Compile Data Set for Download or QSAR

Found 12 hits Enz. Inhib. hit(s) with all data for entry = 50046593   

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
Tyrosinase (Homo sapiens (Human))	BDBM50292636 (4-hexyl resorcinol | ACRISORCIN | CHEMBL443605) Show SMILES CCCCCCc1ccc(O)cc1O Show InChI InChI=1S/C12H18O2/c1-2-3-4-5-6-10-7-8-11(13)9-12(10)14/h7-9,13-14H,2-6H2,1H3	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	560	n/a	n/a	n/a	n/a	n/a	n/a
Tokyo University of Agriculture and Technology Curated by ChEMBL					Assay Description Inhibition of tyrosinase (unknown origin) using L-DOPA as substrate assessed as formation of dopachrome by spectrophotometric analysis				Bioorg Med Chem 23: 6650-8 (2015) Article DOI: 10.1016/j.bmc.2015.09.014 BindingDB Entry DOI: 10.7270/Q2DR2X9W
					More data for this Ligand-Target Pair
Tyrosinase (Homo sapiens (Human))	BDBM50120802 (CHEMBL3100130) Show SMILES [H][C@@]1(O[C@H](C)CCc2ccc(O)cc2O)O[C@H](CO)[C@@H](O[C@]2([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O |r| Show InChI InChI=1S/C22H34O13/c1-9(2-3-10-4-5-11(25)6-12(10)26)32-21-19(31)17(29)20(14(8-24)34-21)35-22-18(30)16(28)15(27)13(7-23)33-22/h4-6,9,13-31H,2-3,7-8H2,1H3/t9-,13-,14-,15-,16+,17-,18-,19-,20-,21-,22+/m1/s1	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.51E+3	n/a	n/a	n/a	n/a	n/a	n/a
Tokyo University of Agriculture and Technology Curated by ChEMBL					Assay Description Inhibition of tyrosinase (unknown origin) using L-DOPA as substrate assessed as formation of dopachrome by spectrophotometric analysis				Bioorg Med Chem 23: 6650-8 (2015) Article DOI: 10.1016/j.bmc.2015.09.014 BindingDB Entry DOI: 10.7270/Q2DR2X9W
					More data for this Ligand-Target Pair
Tyrosinase (Homo sapiens (Human))	BDBM50120803 (CHEMBL3100134) Show SMILES [H][C@@]1(O[C@H](C)CCc2ccc(O)cc2O)OC[C@@H](O)[C@H](O)[C@H]1O |r| Show InChI InChI=1S/C15H22O7/c1-8(2-3-9-4-5-10(16)6-11(9)17)22-15-14(20)13(19)12(18)7-21-15/h4-6,8,12-20H,2-3,7H2,1H3/t8-,12-,13+,14-,15+/m1/s1	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.72E+3	n/a	n/a	n/a	n/a	n/a	n/a
Tokyo University of Agriculture and Technology Curated by ChEMBL					Assay Description Inhibition of tyrosinase (unknown origin) using L-DOPA as substrate assessed as formation of dopachrome by spectrophotometric analysis				Bioorg Med Chem 23: 6650-8 (2015) Article DOI: 10.1016/j.bmc.2015.09.014 BindingDB Entry DOI: 10.7270/Q2DR2X9W
					More data for this Ligand-Target Pair
Tyrosinase (Homo sapiens (Human))	BDBM50120804 (CHEMBL3618459) Show SMILES C[C@@H](O)CCc1ccc(O)cc1O |r| Show InChI InChI=1S/C10H14O3/c1-7(11)2-3-8-4-5-9(12)6-10(8)13/h4-7,11-13H,2-3H2,1H3/t7-/m1/s1	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.78E+3	n/a	n/a	n/a	n/a	n/a	n/a
Tokyo University of Agriculture and Technology Curated by ChEMBL					Assay Description Inhibition of tyrosinase (unknown origin) using L-DOPA as substrate assessed as formation of dopachrome by spectrophotometric analysis				Bioorg Med Chem 23: 6650-8 (2015) Article DOI: 10.1016/j.bmc.2015.09.014 BindingDB Entry DOI: 10.7270/Q2DR2X9W
