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Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with all data for entry = 50027119   
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))
BDBM50263336
PNG
(4,4'-(ethane-1,2-diyl)dibenzene-1,3-diol | CHEMBL4...)
Show SMILES Oc1ccc(CCc2ccc(O)cc2O)c(O)c1
Show InChI InChI=1S/C14H14O4/c15-11-5-3-9(13(17)7-11)1-2-10-4-6-12(16)8-14(10)18/h3-8,15-18H,1-2H2
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 370n/an/an/an/an/an/a



Utsunomiya University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase


Bioorg Med Chem Lett 18: 5252-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.053
BindingDB Entry DOI: 10.7270/Q2VX0GBZ
More data for this
Ligand-Target Pair
Tyrosinase


(Agaricus bisporus (Common mushroom))
BDBM50264086
PNG
((2S,3R,4S,5R)-2-(4-(2,4-dihydroxyphenethyl)-3-hydr...)
Show SMILES O[C@@H]1CO[C@@H](Oc2ccc(CCc3ccc(O)cc3O)c(O)c2)[C@H](O)[C@H]1O
Show InChI InChI=1S/C19H22O8/c20-12-5-3-10(14(21)7-12)1-2-11-4-6-13(8-15(11)22)27-19-18(25)17(24)16(23)9-26-19/h3-8,16-25H,1-2,9H2/t16-,17+,18-,19+/m1/s1
UniProtKB/SwissProt

GoogleScholar
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 430n/an/an/an/an/an/a



Utsunomiya University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase


Bioorg Med Chem Lett 18: 5252-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.053
BindingDB Entry DOI: 10.7270/Q2VX0GBZ
More data for this
Ligand-Target Pair
Tyrosinase


(Agaricus bisporus (Common mushroom))
BDBM50264087
PNG
((2S,2'S,3R,3'R,4S,4'S,5R,5'R)-2,2'-(4-(2,4-dihydro...)
Show SMILES O[C@@H]1CO[C@@H](Oc2ccc(CCc3ccc(O)cc3O)c(O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)c2)[C@H](O)[C@H]1O
Show InChI InChI=1S/C24H30O12/c25-13-5-3-11(15(26)7-13)1-2-12-4-6-14(35-23-21(31)19(29)16(27)9-33-23)8-18(12)36-24-22(32)20(30)17(28)10-34-24/h3-8,16-17,19-32H,1-2,9-10H2/t16-,17-,19+,20+,21-,22-,23+,24+/m1/s1
UniProtKB/SwissProt

GoogleScholar
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 730n/an/an/an/an/an/a



Utsunomiya University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase


Bioorg Med Chem Lett 18: 5252-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.053
BindingDB Entry DOI: 10.7270/Q2VX0GBZ
More data for this
Ligand-Target Pair
Tyrosinase


(Agaricus bisporus (Common mushroom))
BDBM50264085
PNG
((2S,3R,4S,5R)-2-(2-(2,4-dihydroxyphenethyl)-5-hydr...)
Show SMILES O[C@@H]1CO[C@@H](Oc2cc(O)ccc2CCc2ccc(O)cc2O)[C@H](O)[C@H]1O
Show InChI InChI=1S/C19H22O8/c20-12-5-3-10(14(22)7-12)1-2-11-4-6-13(21)8-16(11)27-19-18(25)17(24)15(23)9-26-19/h3-8,15,17-25H,1-2,9H2/t15-,17+,18-,19+/m1/s1
UniProtKB/SwissProt

GoogleScholar
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.60E+3n/an/an/an/an/an/a



Utsunomiya University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase


Bioorg Med Chem Lett 18: 5252-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.053
BindingDB Entry DOI: 10.7270/Q2VX0GBZ
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
UniProtKB/SwissProt

GoogleScholar
Purchase

CHEBI
CHEMBL
DrugBank
KEGG
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 7.40E+3n/an/an/an/an/an/a



Utsunomiya University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase


Bioorg Med Chem Lett 18: 5252-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.053
BindingDB Entry DOI: 10.7270/Q2VX0GBZ
More data for this
Ligand-Target Pair