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Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with all data for entry = 50044558   
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


(Mus musculus (Mouse))
BDBM50020713
PNG
(CHEMBL460860)
Show SMILES OC[C@H]1O[C@@H](Oc2c(O)cc(O)cc2\C=C\c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C20H22O9/c21-9-15-16(25)17(26)18(27)20(28-15)29-19-11(7-13(23)8-14(19)24)4-1-10-2-5-12(22)6-3-10/h1-8,15-18,20-27H,9H2/b4-1+/t15-,16-,17+,18-,20+/m1/s1
UniProtKB/SwissProt

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MCE
KEGG
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PubMed
2.50E+6n/an/an/an/an/an/an/an/a



The Chinese University of Hong Kong

Curated by ChEMBL


Assay Description
Inhibition of tyrosinase in mouse Melan-a cells assessed as decrease in L-DOPA Vmax at 240 uM by Lineweaver-Burk plot


J Nat Prod 77: 1270-4 (2014)


Article DOI: 10.1021/np4008798
BindingDB Entry DOI: 10.7270/Q2MK6FFJ
More data for this
Ligand-Target Pair
Tyrosinase


(Mus musculus (Mouse))
BDBM50020713
PNG
(CHEMBL460860)
Show SMILES OC[C@H]1O[C@@H](Oc2c(O)cc(O)cc2\C=C\c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C20H22O9/c21-9-15-16(25)17(26)18(27)20(28-15)29-19-11(7-13(23)8-14(19)24)4-1-10-2-5-12(22)6-3-10/h1-8,15-18,20-27H,9H2/b4-1+/t15-,16-,17+,18-,20+/m1/s1
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MCE
KEGG
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Article
PubMed
2.80E+6n/an/an/an/an/an/an/an/a



The Chinese University of Hong Kong

Curated by ChEMBL


Assay Description
Inhibition of tyrosinase in mouse Melan-a cells assessed as decrease in L-DOPA Vmax at 120 uM by Lineweaver-Burk plot


J Nat Prod 77: 1270-4 (2014)


Article DOI: 10.1021/np4008798
BindingDB Entry DOI: 10.7270/Q2MK6FFJ
More data for this
Ligand-Target Pair
Tyrosinase


(Mus musculus (Mouse))
BDBM23926
PNG
((E)-resveratrol | 5-[(E)-2-(4-hydroxyphenyl)etheny...)
Show SMILES Oc1ccc(\C=C\c2cc(O)cc(O)c2)cc1
Show InChI InChI=1S/C14H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,15-17H/b2-1+
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PubMed
2.90E+6n/an/an/an/an/an/an/an/a



The Chinese University of Hong Kong

Curated by ChEMBL


Assay Description
Inhibition of tyrosinase in mouse Melan-a cells assessed as decrease in L-DOPA Vmax at 120 uM by Lineweaver-Burk plot


J Nat Prod 77: 1270-4 (2014)


Article DOI: 10.1021/np4008798
BindingDB Entry DOI: 10.7270/Q2MK6FFJ
More data for this
Ligand-Target Pair
Tyrosinase


(Mus musculus (Mouse))
BDBM50020713
PNG
(CHEMBL460860)
Show SMILES OC[C@H]1O[C@@H](Oc2c(O)cc(O)cc2\C=C\c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C20H22O9/c21-9-15-16(25)17(26)18(27)20(28-15)29-19-11(7-13(23)8-14(19)24)4-1-10-2-5-12(22)6-3-10/h1-8,15-18,20-27H,9H2/b4-1+/t15-,16-,17+,18-,20+/m1/s1
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Article
PubMed
3.10E+6n/an/an/an/an/an/an/an/a



The Chinese University of Hong Kong

Curated by ChEMBL


Assay Description
Inhibition of tyrosinase in mouse Melan-a cells assessed as decrease in L-DOPA Vmax at 60 uM by Lineweaver-Burk plot


J Nat Prod 77: 1270-4 (2014)


Article DOI: 10.1021/np4008798
BindingDB Entry DOI: 10.7270/Q2MK6FFJ
More data for this
Ligand-Target Pair
Tyrosinase


(Mus musculus (Mouse))
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
UniProtKB/SwissProt

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MCE
KEGG
PC cid
PC sid
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Article
PubMed
5.50E+6n/an/an/an/an/an/an/an/a



The Chinese University of Hong Kong

Curated by ChEMBL


Assay Description
Inhibition of tyrosinase in mouse Melan-a cells assessed as decrease in L-DOPA Vmax at 120 uM by Lineweaver-Burk plot


J Nat Prod 77: 1270-4 (2014)


Article DOI: 10.1021/np4008798
BindingDB Entry DOI: 10.7270/Q2MK6FFJ
More data for this
Ligand-Target Pair