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Compile Data Set for Download or QSAR

Found 40 hits with Last Name = 'shimmon' and Initial = 'r'   
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))
BDBM50066275
PNG
(CHEMBL3401548)
Show SMILES OC(\C=C\c1ccccn1)c1ccccc1O
Show InChI InChI=1S/C14H13NO2/c16-13-7-2-1-6-12(13)14(17)9-8-11-5-3-4-10-15-11/h1-10,14,16-17H/b9-8+
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2.62E+3n/an/an/an/an/an/an/an/a



University of Technology Sydney

Curated by ChEMBL


Assay Description
Competitive inhibition of mushroom tyrosinase assessed as inhibition of L-DOPA oxidase activity at 5 uM active compound by Lineweaver-Burk plot analy...


Bioorg Med Chem Lett 25: 1753-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.02.060
BindingDB Entry DOI: 10.7270/Q2T72K42
More data for this
Ligand-Target Pair
Membrane primary amine oxidase


(Rattus norvegicus (Rat))
BDBM50104436
PNG
(((E)-3-Benzo[1,3]dioxol-5-yl-allyl)-methyl-amine |...)
Show SMILES CNC\C=C\c1ccc2OCOc2c1
Show InChI InChI=1S/C11H13NO2/c1-12-6-2-3-9-4-5-10-11(7-9)14-8-13-10/h2-5,7,12H,6,8H2,1H3/b3-2+
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2.70E+3n/an/an/an/an/an/an/an/a



University of Technology

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against bovine plasma semicarbazide-sensitive amine oxidase (SSAO)


Bioorg Med Chem Lett 11: 2565-8 (2001)


BindingDB Entry DOI: 10.7270/Q25T3JR2
More data for this
Ligand-Target Pair
Membrane primary amine oxidase


(Rattus norvegicus (Rat))
BDBM50104437
PNG
(CHEMBL312832 | [3-(3,4-Dimethoxy-phenyl)-prop-2-yn...)
Show SMILES COc1ccc(cc1OC)C#CCN(C)C
Show InChI InChI=1S/C13H17NO2/c1-14(2)9-5-6-11-7-8-12(15-3)13(10-11)16-4/h7-8,10H,9H2,1-4H3
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2.90E+3n/an/an/an/an/an/an/an/a



University of Technology

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against bovine plasma semicarbazide-sensitive amine oxidase (SSAO)


Bioorg Med Chem Lett 11: 2565-8 (2001)


BindingDB Entry DOI: 10.7270/Q25T3JR2
More data for this
Ligand-Target Pair
Membrane primary amine oxidase


(Rattus norvegicus (Rat))
BDBM50104434
PNG
((3-Benzo[1,3]dioxol-5-yl-prop-2-ynyl)-dimethyl-ami...)
Show SMILES CN(C)CC#Cc1ccc2OCOc2c1
Show InChI InChI=1S/C12H13NO2/c1-13(2)7-3-4-10-5-6-11-12(8-10)15-9-14-11/h5-6,8H,7,9H2,1-2H3
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3.10E+3n/an/an/an/an/an/an/an/a



University of Technology

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against bovine plasma semicarbazide-sensitive amine oxidase (SSAO)


Bioorg Med Chem Lett 11: 2565-8 (2001)


BindingDB Entry DOI: 10.7270/Q25T3JR2
More data for this
Ligand-Target Pair
Polyphenol oxidase 1 [N65D,S176D,K211T,P277A,P406L]


(Agaricus bisporus (Mushroom))
BDBM173587
PNG
((2E)-3-(3,5-dihydroxyphenyl)-1-(3-hydroxynaphthale...)
Show SMILES Oc1cc(O)cc(\C=C\C(=O)c2cc3ccccc3cc2O)c1
Show InChI InChI=1S/C19H14O4/c20-15-7-12(8-16(21)11-15)5-6-18(22)17-9-13-3-1-2-4-14(13)10-19(17)23/h1-11,20-21,23H/b6-5+
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3.80E+3n/a 1.04E+4n/an/an/an/a6.8n/a



University of Technology Sydney



Assay Description
The mushroom tyrosinase inhibition activity of hydroxy naphthylchalcone compounds was measured using L-DOPA as substrate. The activity assay used 3 m...


