Compile Data Set for Download or QSAR

Found 23 hits Enz. Inhib. hit(s) with all data for entry = 50002066   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Polyphenol oxidase 2 (Agaricus bisporus (Common mushroom))	BDBM50452912 (CHEMBL4217531) Show SMILES COc1ccccc1C(=O)N1CCN(Cc2ccc(F)cc2)CC1 Show InChI InChI=1S/C19H21FN2O2/c1-24-18-5-3-2-4-17(18)19(23)22-12-10-21(11-13-22)14-15-6-8-16(20)9-7-15/h2-9H,10-14H2,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.03E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit� di Messina Curated by ChEMBL					Assay Description Inhibition of mushroom tyrosinase diphenolase activity using L-DOPA as substrate preincubated with substrate for 10 mins followed by protein addition...				J Med Chem 61: 3908-3917 (2018) Article DOI: 10.1021/acs.jmedchem.7b01745 BindingDB Entry DOI: 10.7270/Q2V127DR
					More data for this Ligand-Target Pair
Polyphenol oxidase 2 (Agaricus bisporus (Common mushroom))	BDBM50452909 (CHEMBL4204385) Show SMILES Fc1ccc(CN2CCN(CC2)C(=O)c2ccccc2F)cc1 Show InChI InChI=1S/C18H18F2N2O/c19-15-7-5-14(6-8-15)13-21-9-11-22(12-10-21)18(23)16-3-1-2-4-17(16)20/h1-8H,9-13H2	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.75E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit� di Messina Curated by ChEMBL					Assay Description Inhibition of mushroom tyrosinase diphenolase activity using L-DOPA as substrate preincubated with substrate for 10 mins followed by protein addition...				J Med Chem 61: 3908-3917 (2018) Article DOI: 10.1021/acs.jmedchem.7b01745 BindingDB Entry DOI: 10.7270/Q2V127DR
					More data for this Ligand-Target Pair
Polyphenol oxidase 2 (Agaricus bisporus (Common mushroom))	BDBM50452910 (CHEMBL4214383) Show SMILES Cc1ccccc1C(=O)N1CCN(Cc2ccc(F)cc2)CC1 Show InChI InChI=1S/C19H21FN2O/c1-15-4-2-3-5-18(15)19(23)22-12-10-21(11-13-22)14-16-6-8-17(20)9-7-16/h2-9H,10-14H2,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	5.25E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit� di Messina Curated by ChEMBL					Assay Description Inhibition of mushroom tyrosinase diphenolase activity using L-DOPA as substrate preincubated with substrate for 10 mins followed by protein addition...				J Med Chem 61: 3908-3917 (2018) Article DOI: 10.1021/acs.jmedchem.7b01745 BindingDB Entry DOI: 10.7270/Q2V127DR
					More data for this Ligand-Target Pair
Polyphenol oxidase 2 (Agaricus bisporus (Common mushroom))	BDBM50452913 (CHEMBL4217985) Show SMILES Oc1ccccc1C(=O)N1CCN(Cc2ccc(F)cc2)CC1 Show InChI InChI=1S/C18H19FN2O2/c19-15-7-5-14(6-8-15)13-20-9-11-21(12-10-20)18(23)16-3-1-2-4-17(16)22/h1-8,22H,9-13H2	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.06E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit� di Messina Curated by ChEMBL					Assay Description Inhibition of mushroom tyrosinase diphenolase activity using L-DOPA as substrate preincubated with substrate for 10 mins followed by protein addition...				J Med Chem 61: 3908-3917 (2018) Article DOI: 10.1021/acs.jmedchem.7b01745 BindingDB Entry DOI: 10.7270/Q2V127DR
					More data for this Ligand-Target Pair
