Compile Data Set for Download or QSAR
Found 14 Enz. Inhib. hit(s) with all data for entry = 50013629
TargetPolyphenol oxidase 2(Agaricus bisporus (Common mushroom))
Kongju National University

Curated by ChEMBL
LigandPNGBDBM50568146(CHEMBL1481541)
Show SMILES COc1ccccc1-c1nnc(SCC(=O)Nc2ccccc2)o1
Show InChI InChI=1S/C17H15N3O3S/c1-22-14-10-6-5-9-13(14)16-19-20-17(23-16)24-11-15(21)18-12-7-3-2-4-8-12/h2-10H,11H2,1H3,(H,18,21)
Affinity DataKi:  3.10nMAssay Description:Noncompetitive inhibition of mushroom tyrosinase assessed as dissociation constant using L-DOPA as substrate by Lineweaver-Burk plot analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetPolyphenol oxidase 2(Agaricus bisporus (Common mushroom))
Kongju National University

Curated by ChEMBL
LigandPNGBDBM50568146(CHEMBL1481541)
Show SMILES COc1ccccc1-c1nnc(SCC(=O)Nc2ccccc2)o1
Show InChI InChI=1S/C17H15N3O3S/c1-22-14-10-6-5-9-13(14)16-19-20-17(23-16)24-11-15(21)18-12-7-3-2-4-8-12/h2-10H,11H2,1H3,(H,18,21)
Affinity DataIC50: 3nMAssay Description:Inhibition of mushroom tyrosinase using L-DOPA as substrateMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetPolyphenol oxidase 2(Agaricus bisporus (Common mushroom))
Kongju National University

Curated by ChEMBL
LigandPNGBDBM50568147(CHEMBL4877433)
Show SMILES COc1ccccc1-c1nnc(SCC(=O)Nc2ccc(F)cc2)o1
Show InChI InChI=1S/C17H14FN3O3S/c1-23-14-5-3-2-4-13(14)16-20-21-17(24-16)25-10-15(22)19-12-8-6-11(18)7-9-12/h2-9H,10H2,1H3,(H,19,22)
Affinity DataIC50: 18nMAssay Description:Inhibition of mushroom tyrosinase using L-DOPA as substrateMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetPolyphenol oxidase 2(Agaricus bisporus (Common mushroom))
Kongju National University

Curated by ChEMBL
LigandPNGBDBM50568150(CHEMBL4857732)
Show SMILES COc1cccc(c1)-c1nnc(SCC(=O)Nc2ccccc2)o1
Show InChI InChI=1S/C17H15N3O3S/c1-22-14-9-5-6-12(10-14)16-19-20-17(23-16)24-11-15(21)18-13-7-3-2-4-8-13/h2-10H,11H2,1H3,(H,18,21)
Affinity DataIC50: 19nMAssay Description:Inhibition of mushroom tyrosinase using L-DOPA as substrateMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetPolyphenol oxidase 2(Agaricus bisporus (Common mushroom))
Kongju National University

Curated by ChEMBL
LigandPNGBDBM50568149(CHEMBL4878458)
Show SMILES COc1ccccc1-c1nnc(SCC(=O)Nc2ccc(I)cc2)o1
Show InChI InChI=1S/C17H14IN3O3S/c1-23-14-5-3-2-4-13(14)16-20-21-17(24-16)25-10-15(22)19-12-8-6-11(18)7-9-12/h2-9H,10H2,1H3,(H,19,22)
Affinity DataIC50: 23nMAssay Description:Inhibition of mushroom tyrosinase using L-DOPA as substrateMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetPolyphenol oxidase 2(Agaricus bisporus (Common mushroom))
Kongju National University

Curated by ChEMBL
LigandPNGBDBM50568151(CHEMBL4849416)
Show SMILES COc1cccc(c1)-c1nnc(SCC(=O)Nc2ccc(F)cc2)o1
Show InChI InChI=1S/C17H14FN3O3S/c1-23-14-4-2-3-11(9-14)16-20-21-17(24-16)25-10-15(22)19-13-7-5-12(18)6-8-13/h2-9H,10H2,1H3,(H,19,22)
Affinity DataIC50: 27nMAssay Description:Inhibition of mushroom tyrosinase using L-DOPA as substrateMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetPolyphenol oxidase 2(Agaricus bisporus (Common mushroom))
Kongju National University