Bioorg Chem 63: 116-22 (2015)


Article DOI: 10.1016/j.bioorg.2015.10.003
BindingDB Entry DOI: 10.7270/Q2MS3RH3
More data for this
Ligand-Target Pair
Polyphenol oxidase 1 [N65D,S176D,K211T,P277A,P406L]


(Agaricus bisporus (Mushroom))
BDBM173584
PNG
((2E)-3-(2,4-dihydroxyphenyl)-1-(3-hydroxynaphthale...)
Show SMILES Oc1ccc(\C=C\C(=O)c2cc3ccccc3cc2O)c(O)c1
Show InChI InChI=1S/C19H14O4/c20-15-7-5-12(18(22)11-15)6-8-17(21)16-9-13-3-1-2-4-14(13)10-19(16)23/h1-11,20,22-23H/b8-6+
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4.50E+3n/a 1.44E+4n/an/an/an/a6.8n/a



University of Technology Sydney



Assay Description
The mushroom tyrosinase inhibition activity of hydroxy naphthylchalcone compounds was measured using L-DOPA as substrate. The activity assay used 3 m...


Bioorg Chem 63: 116-22 (2015)


Article DOI: 10.1016/j.bioorg.2015.10.003
BindingDB Entry DOI: 10.7270/Q2MS3RH3
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50121842
PNG
(CHEMBL3617039)
Show SMILES O\N=C(/C=C/c1cccnc1)\c1cc2ccccc2cc1O
Show InChI InChI=1S/C18H14N2O2/c21-18-11-15-6-2-1-5-14(15)10-16(18)17(20-22)8-7-13-4-3-9-19-12-13/h1-12,21-22H/b8-7+,20-17+
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6.46E+3n/an/an/an/an/an/an/an/a



University of Technology Sydney

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase assessed as reduction in L-DOPA oxidase activity using L-DOPA substrate at 5 uM by Dixon plot


Bioorg Med Chem Lett 25: 4085-91 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.033
BindingDB Entry DOI: 10.7270/Q2P270ZQ
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50121843
PNG
(CHEMBL3617128)
Show SMILES O\N=C(/C=C/c1ccncc1)\c1cc2ccccc2cc1O
Show InChI InChI=1S/C18H14N2O2/c21-18-12-15-4-2-1-3-14(15)11-16(18)17(20-22)6-5-13-7-9-19-10-8-13/h1-12,21-22H/b6-5+,20-17+
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7.82E+3n/an/an/an/an/an/an/an/a



University of Technology Sydney

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase assessed as reduction in L-DOPA oxidase activity using L-DOPA substrate at 5 uM by Dixon plot


Bioorg Med Chem Lett 25: 4085-91 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.033
BindingDB Entry DOI: 10.7270/Q2P270ZQ
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50066274
PNG
(CHEMBL3401549)
Show SMILES OC(\C=C\c1ccncc1)c1ccccc1O
Show InChI InChI=1S/C14H13NO2/c16-13-4-2-1-3-12(13)14(17)6-5-11-7-9-15-10-8-11/h1-10,14,16-17H/b6-5+
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8.10E+3n/an/an/an/an/an/an/an/a



University of Technology Sydney

Curated by ChEMBL


Assay Description
Competitive inhibition of mushroom tyrosinase assessed as inhibition of L-DOPA oxidase activity at 5 uM active compound by Lineweaver-Burk plot analy...


Bioorg Med Chem Lett 25: 1753-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.02.060
BindingDB Entry DOI: 10.7270/Q2T72K42
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50133897
PNG
(CHEMBL3634267)
Show SMILES Oc1ccc(\C=C2\Cc3ccccc3C2=O)cc1O
Show InChI InChI=1S/C16H12O3/c17-14-6-5-10(8-15(14)18)7-12-9-11-3-1-2-4-13(11)16(12)19/h1-8,17-18H,9H2/b12-7-
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8.70E+3n/an/an/an/an/an/an/an/a



University of Technology Sydney

Curated by ChEMBL


Assay Description
Competitive inhibition of mushroom tyrosinase polyphenol oxidase activity using L-DOPA as substrate by Dixon plot analysis


Bioorg Med Chem Lett 25: 5495-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.071
BindingDB Entry DOI: 10.7270/Q2N018C4
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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8.89E+3n/an/an/an/an/an/an/an/a



University of Technology Sydney

Curated by ChEMBL


Assay Description
Competitive inhibition of mushroom tyrosinase assessed as inhibition of L-DOPA oxidase activity at 5 uM active compound by Lineweaver-Burk plot analy...