Polyphenol oxidase 2 (Agaricus bisporus (Common mushroom))	BDBM50452922 (CHEMBL4207788) Show SMILES Fc1ccc(CN2CCN(CC2)C(=O)c2ccc(F)cc2)cc1 Show InChI InChI=1S/C18H18F2N2O/c19-16-5-1-14(2-6-16)13-21-9-11-22(12-10-21)18(23)15-3-7-17(20)8-4-15/h1-8H,9-13H2	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.77E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit� di Messina Curated by ChEMBL					Assay Description Inhibition of mushroom tyrosinase diphenolase activity using L-DOPA as substrate preincubated with substrate for 10 mins followed by protein addition...				J Med Chem 61: 3908-3917 (2018) Article DOI: 10.1021/acs.jmedchem.7b01745 BindingDB Entry DOI: 10.7270/Q2V127DR
					More data for this Ligand-Target Pair
Polyphenol oxidase 2 (Agaricus bisporus (Common mushroom))	BDBM50452920 (CHEMBL4206277) Show SMILES COc1ccc(cc1)C(=O)N1CCN(Cc2ccc(F)cc2)CC1 Show InChI InChI=1S/C19H21FN2O2/c1-24-18-8-4-16(5-9-18)19(23)22-12-10-21(11-13-22)14-15-2-6-17(20)7-3-15/h2-9H,10-14H2,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.14E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit� di Messina Curated by ChEMBL					Assay Description Inhibition of mushroom tyrosinase diphenolase activity using L-DOPA as substrate preincubated with substrate for 10 mins followed by protein addition...				J Med Chem 61: 3908-3917 (2018) Article DOI: 10.1021/acs.jmedchem.7b01745 BindingDB Entry DOI: 10.7270/Q2V127DR
					More data for this Ligand-Target Pair
Polyphenol oxidase 2 (Agaricus bisporus (Common mushroom))	BDBM50452914 (CHEMBL4216024) Show SMILES Oc1cccc(c1)C(=O)N1CCN(Cc2ccc(F)cc2)CC1 Show InChI InChI=1S/C18H19FN2O2/c19-16-6-4-14(5-7-16)13-20-8-10-21(11-9-20)18(23)15-2-1-3-17(22)12-15/h1-7,12,22H,8-11,13H2	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.26E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit� di Messina Curated by ChEMBL					Assay Description Inhibition of mushroom tyrosinase diphenolase activity using L-DOPA as substrate preincubated with substrate for 10 mins followed by protein addition...				J Med Chem 61: 3908-3917 (2018) Article DOI: 10.1021/acs.jmedchem.7b01745 BindingDB Entry DOI: 10.7270/Q2V127DR
					More data for this Ligand-Target Pair
Polyphenol oxidase 2 (Agaricus bisporus (Common mushroom))	BDBM50452918 (CHEMBL4216581) Show SMILES Fc1ccc(CN2CCN(CC2)C(=O)c2ccccc2)cc1 Show InChI InChI=1S/C18H19FN2O/c19-17-8-6-15(7-9-17)14-20-10-12-21(13-11-20)18(22)16-4-2-1-3-5-16/h1-9H,10-14H2	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.33E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit� di Messina Curated by ChEMBL					Assay Description Inhibition of mushroom tyrosinase diphenolase activity using L-DOPA as substrate preincubated with substrate for 10 mins followed by protein addition...				J Med Chem 61: 3908-3917 (2018) Article DOI: 10.1021/acs.jmedchem.7b01745 BindingDB Entry DOI: 10.7270/Q2V127DR
					More data for this Ligand-Target Pair
Polyphenol oxidase 2 (Agaricus bisporus (Common mushroom))	BDBM50031467 (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 AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.78E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit� di Messina Curated by ChEMBL					Assay Description Inhibition of mushroom tyrosinase diphenolase activity using L-DOPA as substrate preincubated with substrate for 10 mins followed by protein addition...				J Med Chem 61: 3908-3917 (2018) Article DOI: 10.1021/acs.jmedchem.7b01745 BindingDB Entry DOI: 10.7270/Q2V127DR
