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Compile Data Set for Download or QSAR

Found 5 hits with Last Name = 'yu' and Initial = 'mh'   
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))
BDBM50364139
PNG
(CHEMBL1951301)
Show SMILES COc1ccc2CC[C@@H](Oc2c1CCO)c1ccc(O)cc1O |r|
Show InChI InChI=1S/C18H20O5/c1-22-16-6-2-11-3-7-17(23-18(11)14(16)8-9-19)13-5-4-12(20)10-15(13)21/h2,4-6,10,17,19-21H,3,7-9H2,1H3/t17-/m1/s1
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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 120n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase assessed as oxidation of L-dopa by spectrophotometric analysis


J Nat Prod 75: 82-7 (2012)


Article DOI: 10.1021/np2007318
BindingDB Entry DOI: 10.7270/Q21Z44XV
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50364138
PNG
(CHEMBL1951300)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])ccc2-[#6]-[#6]-[#6@H](-[#8]-c12)-c1ccc(-[#8])cc1-[#8] |r|
Show InChI InChI=1S/C20H22O4/c1-12(2)3-7-16-17(22)9-4-13-5-10-19(24-20(13)16)15-8-6-14(21)11-18(15)23/h3-4,6,8-9,11,19,21-23H,5,7,10H2,1-2H3/t19-/m0/s1
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PC sid
UniChem

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PubMed
n/an/a 150n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase assessed as oxidation of L-dopa by spectrophotometric analysis


J Nat Prod 75: 82-7 (2012)


Article DOI: 10.1021/np2007318
BindingDB Entry DOI: 10.7270/Q21Z44XV
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50364140
PNG
(CHEMBL463255)
Show SMILES [#6]-[#8]-c1cc(-[#8])c2-[#6]-[#6]-[#6@H](-[#8]-c2c1-[#6]\[#6]=[#6](\[#6])-[#6])-c1ccc(-[#8])cc1-[#8] |r|
Show InChI InChI=1S/C21H24O5/c1-12(2)4-6-16-20(25-3)11-18(24)15-8-9-19(26-21(15)16)14-7-5-13(22)10-17(14)23/h4-5,7,10-11,19,22-24H,6,8-9H2,1-3H3/t19-/m0/s1
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PubMed
n/an/a 810n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase assessed as oxidation of L-dopa by spectrophotometric analysis


J Nat Prod 75: 82-7 (2012)


Article DOI: 10.1021/np2007318
BindingDB Entry DOI: 10.7270/Q21Z44XV
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50364137
PNG
(CHEMBL1951403)
Show SMILES COc1ccc2CC[C@H](Oc2c1C\C=C(/C)CO)c1ccc(O)cc1O |r|
Show InChI InChI=1S/C21H24O5/c1-13(12-22)3-7-17-19(25-2)9-4-14-5-10-20(26-21(14)17)16-8-6-15(23)11-18(16)24/h3-4,6,8-9,11,20,22-24H,5,7,10,12H2,1-2H3/b13-3+/t20-/m0/s1
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PubMed
n/an/a 1.43E+3n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase assessed as oxidation of L-dopa by spectrophotometric analysis


J Nat Prod 75: 82-7 (2012)


Article DOI: 10.1021/np2007318
BindingDB Entry DOI: 10.7270/Q21Z44XV
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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MCE
KEGG
PC cid
PC sid
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Article
PubMed
n/an/a 3.26E+4n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase assessed as oxidation of L-dopa by spectrophotometric analysis


J Nat Prod 75: 82-7 (2012)


Article DOI: 10.1021/np2007318
BindingDB Entry DOI: 10.7270/Q21Z44XV
More data for this
Ligand-Target Pair