Bioorg Med Chem Lett 25: 1753-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.02.060
BindingDB Entry DOI: 10.7270/Q2T72K42
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50121845
PNG
(CHEMBL3617130)
Show SMILES COc1ccc(OC)c(\C=C\C(=N/O)\c2cc3ccccc3cc2O)c1
Show InChI InChI=1S/C21H19NO4/c1-25-17-8-10-21(26-2)16(11-17)7-9-19(22-24)18-12-14-5-3-4-6-15(14)13-20(18)23/h3-13,23-24H,1-2H3/b9-7+,22-19+
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9.40E+3n/an/an/an/an/an/an/an/a



University of Technology Sydney

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase assessed as reduction in L-DOPA oxidase activity using L-DOPA substrate at 5 uM by Dixon plot


Bioorg Med Chem Lett 25: 4085-91 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.033
BindingDB Entry DOI: 10.7270/Q2P270ZQ
More data for this
Ligand-Target Pair
Membrane primary amine oxidase


(Rattus norvegicus (Rat))
BDBM16173
PNG
(3,5-diamino-6-chloro-N-(diaminomethylene)pyrazinam...)
Show SMILES NC(=N)NC(=O)c1nc(Cl)c(N)nc1N
Show InChI InChI=1S/C6H8ClN7O/c7-2-4(9)13-3(8)1(12-2)5(15)14-6(10)11/h(H4,8,9,13)(H4,10,11,14,15)
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1.00E+4n/an/an/an/an/an/an/an/a



University of Technology

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against porcine kidney amine oxidase


Bioorg Med Chem Lett 11: 2565-8 (2001)


BindingDB Entry DOI: 10.7270/Q25T3JR2
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50133898
PNG
(CHEMBL3634266)
Show SMILES Oc1ccc(\C=C2\Cc3ccccc3C2=O)c(O)c1
Show InChI InChI=1S/C16H12O3/c17-13-6-5-11(15(18)9-13)8-12-7-10-3-1-2-4-14(10)16(12)19/h1-6,8-9,17-18H,7H2/b12-8-
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1.03E+4n/an/an/an/an/an/an/an/a



University of Technology Sydney

Curated by ChEMBL


Assay Description
Competitive inhibition of mushroom tyrosinase polyphenol oxidase activity using L-DOPA as substrate by Dixon plot analysis


Bioorg Med Chem Lett 25: 5495-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.071
BindingDB Entry DOI: 10.7270/Q2N018C4
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50121844
PNG
(CHEMBL3617129)
Show SMILES COc1ccc(\C=C\C(=N/O)\c2cc3ccccc3cc2O)c(OC)c1
Show InChI InChI=1S/C21H19NO4/c1-25-17-9-7-14(21(13-17)26-2)8-10-19(22-24)18-11-15-5-3-4-6-16(15)12-20(18)23/h3-13,23-24H,1-2H3/b10-8+,22-19+
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1.06E+4n/an/an/an/an/an/an/an/a



University of Technology Sydney

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase assessed as reduction in L-DOPA oxidase activity using L-DOPA substrate at 5 uM by Dixon plot


Bioorg Med Chem Lett 25: 4085-91 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.033
BindingDB Entry DOI: 10.7270/Q2P270ZQ
More data for this
Ligand-Target Pair
Polyphenol oxidase 1 [N65D,S176D,K211T,P277A,P406L]


(Agaricus bisporus (Mushroom))
BDBM173583
PNG
((2E)-3-(2,5-dihydroxyphenyl)-1-(3-hydroxynaphthale...)
Show SMILES Oc1ccc(O)c(\C=C\C(=O)c2cc3ccccc3cc2O)c1
Show InChI InChI=1S/C19H14O4/c20-15-6-8-17(21)14(9-15)5-7-18(22)16-10-12-3-1-2-4-13(12)11-19(16)23/h1-11,20-21,23H/b7-5+
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1.08E+4n/a 2.04E+4n/an/an/an/a6.8n/a



University of Technology Sydney



Assay Description
The mushroom tyrosinase inhibition activity of hydroxy naphthylchalcone compounds was measured using L-DOPA as substrate. The activity assay used 3 m...


