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Compile Data Set for Download or QSAR

Found 9 hits with Last Name = 'nihei' and Initial = 'ki'   
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))
BDBM50503718
PNG
(CHEMBL4439507)
Show SMILES OC[C@H]1O[C@@H](OCCCCCCCCCCCCCCc2ccc(O)cc2O)[C@H](O)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C26H44O8/c27-18-22-23(30)24(31)25(32)26(34-22)33-16-12-10-8-6-4-2-1-3-5-7-9-11-13-19-14-15-20(28)17-21(19)29/h14-15,17,22-32H,1-13,16,18H2/t22-,23-,24+,25-,26-/m1/s1
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n/an/a 390n/an/an/an/an/an/a



Utsunomiya University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase using TBC as substrate by spectrophotometric method


Bioorg Med Chem Lett 29: 313-316 (2019)


Article DOI: 10.1016/j.bmcl.2018.11.029
BindingDB Entry DOI: 10.7270/Q22V2KCK
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50503713
PNG
(CHEMBL4462064)
Show SMILES OC[C@H]1O[C@@H](OCCCCCCCCCCc2ccc(O)cc2O)[C@H](O)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C22H36O8/c23-14-18-19(26)20(27)21(28)22(30-18)29-12-8-6-4-2-1-3-5-7-9-15-10-11-16(24)13-17(15)25/h10-11,13,18-28H,1-9,12,14H2/t18-,19-,20+,21-,22-/m1/s1
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n/an/a 410n/an/an/an/an/an/a



Utsunomiya University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase using TBC as substrate by spectrophotometric method


Bioorg Med Chem Lett 29: 313-316 (2019)


Article DOI: 10.1016/j.bmcl.2018.11.029
BindingDB Entry DOI: 10.7270/Q22V2KCK
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50292636
PNG
(4-hexyl resorcinol | ACRISORCIN | CHEMBL443605)
Show SMILES CCCCCCc1ccc(O)cc1O
Show InChI InChI=1S/C12H18O2/c1-2-3-4-5-6-10-7-8-11(13)9-12(10)14/h7-9,13-14H,2-6H2,1H3
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n/an/a 610n/an/an/an/an/an/a



Utsunomiya University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase using TBC as substrate by spectrophotometric method


Bioorg Med Chem Lett 29: 313-316 (2019)


Article DOI: 10.1016/j.bmcl.2018.11.029
BindingDB Entry DOI: 10.7270/Q22V2KCK
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50503714
PNG
(CHEMBL4456030)
Show SMILES OC[C@H]1O[C@@H](OCCCCCCc2ccc(O)cc2O)[C@H](O)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C18H28O8/c19-10-14-15(22)16(23)17(24)18(26-14)25-8-4-2-1-3-5-11-6-7-12(20)9-13(11)21/h6-7,9,14-24H,1-5,8,10H2/t14-,15-,16+,17-,18-/m1/s1
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n/an/a 630n/an/an/an/an/an/a



Utsunomiya University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase using TBC as substrate by spectrophotometric method


Bioorg Med Chem Lett 29: 313-316 (2019)


Article DOI: 10.1016/j.bmcl.2018.11.029
BindingDB Entry DOI: 10.7270/Q22V2KCK
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50503717
PNG
(CHEMBL4465094)
Show SMILES OC[C@H]1O[C@@H](OCCCCc2ccc(O)cc2O)[C@H](O)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C16H24O8/c17-8-12-13(20)14(21)15(22)16(24-12)23-6-2-1-3-9-4-5-10(18)7-11(9)19/h4-5,7,12-22H,1-3,6,8H2/t12-,13-,14+,15-,16-/m1/s1
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n/an/a 1.36E+3n/an/an/an/an/an/a



Utsunomiya University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase using TBC as substrate by spectrophotometric method


Bioorg Med Chem Lett 29: 313-316 (2019)


Article DOI: 10.1016/j.bmcl.2018.11.029
BindingDB Entry DOI: 10.7270/Q22V2KCK
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50503712
PNG
(CHEMBL4541503)
Show SMILES OC[C@H]1O[C@@H](OCCCc2ccc(O)cc2O)[C@H](O)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C15H22O8/c16-7-11-12(19)13(20)14(21)15(23-11)22-5-1-2-8-3-4-9(17)6-10(8)18/h3-4,6,11-21H,1-2,5,7H2/t11-,12-,13+,14-,15-/m1/s1
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n/an/a 3.62E+3n/an/an/an/an/an/a



Utsunomiya University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase using TBC as substrate by spectrophotometric method


Bioorg Med Chem Lett 29: 313-316 (2019)


Article DOI: 10.1016/j.bmcl.2018.11.029
BindingDB Entry DOI: 10.7270/Q22V2KCK
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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n/an/a 1.07E+4n/an/an/an/an/an/a



Utsunomiya University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase using TBC as substrate by spectrophotometric method


Bioorg Med Chem Lett 29: 313-316 (2019)


Article DOI: 10.1016/j.bmcl.2018.11.029
BindingDB Entry DOI: 10.7270/Q22V2KCK
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50503716
PNG
(CHEMBL4453823)
Show SMILES OC[C@H]1O[C@@H](OCCc2ccc(O)cc2O)[C@H](O)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C14H20O8/c15-6-10-11(18)12(19)13(20)14(22-10)21-4-3-7-1-2-8(16)5-9(7)17/h1-2,5,10-20H,3-4,6H2/t10-,11-,12+,13-,14-/m1/s1
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n/an/a 3.59E+4n/an/an/an/an/an/a



Utsunomiya University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase using TBC as substrate by spectrophotometric method


Bioorg Med Chem Lett 29: 313-316 (2019)


Article DOI: 10.1016/j.bmcl.2018.11.029
BindingDB Entry DOI: 10.7270/Q22V2KCK
More data for this
Ligand-Target Pair
Tyrosinase


(Homo sapiens (Human))
BDBM50503715
PNG
(CHEMBL4586957)
Show SMILES OC[C@H]1O[C@@H](Oc2ccc(O)cc2O)[C@H](O)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C12H16O8/c13-4-8-9(16)10(17)11(18)12(20-8)19-7-2-1-5(14)3-6(7)15/h1-3,8-18H,4H2/t8-,9-,10+,11-,12-/m1/s1
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n/an/a 4.17E+5n/an/an/an/an/an/a



Utsunomiya University

Curated by ChEMBL


Assay Description
Inhibition of tyrosinase (unknown origin) using L-DOPA as substrate preincubated with substrate for 5 mins followed by enzyme addition and measured i...


Bioorg Med Chem Lett 29: 313-316 (2019)


Article DOI: 10.1016/j.bmcl.2018.11.029
BindingDB Entry DOI: 10.7270/Q22V2KCK
More data for this
Ligand-Target Pair