Compile Data Set for Download or QSAR

Found 14 hits Enz. Inhib. hit(s) with all data for entry = 50030443   

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 (Mus musculus (Mouse))	BDBM50414514 (PROTOCATECHUAMIDE) Show SMILES NC(=O)c1ccc(O)c(O)c1 Show InChI InChI=1S/C7H7NO3/c8-7(11)4-1-2-5(9)6(10)3-4/h1-3,9-10H,(H2,8,11)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	3.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Advanced Industrial Science and Technology Curated by ChEMBL					Assay Description Apparent noncompetitive inhibition of catecholase activity of tyrosinase in mouse B16 cells by Lineweaver-Burke plot analysis				Bioorg Med Chem Lett 19: 4178-82 (2009) Article DOI: 10.1016/j.bmcl.2009.05.115 BindingDB Entry DOI: 10.7270/Q2BR8S70
					More data for this Ligand-Target Pair
Tyrosinase (Mus musculus (Mouse))	BDBM50296245 (3,4-Dihydroxy-N-[2-(5-hydroxyindol-3-yl)ethyl]benz...) Show SMILES Oc1ccc2[nH]cc(CCNC(=O)c3ccc(O)c(O)c3)c2c1 Show InChI InChI=1S/C17H16N2O4/c20-12-2-3-14-13(8-12)11(9-19-14)5-6-18-17(23)10-1-4-15(21)16(22)7-10/h1-4,7-9,19-22H,5-6H2,(H,18,23)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.40E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Advanced Industrial Science and Technology Curated by ChEMBL					Assay Description Apparent noncompetitive inhibition of catecholase activity of tyrosinase in mouse B16 cells by Lineweaver-Burke plot analysis				Bioorg Med Chem Lett 19: 4178-82 (2009) Article DOI: 10.1016/j.bmcl.2009.05.115 BindingDB Entry DOI: 10.7270/Q2BR8S70
					More data for this Ligand-Target Pair
Tyrosinase (Mus musculus (Mouse))	BDBM29612 (CHEMBL33103 | CVD-0001578 | JOH-MSK-a63bdd1d-4 | N...) Show SMILES CC(=O)NCCc1c[nH]c2ccc(O)cc12 Show InChI InChI=1S/C12H14N2O2/c1-8(15)13-5-4-9-7-14-12-3-2-10(16)6-11(9)12/h2-3,6-7,14,16H,4-5H2,1H3,(H,13,15)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	2.40E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Advanced Industrial Science and Technology Curated by ChEMBL					Assay Description Apparent noncompetitive inhibition of catecholase activity of tyrosinase in mouse B16 cells by Lineweaver-Burke plot analysis				Bioorg Med Chem Lett 19: 4178-82 (2009) Article DOI: 10.1016/j.bmcl.2009.05.115 BindingDB Entry DOI: 10.7270/Q2BR8S70
					More data for this Ligand-Target Pair
Tyrosinase (Mus musculus (Mouse))	BDBM50296247 (3-(3,4-Dihydroxyphenyl)-N-[2-(5-hydroxyindol-3-yl)...) Show SMILES Oc1ccc2[nH]cc(CCNC(=O)\C=C\c3ccc(O)c(O)c3)c2c1 Show InChI InChI=1S/C19H18N2O4/c22-14-3-4-16-15(10-14)13(11-21-16)7-8-20-19(25)6-2-12-1-5-17(23)18(24)9-12/h1-6,9-11,21-24H,7-8H2,(H,20,25)/b6-2+	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Advanced Industrial Science and Technology Curated by ChEMBL					Assay Description Inhibition of catecholase activity of tyrosinase in mouse B16 cells assessed as dopachrome formation				Bioorg Med Chem Lett 19: 4178-82 (2009) Article DOI: 10.1016/j.bmcl.2009.05.115 BindingDB Entry DOI: 10.7270/Q2BR8S70
					More data for this Ligand-Target Pair
