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PubMed code 26773755

Compile data set for download or QSAR
Found 20 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


(Mus musculus (Mouse))
BDBM175278
PNG
((E)-2,3-bis(4-Hydroxyphenyl)acrylonitrile (21))
Show SMILES Oc1ccc(\C=C(\C#N)c2ccc(O)cc2)cc1
Show InChI InChI=1S/C15H11NO2/c16-10-13(12-3-7-15(18)8-4-12)9-11-1-5-14(17)6-2-11/h1-9,17-18H/b13-9-
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n/an/a 5.06E+3n/an/an/an/an/an/a



Indian Institute of Integrative Medicine



Assay Description
The reaction mixture contained 50 mM phosphate buffer, pH 6.8, 0.05% L-DOPA and the supernatant (tyrosinase). After incubation in the absence or pres...


Bioorg Chem 64: 97-102 (2016)


Article DOI: 10.1016/j.bioorg.2016.01.001
BindingDB Entry DOI: 10.7270/Q28C9V13
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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n/an/a 1.08E+4n/an/an/an/an/an/a



Indian Institute of Integrative Medicine



Assay Description
The reaction mixture contained 50 mM phosphate buffer, pH 6.8, 0.05% L-DOPA and the supernatant (tyrosinase). After incubation in the absence or pres...


Bioorg Chem 64: 97-102 (2016)


Article DOI: 10.1016/j.bioorg.2016.01.001
BindingDB Entry DOI: 10.7270/Q28C9V13
More data for this
Ligand-Target Pair
Tyrosinase


(Mus musculus (Mouse))
BDBM175269
PNG
(Trans-4-Styryl-phenol (8))
Show SMILES Oc1ccc(\C=C/c2ccccc2)cc1
Show InChI InChI=1S/C14H12O/c15-14-10-8-13(9-11-14)7-6-12-4-2-1-3-5-12/h1-11,15H/b7-6-
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n/an/a 1.74E+4n/an/an/an/an/an/a



Indian Institute of Integrative Medicine



Assay Description
The reaction mixture contained 50 mM phosphate buffer, pH 6.8, 0.05% L-DOPA and the supernatant (tyrosinase). After incubation in the absence or pres...


Bioorg Chem 64: 97-102 (2016)


Article DOI: 10.1016/j.bioorg.2016.01.001
BindingDB Entry DOI: 10.7270/Q28C9V13
More data for this
Ligand-Target Pair
Tyrosinase


(Mus musculus (Mouse))
BDBM175267
PNG
(Trans-4-Styrylbenzonitrile (6))
Show SMILES N#Cc1ccc(\C=C/c2ccccc2)cc1
Show InChI InChI=1S/C15H11N/c16-12-15-10-8-14(9-11-15)7-6-13-4-2-1-3-5-13/h1-11H/b7-6-
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n/an/a 5.00E+4n/an/an/an/an/an/a



Indian Institute of Integrative Medicine



Assay Description
The reaction mixture contained 50 mM phosphate buffer, pH 6.8, 0.05% L-DOPA and the supernatant (tyrosinase). After incubation in the absence or pres...


Bioorg Chem 64: 97-102 (2016)


Article DOI: 10.1016/j.bioorg.2016.01.001
BindingDB Entry DOI: 10.7270/Q28C9V13
More data for this
Ligand-Target Pair
Tyrosinase


(Mus musculus (Mouse))
BDBM175271
PNG
(Trans-1-fluoro-4-(4-methoxystyryl)benzene (10))
Show SMILES COc1ccc(\C=C/c2ccc(F)cc2)cc1
Show InChI InChI=1S/C15H13FO/c1-17-15-10-6-13(7-11-15)3-2-12-4-8-14(16)9-5-12/h2-11H,1H3/b3-2-
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n/an/a 5.00E+4n/an/an/an/an/an/a



Indian Institute of Integrative Medicine



Assay Description
The reaction mixture contained 50 mM phosphate buffer, pH 6.8, 0.05% L-DOPA and the supernatant (tyrosinase). After incubation in the absence or pres...


Bioorg Chem 64: 97-102 (2016)


Article DOI: 10.1016/j.bioorg.2016.01.001
BindingDB Entry DOI: 10.7270/Q28C9V13
More data for this
Ligand-Target Pair
Tyrosinase


(Mus musculus (Mouse))
BDBM175272
PNG
(Trans-2-Bromo-1-methoxy-4-styryl-benzene (11))
Show SMILES COc1ccc(\C=C/c2ccccc2)cc1Br
Show InChI InChI=1S/C15H13BrO/c1-17-15-10-9-13(11-14(15)16)8-7-12-5-3-2-4-6-12/h2-11H,1H3/b8-7-
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n/an/a 5.62E+4n/an/an/an/an/an/a



Indian Institute of Integrative Medicine



Assay Description
The reaction mixture contained 50 mM phosphate buffer, pH 6.8, 0.05% L-DOPA and the supernatant (tyrosinase). After incubation in the absence or pres...


