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PubMed code 21050756

Compile data set for download or QSAR
Found 4 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))
BDBM7462
PNG
(3,5,7-trihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-...)
Show SMILES Oc1ccc(cc1)-c1oc2cc(O)cc(O)c2c(=O)c1O
Show InChI InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H
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Article
PubMed
n/an/a 1.71E+5n/an/an/an/an/an/a



AmorePacific Corporation

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase after 20 mins by spectrophotometric analysis


Bioorg Med Chem Lett 20: 7534-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.082
BindingDB Entry DOI: 10.7270/Q2DJ5FVB
More data for this
Ligand-Target Pair
Tyrosinase


(Agaricus bisporus (Common mushroom))
BDBM50213414
PNG
(CHEMBL240528 | afzelin | kaempferol 3-O-alpha-L-rh...)
Show SMILES C[C@@H]1O[C@@H](Oc2c(O)c3c(cc(O)cc3=O)oc2-c2ccc(O)cc2)[C@H](O)[C@H](O)[C@H]1O
Show InChI InChI=1S/C21H20O10/c1-8-15(25)17(27)18(28)21(29-8)31-20-16(26)14-12(24)6-11(23)7-13(14)30-19(20)9-2-4-10(22)5-3-9/h2-8,15,17-18,21-23,25-28H,1H3/t8-,15-,17+,18+,21-/m0/s1
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n/an/a>4.00E+5n/an/an/an/an/an/a



AmorePacific Corporation

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase after 20 mins by spectrophotometric analysis


Bioorg Med Chem Lett 20: 7534-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.082
BindingDB Entry DOI: 10.7270/Q2DJ5FVB
More data for this
Ligand-Target Pair
Tyrosinase


(Agaricus bisporus (Common mushroom))
BDBM50331856
PNG
(CHEMBL251766 | Karempferitrin | kaempferitrin | ka...)
Show SMILES C[C@@H]1O[C@@H](Oc2cc(O)c3c(c2)oc(-c2ccc(O)cc2)c(O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)c3=O)[C@H](O)[C@H](O)[C@H]1O
Show InChI InChI=1S/C27H30O14/c1-9-17(30)20(33)22(35)26(37-9)39-13-7-14(29)16-15(8-13)40-24(11-3-5-12(28)6-4-11)25(19(16)32)41-27-23(36)21(34)18(31)10(2)38-27/h3-10,17-18,20-23,26-31,33-36H,1-2H3/t9-,10-,17-,18-,20+,21+,22+,23+,26-,27-/m0/s1
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PubMed
n/an/a>4.00E+5n/an/an/an/an/an/a



AmorePacific Corporation

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase after 20 mins by spectrophotometric analysis


Bioorg Med Chem Lett 20: 7534-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.082
BindingDB Entry DOI: 10.7270/Q2DJ5FVB
More data for this
Ligand-Target Pair
Tyrosinase


(Agaricus bisporus (Common mushroom))
BDBM50331857
PNG
(CHEMBL1289337 | alpha-rhamnoisorobin)
Show SMILES C[C@@H]1O[C@@H](Oc2cc(O)c3c(c2)oc(-c2ccc(O)cc2)c(O)c3=O)[C@H](O)[C@H](O)[C@H]1O
Show InChI InChI=1S/C21H20O10/c1-8-15(24)17(26)19(28)21(29-8)30-11-6-12(23)14-13(7-11)31-20(18(27)16(14)25)9-2-4-10(22)5-3-9/h2-8,15,17,19,21-24,26-28H,1H3/t8-,15-,17+,19+,21-/m0/s1
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n/an/a>4.00E+5n/an/an/an/an/an/a



AmorePacific Corporation

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase after 20 mins by spectrophotometric analysis


Bioorg Med Chem Lett 20: 7534-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.082
BindingDB Entry DOI: 10.7270/Q2DJ5FVB
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%