					More data for this Ligand-Target Pair
Tyrosinase (Homo sapiens (Human))	BDBM50120800 (CHEMBL3618460) Show SMILES [H][C@]1(O[C@@H]2[C@@H](CO)O[C@@H](O[C@H](C)CCc3ccc(O)cc3O)[C@H](O)[C@H]2O)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r| Show InChI InChI=1S/C22H34O13/c1-9(2-3-10-4-5-11(25)6-12(10)26)32-21-19(31)17(29)20(14(8-24)34-21)35-22-18(30)16(28)15(27)13(7-23)33-22/h4-6,9,13-31H,2-3,7-8H2,1H3/t9-,13-,14-,15-,16+,17-,18-,19-,20-,21-,22-/m1/s1	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.98E+3	n/a	n/a	n/a	n/a	n/a	n/a
Tokyo University of Agriculture and Technology Curated by ChEMBL					Assay Description Inhibition of tyrosinase (unknown origin) using L-DOPA as substrate assessed as formation of dopachrome by spectrophotometric analysis				Bioorg Med Chem 23: 6650-8 (2015) Article DOI: 10.1016/j.bmc.2015.09.014 BindingDB Entry DOI: 10.7270/Q2DR2X9W
					More data for this Ligand-Target Pair
Tyrosinase (Homo sapiens (Human))	BDBM50120813 (CHEMBL3618457) Show SMILES C[C@H](O)CCc1ccc(O)cc1O |r| Show InChI InChI=1S/C10H14O3/c1-7(11)2-3-8-4-5-9(12)6-10(8)13/h4-7,11-13H,2-3H2,1H3/t7-/m0/s1	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.17E+3	n/a	n/a	n/a	n/a	n/a	n/a
Tokyo University of Agriculture and Technology Curated by ChEMBL					Assay Description Inhibition of tyrosinase (unknown origin) using L-DOPA as substrate assessed as formation of dopachrome by spectrophotometric analysis				Bioorg Med Chem 23: 6650-8 (2015) Article DOI: 10.1016/j.bmc.2015.09.014 BindingDB Entry DOI: 10.7270/Q2DR2X9W
					More data for this Ligand-Target Pair
Tyrosinase (Homo sapiens (Human))	BDBM50120806 (CHEMBL3100132) Show SMILES [H][C@@]1(O[C@H](C)CCc2ccc(O)cc2O)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r| Show InChI InChI=1S/C16H24O8/c1-8(2-3-9-4-5-10(18)6-11(9)19)23-16-15(22)14(21)13(20)12(7-17)24-16/h4-6,8,12-22H,2-3,7H2,1H3/t8-,12-,13-,14+,15-,16-/m1/s1	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Tokyo University of Agriculture and Technology Curated by ChEMBL					Assay Description Inhibition of tyrosinase (unknown origin) using L-DOPA as substrate assessed as formation of dopachrome by spectrophotometric analysis				Bioorg Med Chem 23: 6650-8 (2015) Article DOI: 10.1016/j.bmc.2015.09.014 BindingDB Entry DOI: 10.7270/Q2DR2X9W
					More data for this Ligand-Target Pair
Tyrosinase (Homo sapiens (Human))	BDBM50120810 (CHEMBL3100135) Show SMILES [H][C@@]1(O[C@@H](C)CCc2ccc(O)cc2O)O[C@H](CO)[C@@H](O[C@]2([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O |r| Show InChI InChI=1S/C22H34O13/c1-9(2-3-10-4-5-11(25)6-12(10)26)32-21-19(31)17(29)20(14(8-24)34-21)35-22-18(30)16(28)15(27)13(7-23)33-22/h4-6,9,13-31H,2-3,7-8H2,1H3/t9-,13+,14+,15+,16-,17+,18+,19+,20+,21+,22-/m0/s1	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.83E+3	n/a	n/a	n/a	n/a	n/a	n/a
Tokyo University of Agriculture and Technology Curated by ChEMBL					Assay Description Inhibition of tyrosinase (unknown origin) using L-DOPA as substrate assessed as formation of dopachrome by spectrophotometric analysis				Bioorg Med Chem 23: 6650-8 (2015) Article DOI: 10.1016/j.bmc.2015.09.014 BindingDB Entry DOI: 10.7270/Q2DR2X9W