Bioorg Chem 63: 116-22 (2015)


Article DOI: 10.1016/j.bioorg.2015.10.003
BindingDB Entry DOI: 10.7270/Q2MS3RH3
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50121848
PNG
(CHEMBL3617038)
Show SMILES O\N=C(/C=C/c1ccccn1)\c1cc2ccccc2cc1O
Show InChI InChI=1S/C18H14N2O2/c21-18-12-14-6-2-1-5-13(14)11-16(18)17(20-22)9-8-15-7-3-4-10-19-15/h1-12,21-22H/b9-8+,20-17+
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1.11E+4n/an/an/an/an/an/an/an/a



University of Technology Sydney

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase assessed as reduction in L-DOPA oxidase activity using L-DOPA substrate at 5 uM by Dixon plot


Bioorg Med Chem Lett 25: 4085-91 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.033
BindingDB Entry DOI: 10.7270/Q2P270ZQ
More data for this
Ligand-Target Pair
Polyphenol oxidase 1 [N65D,S176D,K211T,P277A,P406L]


(Agaricus bisporus (Mushroom))
BDBM173585
PNG
((2E)-1-(3-hydroxynaphthalen-2-yl)-3-(2-hydroxy-4-n...)
Show SMILES Oc1cc(ccc1\C=C\C(=O)c1cc2ccccc2cc1O)[N+]([O-])=O
Show InChI InChI=1S/C19H13NO5/c21-17(8-6-12-5-7-15(20(24)25)11-18(12)22)16-9-13-3-1-2-4-14(13)10-19(16)23/h1-11,22-23H/b8-6+
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1.12E+4n/a 2.29E+4n/an/an/an/a6.8n/a



University of Technology Sydney



Assay Description
The mushroom tyrosinase inhibition activity of hydroxy naphthylchalcone compounds was measured using L-DOPA as substrate. The activity assay used 3 m...


Bioorg Chem 63: 116-22 (2015)


Article DOI: 10.1016/j.bioorg.2015.10.003
BindingDB Entry DOI: 10.7270/Q2MS3RH3
More data for this
Ligand-Target Pair
Polyphenol oxidase 1 [N65D,S176D,K211T,P277A,P406L]


(Agaricus bisporus (Mushroom))
BDBM173586
PNG
((2E)-1-(3-hydroxynaphthalen-2-yl)-3-(4-hydroxy-3-n...)
Show SMILES Oc1ccc(\C=C\C(=O)c2cc3ccccc3cc2O)cc1[N+]([O-])=O
Show InChI InChI=1S/C19H13NO5/c21-17(7-5-12-6-8-18(22)16(9-12)20(24)25)15-10-13-3-1-2-4-14(13)11-19(15)23/h1-11,22-23H/b7-5+
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1.19E+4n/a 2.56E+4n/an/an/an/a6.8n/a



University of Technology Sydney



Assay Description
The mushroom tyrosinase inhibition activity of hydroxy naphthylchalcone compounds was measured using L-DOPA as substrate. The activity assay used 3 m...


Bioorg Chem 63: 116-22 (2015)


Article DOI: 10.1016/j.bioorg.2015.10.003
BindingDB Entry DOI: 10.7270/Q2MS3RH3
More data for this
Ligand-Target Pair
Polyphenol oxidase 1 [N65D,S176D,K211T,P277A,P406L]


(Agaricus bisporus (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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1.22E+4n/a 2.75E+4n/an/an/an/a6.8n/a



University of Technology Sydney



Assay Description
The mushroom tyrosinase inhibition activity of hydroxy naphthylchalcone compounds was measured using L-DOPA as substrate. The activity assay used 3 m...