Bioorg Chem 64: 97-102 (2016)


Article DOI: 10.1016/j.bioorg.2016.01.001
BindingDB Entry DOI: 10.7270/Q28C9V13
More data for this
Ligand-Target Pair
Tyrosinase


(Mus musculus (Mouse))
BDBM175263
PNG
(Trans-1-Fluoro-4-styryl-benzene (2))
Show SMILES Fc1ccc(\C=C/c2ccccc2)cc1
Show InChI InChI=1S/C14H11F/c15-14-10-8-13(9-11-14)7-6-12-4-2-1-3-5-12/h1-11H/b7-6-
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n/an/a 7.94E+4n/an/an/an/an/an/a



Indian Institute of Integrative Medicine



Assay Description
The reaction mixture contained 50 mM phosphate buffer, pH 6.8, 0.05% L-DOPA and the supernatant (tyrosinase). After incubation in the absence or pres...


Bioorg Chem 64: 97-102 (2016)


Article DOI: 10.1016/j.bioorg.2016.01.001
BindingDB Entry DOI: 10.7270/Q28C9V13
More data for this
Ligand-Target Pair
Tyrosinase


(Mus musculus (Mouse))
BDBM175275
PNG
(Trans-9-Styryl-anthracene (15))
Show SMILES C(=C\c1c2ccccc2cc2ccccc12)\c1ccccc1
Show InChI InChI=1S/C22H16/c1-2-8-17(9-3-1)14-15-22-20-12-6-4-10-18(20)16-19-11-5-7-13-21(19)22/h1-16H/b15-14-
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n/an/a 1.66E+5n/an/an/an/an/an/a



Indian Institute of Integrative Medicine



Assay Description
The reaction mixture contained 50 mM phosphate buffer, pH 6.8, 0.05% L-DOPA and the supernatant (tyrosinase). After incubation in the absence or pres...


Bioorg Chem 64: 97-102 (2016)


Article DOI: 10.1016/j.bioorg.2016.01.001
BindingDB Entry DOI: 10.7270/Q28C9V13
More data for this
Ligand-Target Pair
Tyrosinase


(Mus musculus (Mouse))
BDBM175279
PNG
((E)-2-(4-Hydroxyphenyl)-3-(pyridin-3-yl)acrylonitr...)
Show SMILES Oc1ccc(cc1)C(=C/c1cccnc1)\C#N
Show InChI InChI=1S/C14H10N2O/c15-9-13(8-11-2-1-7-16-10-11)12-3-5-14(17)6-4-12/h1-8,10,17H/b13-8-
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n/an/a 2.70E+5n/an/an/an/an/an/a



Indian Institute of Integrative Medicine



Assay Description
The reaction mixture contained 50 mM phosphate buffer, pH 6.8, 0.05% L-DOPA and the supernatant (tyrosinase). After incubation in the absence or pres...


Bioorg Chem 64: 97-102 (2016)


Article DOI: 10.1016/j.bioorg.2016.01.001
BindingDB Entry DOI: 10.7270/Q28C9V13
More data for this
Ligand-Target Pair
Tyrosinase


(Mus musculus (Mouse))
BDBM175277
PNG
((E)-3-(4-Methoxyphenyl)-2-phenylpropenal (20))
Show SMILES COc1ccc(\C=C(\C=O)c2ccccc2)cc1
Show InChI InChI=1S/C16H14O2/c1-18-16-9-7-13(8-10-16)11-15(12-17)14-5-3-2-4-6-14/h2-12H,1H3/b15-11-
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n/an/a 2.76E+5n/an/an/an/an/an/a



Indian Institute of Integrative Medicine



Assay Description
The reaction mixture contained 50 mM phosphate buffer, pH 6.8, 0.05% L-DOPA and the supernatant (tyrosinase). After incubation in the absence or pres...