Tyrosinase (Mus musculus (Mouse))	BDBM50296244 (2,4-dihydroxy-N-(2-(5-hydroxy-1H-indol-3-yl)ethyl)...) Show SMILES Oc1ccc(C(=O)NCCc2c[nH]c3ccc(O)cc23)c(O)c1 Show InChI InChI=1S/C17H16N2O4/c20-11-2-4-15-14(7-11)10(9-19-15)5-6-18-17(23)13-3-1-12(21)8-16(13)22/h1-4,7-9,19-22H,5-6H2,(H,18,23)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Advanced Industrial Science and Technology Curated by ChEMBL					Assay Description Inhibition of catecholase activity of tyrosinase in mouse B16 cells assessed as dopachrome formation				Bioorg Med Chem Lett 19: 4178-82 (2009) Article DOI: 10.1016/j.bmcl.2009.05.115 BindingDB Entry DOI: 10.7270/Q2BR8S70
					More data for this Ligand-Target Pair
Tyrosinase (Mus musculus (Mouse))	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	6.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Advanced Industrial Science and Technology Curated by ChEMBL					Assay Description Inhibition of catecholase activity of tyrosinase in mouse B16 cells assessed as dopachrome formation				Bioorg Med Chem Lett 19: 4178-82 (2009) Article DOI: 10.1016/j.bmcl.2009.05.115 BindingDB Entry DOI: 10.7270/Q2BR8S70
					More data for this Ligand-Target Pair
Tyrosinase (Mus musculus (Mouse))	BDBM32212 (1H-indol-5-ol | cid_16054) Show SMILES Oc1ccc2[nH]ccc2c1 Show InChI InChI=1S/C8H7NO/c10-7-1-2-8-6(5-7)3-4-9-8/h1-5,9-10H	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	6.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Advanced Industrial Science and Technology Curated by ChEMBL					Assay Description Inhibition of catecholase activity of tyrosinase in mouse B16 cells assessed as dopachrome formation				Bioorg Med Chem Lett 19: 4178-82 (2009) Article DOI: 10.1016/j.bmcl.2009.05.115 BindingDB Entry DOI: 10.7270/Q2BR8S70
					More data for this Ligand-Target Pair
Tyrosinase (Mus musculus (Mouse))	BDBM50296245 (3,4-Dihydroxy-N-[2-(5-hydroxyindol-3-yl)ethyl]benz...) Show SMILES Oc1ccc2[nH]cc(CCNC(=O)c3ccc(O)c(O)c3)c2c1 Show InChI InChI=1S/C17H16N2O4/c20-12-2-3-14-13(8-12)11(9-19-14)5-6-18-17(23)10-1-4-15(21)16(22)7-10/h1-4,7-9,19-22H,5-6H2,(H,18,23)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Advanced Industrial Science and Technology Curated by ChEMBL					Assay Description Inhibition of catecholase activity of tyrosinase in mouse B16 cells assessed as dopachrome formation				Bioorg Med Chem Lett 19: 4178-82 (2009) Article DOI: 10.1016/j.bmcl.2009.05.115 BindingDB Entry DOI: 10.7270/Q2BR8S70
					More data for this Ligand-Target Pair
Tyrosinase (Mus musculus (Mouse))	BDBM50296243 (4-hydroxy-N-(2-(5-hydroxy-1H-indol-3-yl)ethyl)-3-m...) Show SMILES COc1cc(ccc1O)C(=O)NCCc1c[nH]c2ccc(O)cc12 Show InChI InChI=1S/C18H18N2O4/c1-24-17-8-11(2-5-16(17)22)18(23)19-7-6-12-10-20-15-4-3-13(21)9-14(12)15/h2-5,8-10,20-22H,6-7H2,1H3,(H,19,23)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.11E+5	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Advanced Industrial Science and Technology Curated by ChEMBL					Assay Description Inhibition of catecholase activity of tyrosinase in mouse B16 cells assessed as dopachrome formation				Bioorg Med Chem Lett 19: 4178-82 (2009) Article DOI: 10.1016/j.bmcl.2009.05.115 BindingDB Entry DOI: 10.7270/Q2BR8S70
					More data for this Ligand-Target Pair