Bioorg Chem 63: 116-22 (2015)


Article DOI: 10.1016/j.bioorg.2015.10.003
BindingDB Entry DOI: 10.7270/Q2MS3RH3
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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1.22E+4n/an/an/an/an/an/an/an/a



University of Technology Sydney

Curated by ChEMBL


Assay Description
Competitive inhibition of mushroom tyrosinase polyphenol oxidase activity using L-DOPA as substrate by Dixon plot analysis


Bioorg Med Chem Lett 25: 5495-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.071
BindingDB Entry DOI: 10.7270/Q2N018C4
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50121846
PNG
(CHEMBL3617131)
Show SMILES COc1ccc(\C=C\C(=N/O)\c2cc3ccccc3cc2O)cc1OC
Show InChI InChI=1S/C21H19NO4/c1-25-20-10-8-14(11-21(20)26-2)7-9-18(22-24)17-12-15-5-3-4-6-16(15)13-19(17)23/h3-13,23-24H,1-2H3/b9-7+,22-18+
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2.30E+4n/an/an/an/an/an/an/an/a



University of Technology Sydney

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase assessed as reduction in L-DOPA oxidase activity using L-DOPA substrate at 5 uM by Dixon plot


Bioorg Med Chem Lett 25: 4085-91 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.033
BindingDB Entry DOI: 10.7270/Q2P270ZQ
More data for this
Ligand-Target Pair
Membrane primary amine oxidase


(Rattus norvegicus (Rat))
BDBM50104435
PNG
(4-(6-Guanidino-hexanoyloxy)-benzoic acid ethyl est...)
Show SMILES CCOC(=O)c1ccc(OC(=O)CCCCCNC(N)=N)cc1
Show InChI InChI=1S/C16H23N3O4/c1-2-22-15(21)12-7-9-13(10-8-12)23-14(20)6-4-3-5-11-19-16(17)18/h7-10H,2-6,11H2,1H3,(H4,17,18,19)
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2.70E+4n/an/an/an/an/an/an/an/a



University of Technology

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against porcine kidney amine oxidase


Bioorg Med Chem Lett 11: 2565-8 (2001)


BindingDB Entry DOI: 10.7270/Q25T3JR2
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50121847
PNG
(CHEMBL3617132)
Show SMILES COc1cc(OC)cc(\C=C\C(=N/O)\c2cc3ccccc3cc2O)c1
Show InChI InChI=1S/C21H19NO4/c1-25-17-9-14(10-18(13-17)26-2)7-8-20(22-24)19-11-15-5-3-4-6-16(15)12-21(19)23/h3-13,23-24H,1-2H3/b8-7+,22-20+
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2.86E+4n/an/an/an/an/an/an/an/a



University of Technology Sydney

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase assessed as reduction in L-DOPA oxidase activity using L-DOPA substrate at 5 uM by Dixon plot


Bioorg Med Chem Lett 25: 4085-91 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.033
BindingDB Entry DOI: 10.7270/Q2P270ZQ
More data for this
Ligand-Target Pair
Membrane primary amine oxidase


(Rattus norvegicus (Rat))
BDBM50016897
PNG
(2-(2,6-dichloroanilino)-1,3-diazacyclopentene-(2) ...)
Show SMILES Clc1cccc(Cl)c1\[#7]=[#6]-1\[#7]-[#6]-[#6]-[#7]-1
Show InChI InChI=1S/C9H9Cl2N3/c10-6-2-1-3-7(11)8(6)14-9-12-4-5-13-9/h1-3H,4-5H2,(H2,12,13,14)
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9.00E+5n/an/an/an/an/an/an/an/a



University of Technology

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against porcine kidney amine oxidase


Bioorg Med Chem Lett 11: 2565-8 (2001)


BindingDB Entry DOI: 10.7270/Q25T3JR2
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50066275
PNG
(CHEMBL3401548)
Show SMILES OC(\C=C\c1ccccn1)c1ccccc1O
Show InChI InChI=1S/C14H13NO2/c16-13-7-2-1-6-12(13)14(17)9-8-11-5-3-4-10-15-11/h1-10,14,16-17H/b9-8+
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n/an/a 1.70E+3n/an/an/an/an/an/a



University of Technology Sydney

Curated by ChEMBL


Assay Description
Competitive inhibition of mushroom tyrosinase assessed as inhibition of L-DOPA oxidase activity