					More data for this Ligand-Target Pair
Polyphenol oxidase 2 (Agaricus bisporus (Common mushroom))	BDBM50452906 (CHEMBL4207307) Show SMILES Fc1ccc(CC2CCN(CC2)C(=O)c2ccccc2)cc1 Show InChI InChI=1S/C19H20FNO/c20-18-8-6-15(7-9-18)14-16-10-12-21(13-11-16)19(22)17-4-2-1-3-5-17/h1-9,16H,10-14H2	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.95E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit� di Messina Curated by ChEMBL					Assay Description Inhibition of mushroom tyrosinase diphenolase activity using L-DOPA as substrate preincubated with substrate for 10 mins followed by protein addition...				J Med Chem 61: 3908-3917 (2018) Article DOI: 10.1021/acs.jmedchem.7b01745 BindingDB Entry DOI: 10.7270/Q2V127DR
					More data for this Ligand-Target Pair
Polyphenol oxidase 2 (Agaricus bisporus (Common mushroom))	BDBM50452905 (CHEMBL4202959) Show SMILES CCC(=O)N1CCC(Cc2ccc(F)cc2)CC1 Show InChI InChI=1S/C15H20FNO/c1-2-15(18)17-9-7-13(8-10-17)11-12-3-5-14(16)6-4-12/h3-6,13H,2,7-11H2,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.41E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit� di Messina Curated by ChEMBL					Assay Description Inhibition of mushroom tyrosinase diphenolase activity using L-DOPA as substrate preincubated with substrate for 10 mins followed by protein addition...				J Med Chem 61: 3908-3917 (2018) Article DOI: 10.1021/acs.jmedchem.7b01745 BindingDB Entry DOI: 10.7270/Q2V127DR
					More data for this Ligand-Target Pair
Polyphenol oxidase 2 (Agaricus bisporus (Common mushroom))	BDBM50452902 (CHEMBL4212506) Show SMILES CC(=O)N1CCC(Cc2ccc(F)cc2)CC1 Show InChI InChI=1S/C14H18FNO/c1-11(17)16-8-6-13(7-9-16)10-12-2-4-14(15)5-3-12/h2-5,13H,6-10H2,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	2.51E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit� di Messina Curated by ChEMBL					Assay Description Inhibition of mushroom tyrosinase diphenolase activity using L-DOPA as substrate preincubated with substrate for 10 mins followed by protein addition...				J Med Chem 61: 3908-3917 (2018) Article DOI: 10.1021/acs.jmedchem.7b01745 BindingDB Entry DOI: 10.7270/Q2V127DR
					More data for this Ligand-Target Pair
Polyphenol oxidase 2 (Agaricus bisporus (Common mushroom))	BDBM50452916 (CHEMBL4210485) Show SMILES COc1cccc(c1)C(=O)N1CCN(Cc2ccc(F)cc2)CC1 Show InChI InChI=1S/C19H21FN2O2/c1-24-18-4-2-3-16(13-18)19(23)22-11-9-21(10-12-22)14-15-5-7-17(20)8-6-15/h2-8,13H,9-12,14H2,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit� di Messina Curated by ChEMBL					Assay Description Inhibition of mushroom tyrosinase diphenolase activity using L-DOPA as substrate preincubated with substrate for 10 mins followed by protein addition...				J Med Chem 61: 3908-3917 (2018) Article DOI: 10.1021/acs.jmedchem.7b01745 BindingDB Entry DOI: 10.7270/Q2V127DR
					More data for this Ligand-Target Pair
Polyphenol oxidase 2 (Agaricus bisporus (Common mushroom))	BDBM50452904 (CHEMBL4213598) Show SMILES Oc1ccc(cc1)C(=O)N1CCN(Cc2ccc(F)cc2)CC1 Show InChI InChI=1S/C18H19FN2O2/c19-16-5-1-14(2-6-16)13-20-9-11-21(12-10-20)18(23)15-3-7-17(22)8-4-15/h1-8,22H,9-13H2	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.74E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit� di Messina Curated by ChEMBL					Assay Description Inhibition of mushroom tyrosinase diphenolase activity using L-DOPA as substrate preincubated with substrate for 10 mins followed by protein addition...				J Med Chem 61: 3908-3917 (2018) Article DOI: 10.1021/acs.jmedchem.7b01745 BindingDB Entry DOI: 10.7270/Q2V127DR
