-9(11)10(8)12/h3-7H,1-2H3,(H,11,12)
UniProtKB/SwissProt

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PubMed
n/an/a 9.53E+3n/an/an/an/an/an/a



Institute for Theoretical Medicine, Inc.

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase after 15 mins


Bioorg Med Chem 18: 8112-8 (2010)


Article DOI: 10.1016/j.bmc.2010.08.056
BindingDB Entry DOI: 10.7270/Q2JH3MF5
More data for this
Ligand-Target Pair
Tyrosinase


(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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KEGG
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Article
PubMed
n/an/a 5.37E+4n/an/an/an/an/an/a



Institute for Theoretical Medicine, Inc.

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase after 15 mins


Bioorg Med Chem 18: 8112-8 (2010)


Article DOI: 10.1016/j.bmc.2010.08.056
BindingDB Entry DOI: 10.7270/Q2JH3MF5
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%