Bioorg Med Chem Lett 25: 1753-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.02.060
BindingDB Entry DOI: 10.7270/Q2T72K42
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50066274
PNG
(CHEMBL3401549)
Show SMILES OC(\C=C\c1ccncc1)c1ccccc1O
Show InChI InChI=1S/C14H13NO2/c16-13-4-2-1-3-12(13)14(17)6-5-11-7-9-15-10-8-11/h1-10,14,16-17H/b6-5+
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n/an/a 2.30E+3n/an/an/an/an/an/a



University of Technology Sydney

Curated by ChEMBL


Assay Description
Competitive inhibition of mushroom tyrosinase assessed as inhibition of L-DOPA oxidase activity


Bioorg Med Chem Lett 25: 1753-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.02.060
BindingDB Entry DOI: 10.7270/Q2T72K42
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50133897
PNG
(CHEMBL3634267)
Show SMILES Oc1ccc(\C=C2\Cc3ccccc3C2=O)cc1O
Show InChI InChI=1S/C16H12O3/c17-14-6-5-10(8-15(14)18)7-12-9-11-3-1-2-4-13(11)16(12)19/h1-8,17-18H,9H2/b12-7-
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n/an/a 8.20E+3n/an/an/an/an/an/a



University of Technology Sydney

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase diphenolase activity using L-DOPA as substrate


Bioorg Med Chem Lett 25: 5495-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.071
BindingDB Entry DOI: 10.7270/Q2N018C4
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 1.12E+4n/an/an/an/an/an/a



University of Technology Sydney

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase assessed as reduction in L-DOPA oxidase activity using L-DOPA substrate at 5 uM by Dixon plot


Bioorg Med Chem Lett 25: 4085-91 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.033
BindingDB Entry DOI: 10.7270/Q2P270ZQ
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50121842
PNG
(CHEMBL3617039)
Show SMILES O\N=C(/C=C/c1cccnc1)\c1cc2ccccc2cc1O
Show InChI InChI=1S/C18H14N2O2/c21-18-11-15-6-2-1-5-14(15)10-16(18)17(20-22)8-7-13-4-3-9-19-12-13/h1-12,21-22H/b8-7+,20-17+
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n/an/a 1.22E+4n/an/an/an/an/an/a



University of Technology Sydney

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase assessed as reduction in L-DOPA oxidase activity using L-DOPA substrate


Bioorg Med Chem Lett 25: 4085-91 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.033
BindingDB Entry DOI: 10.7270/Q2P270ZQ
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50133898
PNG
(CHEMBL3634266)
Show SMILES Oc1ccc(\C=C2\Cc3ccccc3C2=O)c(O)c1
Show InChI InChI=1S/C16H12O3/c17-13-6-5-11(15(18)9-13)8-12-7-10-3-1-2-4-14(10)16(12)19/h1-6,8-9,17-18H,7H2/b12-8-
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n/an/a 1.23E+4n/an/an/an/an/an/a



University of Technology Sydney

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase diphenolase activity using L-DOPA as substrate


Bioorg Med Chem Lett 25: 5495-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.071
BindingDB Entry DOI: 10.7270/Q2N018C4
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50121843
PNG
(CHEMBL3617128)
Show SMILES O\N=C(/C=C/c1ccncc1)\c1cc2ccccc2cc1O
Show InChI InChI=1S/C18H14N2O2/c21-18-12-15-4-2-1-3-14(15)11-16(18)17(20-22)6-5-13-7-9-19-10-8-13/h1-12,21-22H/b6-5+,20-17+
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n/an/a 1.95E+4n/an/an/an/an/an/a



University of Technology Sydney

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase assessed as reduction in L-DOPA oxidase activity using L-DOPA substrate


Bioorg Med Chem Lett 25: 4085-91 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.033
BindingDB Entry DOI: 10.7270/Q2P270ZQ
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50121848
PNG
(CHEMBL3617038)
Show SMILES O\N=C(/C=C/c1ccccn1)\c1cc2ccccc2cc1O
Show InChI InChI=1S/C18H14N2O2/c21-18-12-14-6-2-1-5-13(14)11-16(18)17(20-22)9-8-15-7-3-4-10-19-15/h1-12,21-22H/b9-8+,20-17+
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n/an/a 2.03E+4n/an/an/an/an/an/a