Bioorg Chem 64: 97-102 (2016)


Article DOI: 10.1016/j.bioorg.2016.01.001
BindingDB Entry DOI: 10.7270/Q28C9V13
More data for this
Ligand-Target Pair
Tyrosinase


(Mus musculus (Mouse))
BDBM175265
PNG
(Trans-1-Bromo-4-styrylbenzene (4))
Show SMILES Brc1ccc(\C=C/c2ccccc2)cc1
Show InChI InChI=1S/C14H11Br/c15-14-10-8-13(9-11-14)7-6-12-4-2-1-3-5-12/h1-11H/b7-6-
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n/an/a 2.77E+5n/an/an/an/an/an/a



Indian Institute of Integrative Medicine



Assay Description
The reaction mixture contained 50 mM phosphate buffer, pH 6.8, 0.05% L-DOPA and the supernatant (tyrosinase). After incubation in the absence or pres...


Bioorg Chem 64: 97-102 (2016)


Article DOI: 10.1016/j.bioorg.2016.01.001
BindingDB Entry DOI: 10.7270/Q28C9V13
More data for this
Ligand-Target Pair
Tyrosinase


(Mus musculus (Mouse))
BDBM175264
PNG
(Trans-1-Chloro-4-styrylbenzene (3))
Show SMILES Clc1ccc(\C=C/c2ccccc2)cc1
Show InChI InChI=1S/C14H11Cl/c15-14-10-8-13(9-11-14)7-6-12-4-2-1-3-5-12/h1-11H/b7-6-
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n/an/a 3.20E+5n/an/an/an/an/an/a



Indian Institute of Integrative Medicine



Assay Description
The reaction mixture contained 50 mM phosphate buffer, pH 6.8, 0.05% L-DOPA and the supernatant (tyrosinase). After incubation in the absence or pres...


Bioorg Chem 64: 97-102 (2016)


Article DOI: 10.1016/j.bioorg.2016.01.001
BindingDB Entry DOI: 10.7270/Q28C9V13
More data for this
Ligand-Target Pair
Tyrosinase


(Mus musculus (Mouse))
BDBM175266
PNG
(Trans-1-Nitro-4-styrylbenzene (5))
Show SMILES [O-][N+](=O)c1ccc(\C=C/c2ccccc2)cc1
Show InChI InChI=1S/C14H11NO2/c16-15(17)14-10-8-13(9-11-14)7-6-12-4-2-1-3-5-12/h1-11H/b7-6-
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n/an/a 3.61E+5n/an/an/an/an/an/a



Indian Institute of Integrative Medicine



Assay Description
The reaction mixture contained 50 mM phosphate buffer, pH 6.8, 0.05% L-DOPA and the supernatant (tyrosinase). After incubation in the absence or pres...


Bioorg Chem 64: 97-102 (2016)


Article DOI: 10.1016/j.bioorg.2016.01.001
BindingDB Entry DOI: 10.7270/Q28C9V13
More data for this
Ligand-Target Pair
Tyrosinase


(Mus musculus (Mouse))
BDBM175273
PNG
(Trans-1,3-Difluoro-5-styrylbenzene (12))
Show SMILES Fc1cc(F)cc(\C=C/c2ccccc2)c1
Show InChI InChI=1S/C14H10F2/c15-13-8-12(9-14(16)10-13)7-6-11-4-2-1-3-5-11/h1-10H/b7-6-
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n/an/a 3.94E+5n/an/an/an/an/an/a



Indian Institute of Integrative Medicine



Assay Description
The reaction mixture contained 50 mM phosphate buffer, pH 6.8, 0.05% L-DOPA and the supernatant (tyrosinase). After incubation in the absence or pres...


Bioorg Chem 64: 97-102 (2016)


Article DOI: 10.1016/j.bioorg.2016.01.001
BindingDB Entry DOI: 10.7270/Q28C9V13
More data for this
Ligand-Target Pair
Tyrosinase


(Mus musculus (Mouse))
BDBM175270
PNG
(Trans-1-Methoxy-4-styryl-benzene (9))
Show SMILES COc1ccc(\C=C/c2ccccc2)cc1
Show InChI InChI=1S/C15H14O/c1-16-15-11-9-14(10-12-15)8-7-13-5-3-2-4-6-13/h2-12H,1H3/b8-7-
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n/an/a 4.33E+5n/an/an/an/an/an/a



Indian Institute of Integrative Medicine



Assay Description
The reaction mixture contained 50 mM phosphate buffer, pH 6.8, 0.05% L-DOPA and the supernatant (tyrosinase). After incubation in the absence or pres...


