Compile Data Set for Download or QSAR

Found 13 hits Enz. Inhib. hit(s) with all data for entry = 50044784   

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))	BDBM50157547 (2-(3,4-dihydroxyphenyl)-7,8-dihydroxy-4H-chromen-4...) Show SMILES Oc1ccc(cc1O)-c1cc(=O)c2ccc(O)c(O)c2o1 Show InChI InChI=1S/C15H10O6/c16-9-3-1-7(5-12(9)19)13-6-11(18)8-2-4-10(17)14(20)15(8)21-13/h1-6,16-17,19-20H	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
Institute for Theoretical Medicine, Inc. Curated by ChEMBL					Assay Description Non-competitive inhibition of mushroom tyrosinase				Bioorg Med Chem 22: 6193-200 (2014) Article DOI: 10.1016/j.bmc.2014.08.027 BindingDB Entry DOI: 10.7270/Q2DV1MG2
					More data for this Ligand-Target Pair
Polyphenol oxidase 2 (Agaricus bisporus (Common mushroom))	BDBM50330795 (2-hydroxy-5-isopropyl-2,4,6-cycloheptatrien-1-one ...) Show SMILES CC(C)c1ccc(O)c(=O)cc1 Show InChI InChI=1S/C10H12O2/c1-7(2)8-3-5-9(11)10(12)6-4-8/h3-7H,1-2H3,(H,11,12)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
Institute for Theoretical Medicine, Inc. Curated by ChEMBL					Assay Description Non-competitive inhibition of mushroom tyrosinase				Bioorg Med Chem 22: 6193-200 (2014) Article DOI: 10.1016/j.bmc.2014.08.027 BindingDB Entry DOI: 10.7270/Q2DV1MG2
					More data for this Ligand-Target Pair
Polyphenol oxidase 2 (Agaricus bisporus (Common mushroom))	BDBM50330794 (2-Hydroxy-4-isopropyl-cyclohepta-2,4,6-trienone | ...) Show SMILES CC(C)c1cccc(=O)c(O)c1 Show InChI InChI=1S/C10H12O2/c1-7(2)8-4-3-5-9(11)10(12)6-8/h3-7H,1-2H3,(H,11,12)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
Institute for Theoretical Medicine, Inc. Curated by ChEMBL					Assay Description Non-competitive inhibition of mushroom tyrosinase				Bioorg Med Chem 22: 6193-200 (2014) Article DOI: 10.1016/j.bmc.2014.08.027 BindingDB Entry DOI: 10.7270/Q2DV1MG2
					More data for this Ligand-Target Pair
Tyrosinase (Homo sapiens (Human))	BDBM50330795 (2-hydroxy-5-isopropyl-2,4,6-cycloheptatrien-1-one ...) Show SMILES CC(C)c1ccc(O)c(=O)cc1 Show InChI InChI=1S/C10H12O2/c1-7(2)8-3-5-9(11)10(12)6-4-8/h3-7H,1-2H3,(H,11,12)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.15E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute for Theoretical Medicine, Inc. Curated by ChEMBL					Assay Description Competitive inhibition of tyrosinase in human G-361 cells incubated for 10 mins measured for 2 hrs by MBTH-based spectrophotometry				Bioorg Med Chem 22: 6193-200 (2014) Article DOI: 10.1016/j.bmc.2014.08.027 BindingDB Entry DOI: 10.7270/Q2DV1MG2
					More data for this Ligand-Target Pair
Polyphenol oxidase 2 (Agaricus bisporus (Common mushroom))	BDBM50192743 (3,4-Dihydroxybenzaldehyde | CHEBI:50205 | Protocat...) Show SMILES Oc1ccc(C=O)cc1O Show InChI InChI=1S/C7H6O3/c8-4-5-1-2-6(9)7(10)3-5/h1-4,9-10H	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.89E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute for Theoretical Medicine, Inc. Curated by ChEMBL					Assay Description Non-competitive inhibition of mushroom tyrosinase				Bioorg Med Chem 22: 6193-200 (2014) Article DOI: 10.1016/j.bmc.2014.08.027 BindingDB Entry DOI: 10.7270/Q2DV1MG2
					More data for this Ligand-Target Pair
Polyphenol oxidase 2 (Agaricus bisporus (Common mushroom))	BDBM50192745 (CHEBI:75844 | CHEMBL3343985) Show SMILES CCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC Show InChI InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16-21,25-30,54H,4-15,22-24,31-53H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,30-27-	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute for Theoretical Medicine, Inc. Curated by ChEMBL					Assay Description Non-competitive inhibition of mushroom tyrosinase				Bioorg Med Chem 22: 6193-200 (2014) Article DOI: 10.1016/j.bmc.2014.08.027 BindingDB Entry DOI: 10.7270/Q2DV1MG2
					More data for this Ligand-Target Pair