University of Technology Sydney

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase assessed as reduction in L-DOPA oxidase activity using L-DOPA substrate


Bioorg Med Chem Lett 25: 4085-91 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.033
BindingDB Entry DOI: 10.7270/Q2P270ZQ
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50121845
PNG
(CHEMBL3617130)
Show SMILES COc1ccc(OC)c(\C=C\C(=N/O)\c2cc3ccccc3cc2O)c1
Show InChI InChI=1S/C21H19NO4/c1-25-17-8-10-21(26-2)16(11-17)7-9-19(22-24)18-12-14-5-3-4-6-15(14)13-20(18)23/h3-13,23-24H,1-2H3/b9-7+,22-19+
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n/an/a 2.19E+4n/an/an/an/an/an/a



University of Technology Sydney

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase assessed as reduction in L-DOPA oxidase activity using L-DOPA substrate


Bioorg Med Chem Lett 25: 4085-91 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.033
BindingDB Entry DOI: 10.7270/Q2P270ZQ
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50121844
PNG
(CHEMBL3617129)
Show SMILES COc1ccc(\C=C\C(=N/O)\c2cc3ccccc3cc2O)c(OC)c1
Show InChI InChI=1S/C21H19NO4/c1-25-17-9-7-14(21(13-17)26-2)8-10-19(22-24)18-11-15-5-3-4-6-16(15)12-20(18)23/h3-13,23-24H,1-2H3/b10-8+,22-19+
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n/an/a 2.30E+4n/an/an/an/an/an/a



University of Technology Sydney

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase assessed as reduction in L-DOPA oxidase activity using L-DOPA substrate


Bioorg Med Chem Lett 25: 4085-91 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.033
BindingDB Entry DOI: 10.7270/Q2P270ZQ
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 2.37E+4n/an/an/an/an/an/a



University of Technology Sydney

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase assessed as reduction in L-DOPA oxidase activity using L-DOPA substrate


Bioorg Med Chem Lett 25: 4085-91 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.033
BindingDB Entry DOI: 10.7270/Q2P270ZQ
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 2.73E+4n/an/an/an/an/an/a



University of Technology Sydney

Curated by ChEMBL


Assay Description
Competitive inhibition of mushroom tyrosinase assessed as inhibition of L-DOPA oxidase activity


Bioorg Med Chem Lett 25: 1753-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.02.060
BindingDB Entry DOI: 10.7270/Q2T72K42
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 2.75E+4n/an/an/an/an/an/a



University of Technology Sydney

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase diphenolase activity using L-DOPA as substrate


Bioorg Med Chem Lett 25: 5495-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.071
BindingDB Entry DOI: 10.7270/Q2N018C4
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50121846
PNG
(CHEMBL3617131)
Show SMILES COc1ccc(\C=C\C(=N/O)\c2cc3ccccc3cc2O)cc1OC
Show InChI InChI=1S/C21H19NO4/c1-25-20-10-8-14(11-21(20)26-2)7-9-18(22-24)17-12-15-5-3-4-6-16(15)13-19(17)23/h3-13,23-24H,1-2H3/b9-7+,22-18+
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n/an/a 4.23E+4n/an/an/an/an/an/a



University of Technology Sydney

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase assessed as reduction in L-DOPA oxidase activity using L-DOPA substrate


Bioorg Med Chem Lett 25: 4085-91 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.033
BindingDB Entry DOI: 10.7270/Q2P270ZQ
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50121847
PNG
(CHEMBL3617132)
Show SMILES COc1cc(OC)cc(\C=C\C(=N/O)\c2cc3ccccc3cc2O)c1
Show InChI InChI=1S/C21H19NO4/c1-25-17-9-14(10-18(13-17)26-2)7-8-20(22-24)19-11-15-5-3-4-6-16(15)12-21(19)23/h3-13,23-24H,1-2H3/b8-7+,22-20+
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n/an/a 5.29E+4n/an/an/an/an/an/a



University of Technology Sydney

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase assessed as reduction in L-DOPA oxidase activity using L-DOPA substrate


Bioorg Med Chem Lett 25: 4085-91 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.033
BindingDB Entry DOI: 10.7270/Q2P270ZQ
More data for this
Ligand-Target Pair