					More data for this Ligand-Target Pair
Tyrosinase (Homo sapiens (Human))	BDBM50120807 (CHEMBL3618458) Show SMILES [H][C@]1(O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H](C)CCc3ccc(O)cc3O)[C@H](O)[C@H]2O)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r| Show InChI InChI=1S/C22H34O13/c1-9(2-3-10-4-5-11(25)6-12(10)26)32-21-19(31)17(29)20(14(8-24)34-21)35-22-18(30)16(28)15(27)13(7-23)33-22/h4-6,9,13-31H,2-3,7-8H2,1H3/t9-,13+,14+,15+,16-,17+,18+,19+,20+,21+,22+/m0/s1	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.13E+3	n/a	n/a	n/a	n/a	n/a	n/a
Tokyo University of Agriculture and Technology Curated by ChEMBL					Assay Description Inhibition of tyrosinase (unknown origin) using L-DOPA as substrate assessed as formation of dopachrome by spectrophotometric analysis				Bioorg Med Chem 23: 6650-8 (2015) Article DOI: 10.1016/j.bmc.2015.09.014 BindingDB Entry DOI: 10.7270/Q2DR2X9W
					More data for this Ligand-Target Pair
Tyrosinase (Homo sapiens (Human))	BDBM50120811 (CHEMBL3100133) Show SMILES [H][C@@]1(O[C@@H](C)CCc2ccc(O)cc2O)OC[C@@H](O)[C@H](O)[C@H]1O |r| Show InChI InChI=1S/C15H22O7/c1-8(2-3-9-4-5-10(16)6-11(9)17)22-15-14(20)13(19)12(18)7-21-15/h4-6,8,12-20H,2-3,7H2,1H3/t8-,12+,13-,14+,15-/m0/s1	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.56E+3	n/a	n/a	n/a	n/a	n/a	n/a
Tokyo University of Agriculture and Technology Curated by ChEMBL					Assay Description Inhibition of tyrosinase (unknown origin) using L-DOPA as substrate assessed as formation of dopachrome by spectrophotometric analysis				Bioorg Med Chem 23: 6650-8 (2015) Article DOI: 10.1016/j.bmc.2015.09.014 BindingDB Entry DOI: 10.7270/Q2DR2X9W
					More data for this Ligand-Target Pair
Tyrosinase (Homo sapiens (Human))	BDBM50120814 (CHEMBL3100131) Show SMILES [H][C@@]1(O[C@@H](C)CCc2ccc(O)cc2O)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r| Show InChI InChI=1S/C16H24O8/c1-8(2-3-9-4-5-10(18)6-11(9)19)23-16-15(22)14(21)13(20)12(7-17)24-16/h4-6,8,12-22H,2-3,7H2,1H3/t8-,12+,13+,14-,15+,16+/m0/s1	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.72E+3	n/a	n/a	n/a	n/a	n/a	n/a
Tokyo University of Agriculture and Technology Curated by ChEMBL					Assay Description Inhibition of tyrosinase (unknown origin) using L-DOPA as substrate assessed as formation of dopachrome by spectrophotometric analysis				Bioorg Med Chem 23: 6650-8 (2015) Article DOI: 10.1016/j.bmc.2015.09.014 BindingDB Entry DOI: 10.7270/Q2DR2X9W
					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	9.15E+3	n/a	n/a	n/a	n/a	n/a	n/a
Tokyo University of Agriculture and Technology Curated by ChEMBL					Assay Description Inhibition of tyrosinase (unknown origin) using L-DOPA as substrate assessed as formation of dopachrome by spectrophotometric analysis				Bioorg Med Chem 23: 6650-8 (2015) Article DOI: 10.1016/j.bmc.2015.09.014 BindingDB Entry DOI: 10.7270/Q2DR2X9W
					More data for this Ligand-Target Pair