					More data for this Ligand-Target Pair
Polyphenol oxidase 2 (Agaricus bisporus (Common mushroom))	BDBM50452903 (CHEMBL4216123) Show SMILES CC(C)C(=O)N1CCN(Cc2ccc(F)cc2)CC1 Show InChI InChI=1S/C15H21FN2O/c1-12(2)15(19)18-9-7-17(8-10-18)11-13-3-5-14(16)6-4-13/h3-6,12H,7-11H2,1-2H3	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.09E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit� di Messina Curated by ChEMBL					Assay Description Inhibition of mushroom tyrosinase diphenolase activity using L-DOPA as substrate preincubated with substrate for 10 mins followed by protein addition...				J Med Chem 61: 3908-3917 (2018) Article DOI: 10.1021/acs.jmedchem.7b01745 BindingDB Entry DOI: 10.7270/Q2V127DR
					More data for this Ligand-Target Pair
Polyphenol oxidase 2 (Agaricus bisporus (Common mushroom))	BDBM50452911 (CHEMBL4207492) Show SMILES Cc1ccc(cc1)C(=O)N1CCN(Cc2ccc(F)cc2)CC1 Show InChI InChI=1S/C19H21FN2O/c1-15-2-6-17(7-3-15)19(23)22-12-10-21(11-13-22)14-16-4-8-18(20)9-5-16/h2-9H,10-14H2,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.31E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit� di Messina Curated by ChEMBL					Assay Description Inhibition of mushroom tyrosinase diphenolase activity using L-DOPA as substrate preincubated with substrate for 10 mins followed by protein addition...				J Med Chem 61: 3908-3917 (2018) Article DOI: 10.1021/acs.jmedchem.7b01745 BindingDB Entry DOI: 10.7270/Q2V127DR
					More data for this Ligand-Target Pair
Polyphenol oxidase 2 (Agaricus bisporus (Common mushroom))	BDBM50452917 (CHEMBL4212198) Show SMILES CC(C)C(=O)N1CCC(Cc2ccc(F)cc2)CC1 Show InChI InChI=1S/C16H22FNO/c1-12(2)16(19)18-9-7-14(8-10-18)11-13-3-5-15(17)6-4-13/h3-6,12,14H,7-11H2,1-2H3	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.53E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit� di Messina Curated by ChEMBL					Assay Description Inhibition of mushroom tyrosinase diphenolase activity using L-DOPA as substrate preincubated with substrate for 10 mins followed by protein addition...				J Med Chem 61: 3908-3917 (2018) Article DOI: 10.1021/acs.jmedchem.7b01745 BindingDB Entry DOI: 10.7270/Q2V127DR
					More data for this Ligand-Target Pair
Polyphenol oxidase 2 (Agaricus bisporus (Common mushroom))	BDBM50452908 (CHEMBL4211662) Show SMILES CC(=O)N1CCN(Cc2ccc(F)cc2)CC1 Show InChI InChI=1S/C13H17FN2O/c1-11(17)16-8-6-15(7-9-16)10-12-2-4-13(14)5-3-12/h2-5H,6-10H2,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.59E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit� di Messina Curated by ChEMBL					Assay Description Inhibition of mushroom tyrosinase diphenolase activity using L-DOPA as substrate preincubated with substrate for 10 mins followed by protein addition...				J Med Chem 61: 3908-3917 (2018) Article DOI: 10.1021/acs.jmedchem.7b01745 BindingDB Entry DOI: 10.7270/Q2V127DR
					More data for this Ligand-Target Pair