Curated by ChEMBL
LigandPNGBDBM50568144(CHEMBL4867234)
Show SMILES Brc1ccc(NC(=O)CSc2nnc(o2)-c2ccccc2)cc1
Show InChI InChI=1S/C16H12BrN3O2S/c17-12-6-8-13(9-7-12)18-14(21)10-23-16-20-19-15(22-16)11-4-2-1-3-5-11/h1-9H,10H2,(H,18,21)
Affinity DataIC50: 39nMAssay Description:Inhibition of mushroom tyrosinase using L-DOPA as substrateMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetPolyphenol oxidase 2(Agaricus bisporus (Common mushroom))
Kongju National University

Curated by ChEMBL
LigandPNGBDBM50568148(CHEMBL4859278)
Show SMILES COc1ccccc1-c1nnc(SCC(=O)Nc2ccc(Br)cc2)o1
Show InChI InChI=1S/C17H14BrN3O3S/c1-23-14-5-3-2-4-13(14)16-20-21-17(24-16)25-10-15(22)19-12-8-6-11(18)7-9-12/h2-9H,10H2,1H3,(H,19,22)
Affinity DataIC50: 46nMAssay Description:Inhibition of mushroom tyrosinase using L-DOPA as substrateMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetPolyphenol oxidase 2(Agaricus bisporus (Common mushroom))
Kongju National University

Curated by ChEMBL
LigandPNGBDBM50568145(CHEMBL4868399)
Show SMILES Ic1ccc(NC(=O)CSc2nnc(o2)-c2ccccc2)cc1
Show InChI InChI=1S/C16H12IN3O2S/c17-12-6-8-13(9-7-12)18-14(21)10-23-16-20-19-15(22-16)11-4-2-1-3-5-11/h1-9H,10H2,(H,18,21)
Affinity DataIC50: 85nMAssay Description:Inhibition of mushroom tyrosinase using L-DOPA as substrateMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetPolyphenol oxidase 2(Agaricus bisporus (Common mushroom))
Kongju National University

Curated by ChEMBL
LigandPNGBDBM50568153(CHEMBL4868225)
Show SMILES COc1cccc(c1)-c1nnc(SCC(=O)Nc2ccc(I)cc2)o1
Show InChI InChI=1S/C17H14IN3O3S/c1-23-14-4-2-3-11(9-14)16-20-21-17(24-16)25-10-15(22)19-13-7-5-12(18)6-8-13/h2-9H,10H2,1H3,(H,19,22)
Affinity DataIC50: 88nMAssay Description:Inhibition of mushroom tyrosinase using L-DOPA as substrateMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetPolyphenol oxidase 2(Agaricus bisporus (Common mushroom))
Kongju National University

Curated by ChEMBL
LigandPNGBDBM50568152(CHEMBL4869604)
Show SMILES COc1cccc(c1)-c1nnc(SCC(=O)Nc2ccc(Br)cc2)o1
Show InChI InChI=1S/C17H14BrN3O3S/c1-23-14-4-2-3-11(9-14)16-20-21-17(24-16)25-10-15(22)19-13-7-5-12(18)6-8-13/h2-9H,10H2,1H3,(H,19,22)
Affinity DataIC50: 145nMAssay Description:Inhibition of mushroom tyrosinase using L-DOPA as substrateMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetPolyphenol oxidase 2(Agaricus bisporus (Common mushroom))
Kongju National University

Curated by ChEMBL
LigandPNGBDBM50568142(CHEMBL4873230)
Show SMILES O=C(CSc1nnc(o1)-c1ccccc1)Nc1ccccc1
Show InChI InChI=1S/C16H13N3O2S/c20-14(17-13-9-5-2-6-10-13)11-22-16-19-18-15(21-16)12-7-3-1-4-8-12/h1-10H,11H2,(H,17,20)
Affinity DataIC50: 231nMAssay Description:Inhibition of mushroom tyrosinase using L-DOPA as substrateMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetPolyphenol oxidase 2(Agaricus bisporus (Common mushroom))
Kongju National University

Curated by ChEMBL
LigandPNGBDBM50568143(CHEMBL4855658)
Show SMILES Fc1ccc(NC(=O)CSc2nnc(o2)-c2ccccc2)cc1
Show InChI InChI=1S/C16H12FN3O2S/c17-12-6-8-13(9-7-12)18-14(21)10-23-16-20-19-15(22-16)11-4-2-1-3-5-11/h1-9H,10H2,(H,18,21)
Affinity DataIC50: 396nMAssay Description:Inhibition of mushroom tyrosinase using L-DOPA as substrateMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetPolyphenol oxidase 2(Agaricus bisporus (Common mushroom))
Kongju National University

Curated by ChEMBL
LigandPNGBDBM50031467(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
Affinity DataIC50: 1.68E+4nMAssay Description:Inhibition of mushroom tyrosinase using L-DOPA as substrateMore data for this Ligand-Target Pair