Bioorg Chem 64: 97-102 (2016)


Article DOI: 10.1016/j.bioorg.2016.01.001
BindingDB Entry DOI: 10.7270/Q28C9V13
More data for this
Ligand-Target Pair
Tyrosinase


(Mus musculus (Mouse))
BDBM175276
PNG
((E)-Methyl-3-(4-hydroxy-3-methoxyphenyl)-2-(4-meth...)
Show SMILES COC(=O)C(=C\c1ccc(O)c(OC)c1)\c1ccc(OC)cc1
Show InChI InChI=1S/C18H18O5/c1-21-14-7-5-13(6-8-14)15(18(20)23-3)10-12-4-9-16(19)17(11-12)22-2/h4-11,19H,1-3H3/b15-10+
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n/an/a>5.00E+5n/an/an/an/an/an/a



Indian Institute of Integrative Medicine



Assay Description
The reaction mixture contained 50 mM phosphate buffer, pH 6.8, 0.05% L-DOPA and the supernatant (tyrosinase). After incubation in the absence or pres...


Bioorg Chem 64: 97-102 (2016)


Article DOI: 10.1016/j.bioorg.2016.01.001
BindingDB Entry DOI: 10.7270/Q28C9V13
More data for this
Ligand-Target Pair
Tyrosinase


(Mus musculus (Mouse))
BDBM50006677
PNG
(1,2,3-Trimethoxy-5-[(Z)-2-(4-methoxy-phenyl)-vinyl...)
Show SMILES COc1ccc(\C=C/c2cc(OC)c(OC)c(OC)c2)cc1
Show InChI InChI=1S/C18H20O4/c1-19-15-9-7-13(8-10-15)5-6-14-11-16(20-2)18(22-4)17(12-14)21-3/h5-12H,1-4H3/b6-5-
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n/an/a>5.00E+5n/an/an/an/an/an/a



Indian Institute of Integrative Medicine



Assay Description
The reaction mixture contained 50 mM phosphate buffer, pH 6.8, 0.05% L-DOPA and the supernatant (tyrosinase). After incubation in the absence or pres...


Bioorg Chem 64: 97-102 (2016)


Article DOI: 10.1016/j.bioorg.2016.01.001
BindingDB Entry DOI: 10.7270/Q28C9V13
More data for this
Ligand-Target Pair
Tyrosinase


(Mus musculus (Mouse))
BDBM175262
PNG
(Trans-1,2-Diphenylethene (1))
Show SMILES C(=C/c1ccccc1)\c1ccccc1
Show InChI InChI=1S/C14H12/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14/h1-12H/b12-11+
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n/an/a>5.00E+5n/an/an/an/an/an/a



Indian Institute of Integrative Medicine



Assay Description
The reaction mixture contained 50 mM phosphate buffer, pH 6.8, 0.05% L-DOPA and the supernatant (tyrosinase). After incubation in the absence or pres...


Bioorg Chem 64: 97-102 (2016)


Article DOI: 10.1016/j.bioorg.2016.01.001
BindingDB Entry DOI: 10.7270/Q28C9V13
More data for this
Ligand-Target Pair
Tyrosinase


(Mus musculus (Mouse))
BDBM175268
PNG
(Trans-Acetic acid 4-styryl-phenyl ester (7))
Show SMILES CC(=O)Oc1ccc(C=Cc2ccccc2)cc1
Show InChI InChI=1S/C16H14O2/c1-13(17)18-16-11-9-15(10-12-16)8-7-14-5-3-2-4-6-14/h2-12H,1H3/b8-7+
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Assay Description
The reaction mixture contained 50 mM phosphate buffer, pH 6.8, 0.05% L-DOPA and the supernatant (tyrosinase). After incubation in the absence or pres...


Bioorg Chem 64: 97-102 (2016)


Article DOI: 10.1016/j.bioorg.2016.01.001
BindingDB Entry DOI: 10.7270/Q28C9V13
More data for this
Ligand-Target Pair
Tyrosinase


(Mus musculus (Mouse))
BDBM175274
PNG
(Trans-1,2,3,4,5-Pentafluoro-6-styryl-benzene (14))
Show SMILES Fc1c(F)c(F)c(\C=C/c2ccccc2)c(F)c1F
Show InChI InChI=1S/C14H7F5/c15-10-9(7-6-8-4-2-1-3-5-8)11(16)13(18)14(19)12(10)17/h1-7H/b7-6-
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Assay Description
The reaction mixture contained 50 mM phosphate buffer, pH 6.8, 0.05% L-DOPA and the supernatant (tyrosinase). After incubation in the absence or pres...


Bioorg Chem 64: 97-102 (2016)


Article DOI: 10.1016/j.bioorg.2016.01.001
BindingDB Entry DOI: 10.7270/Q28C9V13
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%