Polyphenol oxidase 2 (Agaricus bisporus (Common mushroom))	BDBM50452915 (CHEMBL4204455) Show SMILES CCC(=O)N1CCN(Cc2ccc(F)cc2)CC1 Show InChI InChI=1S/C14H19FN2O/c1-2-14(18)17-9-7-16(8-10-17)11-12-3-5-13(15)6-4-12/h3-6H,2,7-11H2,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	5.11E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit� di Messina Curated by ChEMBL					Assay Description Inhibition of mushroom tyrosinase diphenolase activity using L-DOPA as substrate preincubated with substrate for 10 mins followed by protein addition...				J Med Chem 61: 3908-3917 (2018) Article DOI: 10.1021/acs.jmedchem.7b01745 BindingDB Entry DOI: 10.7270/Q2V127DR
					More data for this Ligand-Target Pair
Tyrosinase (Bacillus megaterium)	BDBM50031467 (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	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	5.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit� di Messina Curated by ChEMBL					Assay Description Inhibition of Bacillus megaterium tyrosinase diphenolase activity using L-DOPA as substrate by spectrophotometric method				J Med Chem 61: 3908-3917 (2018) Article DOI: 10.1021/acs.jmedchem.7b01745 BindingDB Entry DOI: 10.7270/Q2V127DR
					More data for this Ligand-Target Pair				3D Structure (crystal)
Polyphenol oxidase 2 (Agaricus bisporus (Common mushroom))	BDBM50452919 (CHEMBL4209258) Show SMILES Fc1ccc(CN2CCN(CC2)C(=O)c2cccc(F)c2)cc1 Show InChI InChI=1S/C18H18F2N2O/c19-16-6-4-14(5-7-16)13-21-8-10-22(11-9-21)18(23)15-2-1-3-17(20)12-15/h1-7,12H,8-11,13H2	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.47E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit� di Messina Curated by ChEMBL					Assay Description Inhibition of mushroom tyrosinase diphenolase activity using L-DOPA as substrate preincubated with substrate for 10 mins followed by protein addition...				J Med Chem 61: 3908-3917 (2018) Article DOI: 10.1021/acs.jmedchem.7b01745 BindingDB Entry DOI: 10.7270/Q2V127DR
					More data for this Ligand-Target Pair
Polyphenol oxidase 2 (Agaricus bisporus (Common mushroom))	BDBM50452907 (CHEMBL4216642) Show SMILES Fc1ccc(CN2CCNCC2)cc1 Show InChI InChI=1S/C11H15FN2/c12-11-3-1-10(2-4-11)9-14-7-5-13-6-8-14/h1-4,13H,5-9H2	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.55E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit� di Messina Curated by ChEMBL					Assay Description Inhibition of mushroom tyrosinase diphenolase activity using L-DOPA as substrate preincubated with substrate for 10 mins followed by protein addition...				J Med Chem 61: 3908-3917 (2018) Article DOI: 10.1021/acs.jmedchem.7b01745 BindingDB Entry DOI: 10.7270/Q2V127DR
					More data for this Ligand-Target Pair
Polyphenol oxidase 2 (Agaricus bisporus (Common mushroom))	BDBM50452921 (CHEMBL4212134) Show SMILES Cc1cccc(c1)C(=O)N1CCN(Cc2ccc(F)cc2)CC1 Show InChI InChI=1S/C19H21FN2O/c1-15-3-2-4-17(13-15)19(23)22-11-9-21(10-12-22)14-16-5-7-18(20)8-6-16/h2-8,13H,9-12,14H2,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.74E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universit� di Messina Curated by ChEMBL					Assay Description Inhibition of mushroom tyrosinase diphenolase activity using L-DOPA as substrate preincubated with substrate for 10 mins followed by protein addition...				J Med Chem 61: 3908-3917 (2018) Article DOI: 10.1021/acs.jmedchem.7b01745 BindingDB Entry DOI: 10.7270/Q2V127DR
					More data for this Ligand-Target Pair