Tyrosinase (Mus musculus (Mouse))	BDBM50296246 (CHEMBL564482 | N-Feruloylserotonin) Show SMILES COc1cc(\C=C\C(=O)NCCc2c[nH]c3ccc(O)cc23)ccc1O Show InChI InChI=1S/C20H20N2O4/c1-26-19-10-13(2-6-18(19)24)3-7-20(25)21-9-8-14-12-22-17-5-4-15(23)11-16(14)17/h2-7,10-12,22-24H,8-9H2,1H3,(H,21,25)/b7-3+	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.16E+5	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Advanced Industrial Science and Technology Curated by ChEMBL					Assay Description Inhibition of catecholase activity of tyrosinase in mouse B16 cells assessed as dopachrome formation				Bioorg Med Chem Lett 19: 4178-82 (2009) Article DOI: 10.1016/j.bmcl.2009.05.115 BindingDB Entry DOI: 10.7270/Q2BR8S70
					More data for this Ligand-Target Pair
Tyrosinase (Mus musculus (Mouse))	BDBM50296242 (4-hydroxy-N-(2-(5-hydroxy-1H-indol-3-yl)ethyl)benz...) Show SMILES Oc1ccc(cc1)C(=O)NCCc1c[nH]c2ccc(O)cc12 Show InChI InChI=1S/C17H16N2O3/c20-13-3-1-11(2-4-13)17(22)18-8-7-12-10-19-16-6-5-14(21)9-15(12)16/h1-6,9-10,19-21H,7-8H2,(H,18,22)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.33E+5	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Advanced Industrial Science and Technology Curated by ChEMBL					Assay Description Inhibition of catecholase activity of tyrosinase in mouse B16 cells assessed as dopachrome formation				Bioorg Med Chem Lett 19: 4178-82 (2009) Article DOI: 10.1016/j.bmcl.2009.05.115 BindingDB Entry DOI: 10.7270/Q2BR8S70
					More data for this Ligand-Target Pair
Tyrosinase (Mus musculus (Mouse))	BDBM29612 (CHEMBL33103 | CVD-0001578 | JOH-MSK-a63bdd1d-4 | N...) Show SMILES CC(=O)NCCc1c[nH]c2ccc(O)cc12 Show InChI InChI=1S/C12H14N2O2/c1-8(15)13-5-4-9-7-14-12-3-2-10(16)6-11(9)12/h2-3,6-7,14,16H,4-5H2,1H3,(H,13,15)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	3.11E+5	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Advanced Industrial Science and Technology Curated by ChEMBL					Assay Description Inhibition of catecholase activity of tyrosinase in mouse B16 cells assessed as dopachrome formation				Bioorg Med Chem Lett 19: 4178-82 (2009) Article DOI: 10.1016/j.bmcl.2009.05.115 BindingDB Entry DOI: 10.7270/Q2BR8S70
					More data for this Ligand-Target Pair
Tyrosinase (Mus musculus (Mouse))	BDBM50296248 (CHEMBL564775 | N-(2-(5-hydroxy-1H-indol-3-yl)ethyl...) Show SMILES Oc1ccc2[nH]cc(CCNC(=O)c3ccccc3)c2c1 Show InChI InChI=1S/C17H16N2O2/c20-14-6-7-16-15(10-14)13(11-19-16)8-9-18-17(21)12-4-2-1-3-5-12/h1-7,10-11,19-20H,8-9H2,(H,18,21)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.33E+5	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Advanced Industrial Science and Technology Curated by ChEMBL					Assay Description Inhibition of catecholase activity of tyrosinase in mouse B16 cells assessed as dopachrome formation				Bioorg Med Chem Lett 19: 4178-82 (2009) Article DOI: 10.1016/j.bmcl.2009.05.115 BindingDB Entry DOI: 10.7270/Q2BR8S70
					More data for this Ligand-Target Pair
Tyrosinase (Mus musculus (Mouse))	BDBM10755 (14C-5-hydroxy tryptamine creatinine disulfate | 2-...) Show SMILES NCCc1c[nH]c2ccc(O)cc12 Show InChI InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	5.50E+5	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Advanced Industrial Science and Technology Curated by ChEMBL					Assay Description Inhibition of catecholase activity of tyrosinase in mouse B16 cells assessed as dopachrome formation				Bioorg Med Chem Lett 19: 4178-82 (2009) Article DOI: 10.1016/j.bmcl.2009.05.115 BindingDB Entry DOI: 10.7270/Q2BR8S70
					More data for this Ligand-Target Pair