Tyrosinase (Homo sapiens (Human))	BDBM50330794 (2-Hydroxy-4-isopropyl-cyclohepta-2,4,6-trienone | ...) Show SMILES CC(C)c1cccc(=O)c(O)c1 Show InChI InChI=1S/C10H12O2/c1-7(2)8-4-3-5-9(11)10(12)6-8/h3-7H,1-2H3,(H,11,12)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8.98E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute for Theoretical Medicine, Inc. Curated by ChEMBL					Assay Description Competitive inhibition of tyrosinase in human G-361 cells incubated for 10 mins measured for 2 hrs by MBTH-based spectrophotometry				Bioorg Med Chem 22: 6193-200 (2014) Article DOI: 10.1016/j.bmc.2014.08.027 BindingDB Entry DOI: 10.7270/Q2DV1MG2
					More data for this Ligand-Target Pair
Tyrosinase (Homo sapiens (Human))	BDBM50192746 (CHEMBL3343986) Show SMILES Oc1ccc2c(CCNC(=O)c3cc(O)cc(O)c3)c[nH]c2c1 Show InChI InChI=1S/C17H16N2O4/c20-12-1-2-15-10(9-19-16(15)8-12)3-4-18-17(23)11-5-13(21)7-14(22)6-11/h1-2,5-9,19-22H,3-4H2,(H,18,23)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	9.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute for Theoretical Medicine, Inc. Curated by ChEMBL					Assay Description Inhibition of tyrosinase in human HMV-2 melanoma cells after 5 mins by spectrophotometry				Bioorg Med Chem 22: 6193-200 (2014) Article DOI: 10.1016/j.bmc.2014.08.027 BindingDB Entry DOI: 10.7270/Q2DV1MG2
					More data for this Ligand-Target Pair
Polyphenol oxidase 2 (Agaricus bisporus (Common mushroom))	BDBM50330793 (2-hydroxy-3-isopropyl-2,4,6-cycloheptatrien-1-one ...) Show SMILES CC(C)c1ccccc(=O)c1O Show InChI InChI=1S/C10H12O2/c1-7(2)8-5-3-4-6-9(11)10(8)12/h3-7H,1-2H3,(H,11,12)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	9.53E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute for Theoretical Medicine, Inc. Curated by ChEMBL					Assay Description Non-competitive inhibition of mushroom tyrosinase				Bioorg Med Chem 22: 6193-200 (2014) Article DOI: 10.1016/j.bmc.2014.08.027 BindingDB Entry DOI: 10.7270/Q2DV1MG2
					More data for this Ligand-Target Pair
Polyphenol oxidase 2 (Agaricus bisporus (Common mushroom))	BDBM50192744 (TRIOLEIN) Show SMILES CCCCCCCC\C(I)=C(\I)CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C(I)=C(\I)CCCCCCCC)OC(=O)CCCCCCC\C(I)=C(\I)CCCCCCCC Show InChI InChI=1S/C57H98I6O6/c1-4-7-10-13-19-28-37-49(58)52(61)40-31-22-16-25-34-43-55(64)67-46-48(69-57(66)45-36-27-18-24-33-42-54(63)51(60)39-30-21-15-12-9-6-3)47-68-56(65)44-35-26-17-23-32-41-53(62)50(59)38-29-20-14-11-8-5-2/h48H,4-47H2,1-3H3/b52-49-,53-50-,54-51-	UniProtKB/SwissProt GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute for Theoretical Medicine, Inc. Curated by ChEMBL					Assay Description Non-competitive inhibition of mushroom tyrosinase				Bioorg Med Chem 22: 6193-200 (2014) Article DOI: 10.1016/j.bmc.2014.08.027 BindingDB Entry DOI: 10.7270/Q2DV1MG2
					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	5.37E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute for Theoretical Medicine, Inc. Curated by ChEMBL					Assay Description Non-competitive inhibition of mushroom tyrosinase				Bioorg Med Chem 22: 6193-200 (2014) Article DOI: 10.1016/j.bmc.2014.08.027 BindingDB Entry DOI: 10.7270/Q2DV1MG2
					More data for this Ligand-Target Pair
Tyrosinase (Homo sapiens (Human))	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	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	5.71E+5	n/a	n/a	n/a	n/a	n/a	n/a
Institute for Theoretical Medicine, Inc. Curated by ChEMBL					Assay Description Competitive inhibition of tyrosinase in human G-361 cells incubated for 10 mins measured for 2 hrs by MBTH-based spectrophotometry				Bioorg Med Chem 22: 6193-200 (2014) Article DOI: 10.1016/j.bmc.2014.08.027 BindingDB Entry DOI: 10.7270/Q2DV1MG2
					More data for this Ligand-Target Pair
Tyrosinase (Homo sapiens (Human))	BDBM50330793 (2-hydroxy-3-isopropyl-2,4,6-cycloheptatrien-1-one ...) Show SMILES CC(C)c1ccccc(=O)c1O Show InChI InChI=1S/C10H12O2/c1-7(2)8-5-3-4-6-9(11)10(8)12/h3-7H,1-2H3,(H,11,12)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
Institute for Theoretical Medicine, Inc. Curated by ChEMBL					Assay Description Competitive inhibition of tyrosinase in human G-361 cells incubated for 10 mins measured for 2 hrs by MBTH-based spectrophotometry				Bioorg Med Chem 22: 6193-200 (2014) Article DOI: 10.1016/j.bmc.2014.08.027 BindingDB Entry DOI: 10.7270/Q2DV1MG2
					More data for this Ligand-Target Pair