Compile Data Set for Download or QSAR

Found 403 hits with Last Name = 'lee' and Initial = 'kw'   

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))	BDBM50134709 (CHEMBL3747057) Show SMILES COc1c2C[C@@H](COc2cc2OC(C)(C)C=Cc12)c1ccc(O)cc1O |r,c:16| Show InChI InChI=1S/C21H22O5/c1-21(2)7-6-15-19(26-21)10-18-16(20(15)24-3)8-12(11-25-18)14-5-4-13(22)9-17(14)23/h4-7,9-10,12,22-23H,8,11H2,1-3H3/t12-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Gyeongsang National University Curated by ChEMBL					Assay Description Time dependent inhibition of monophenolase activity of mushroom tyrosinase using L-tyrosine as substrate measured every 30 secs by Morrison and Walsh...				Bioorg Med Chem 24: 153-9 (2016) Article DOI: 10.1016/j.bmc.2015.11.040 BindingDB Entry DOI: 10.7270/Q2RN39PT
					More data for this Ligand-Target Pair
Polyphenol oxidase 2 (Agaricus bisporus (Common mushroom))	BDBM50134709 (CHEMBL3747057) Show SMILES COc1c2C[C@@H](COc2cc2OC(C)(C)C=Cc12)c1ccc(O)cc1O |r,c:16| Show InChI InChI=1S/C21H22O5/c1-21(2)7-6-15-19(26-21)10-18-16(20(15)24-3)8-12(11-25-18)14-5-4-13(22)9-17(14)23/h4-7,9-10,12,22-23H,8,11H2,1-3H3/t12-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Gyeongsang National University Curated by ChEMBL					Assay Description Time dependent inhibition of monophenolase activity of mushroom tyrosinase using L-tyrosine as substrate measured every 30 secs by Morrison and Walsh...				Bioorg Med Chem 24: 153-9 (2016) Article DOI: 10.1016/j.bmc.2015.11.040 BindingDB Entry DOI: 10.7270/Q2RN39PT
					More data for this Ligand-Target Pair
Polyphenol oxidase 2 (Agaricus bisporus (Common mushroom))	BDBM50134709 (CHEMBL3747057) Show SMILES COc1c2C[C@@H](COc2cc2OC(C)(C)C=Cc12)c1ccc(O)cc1O |r,c:16| Show InChI InChI=1S/C21H22O5/c1-21(2)7-6-15-19(26-21)10-18-16(20(15)24-3)8-12(11-25-18)14-5-4-13(22)9-17(14)23/h4-7,9-10,12,22-23H,8,11H2,1-3H3/t12-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Gyeongsang National University Curated by ChEMBL					Assay Description Competitive inhibition of monophenolase activity of mushroom tyrosinase using L-tyrosine as substrate preincubated for 5 to 60 mins by Lineweaver-Bur...				Bioorg Med Chem 24: 153-9 (2016) Article DOI: 10.1016/j.bmc.2015.11.040 BindingDB Entry DOI: 10.7270/Q2RN39PT
					More data for this Ligand-Target Pair
Polyphenol oxidase 2 (Agaricus bisporus (Common mushroom))	BDBM50134709 (CHEMBL3747057) Show SMILES COc1c2C[C@@H](COc2cc2OC(C)(C)C=Cc12)c1ccc(O)cc1O |r,c:16| Show InChI InChI=1S/C21H22O5/c1-21(2)7-6-15-19(26-21)10-18-16(20(15)24-3)8-12(11-25-18)14-5-4-13(22)9-17(14)23/h4-7,9-10,12,22-23H,8,11H2,1-3H3/t12-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Gyeongsang National University Curated by ChEMBL					Assay Description Competitive inhibition of monophenolase activity of mushroom tyrosinase using L-tyrosine as substrate preincubated for 5 to 60 mins by Lineweaver-Bur...				Bioorg Med Chem 24: 153-9 (2016) Article DOI: 10.1016/j.bmc.2015.11.040 BindingDB Entry DOI: 10.7270/Q2RN39PT
					More data for this Ligand-Target Pair
Polyphenol oxidase 2 (Agaricus bisporus (Common mushroom))	BDBM50134709 (CHEMBL3747057) Show SMILES COc1c2C[C@@H](COc2cc2OC(C)(C)C=Cc12)c1ccc(O)cc1O |r,c:16| Show InChI InChI=1S/C21H22O5/c1-21(2)7-6-15-19(26-21)10-18-16(20(15)24-3)8-12(11-25-18)14-5-4-13(22)9-17(14)23/h4-7,9-10,12,22-23H,8,11H2,1-3H3/t12-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Gyeongsang National University Curated by ChEMBL					Assay Description Competitive inhibition of diphenolase activity of mushroom tyrosinase using L-DOPA as substrate preincubated for 5 to 60 mins by Lineweaver-Burk and ...				Bioorg Med Chem 24: 153-9 (2016) Article DOI: 10.1016/j.bmc.2015.11.040 BindingDB Entry DOI: 10.7270/Q2RN39PT
					More data for this Ligand-Target Pair
Polyphenol oxidase 2 (Agaricus bisporus (Common mushroom))	BDBM50134709 (CHEMBL3747057) Show SMILES COc1c2C[C@@H](COc2cc2OC(C)(C)C=Cc12)c1ccc(O)cc1O |r,c:16| Show InChI InChI=1S/C21H22O5/c1-21(2)7-6-15-19(26-21)10-18-16(20(15)24-3)8-12(11-25-18)14-5-4-13(22)9-17(14)23/h4-7,9-10,12,22-23H,8,11H2,1-3H3/t12-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Gyeongsang National University Curated by ChEMBL					Assay Description Competitive inhibition of diphenolase activity of mushroom tyrosinase using L-DOPA as substrate preincubated for 5 to 60 mins by Lineweaver-Burk and ...				Bioorg Med Chem 24: 153-9 (2016) Article DOI: 10.1016/j.bmc.2015.11.040 BindingDB Entry DOI: 10.7270/Q2RN39PT
					More data for this Ligand-Target Pair
Polyphenol oxidase 2 (Agaricus bisporus (Common mushroom))	BDBM50134710 (CHEMBL3745886) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])ccc(-[#6]-2-[#6]-[#8]-c3cc(-[#8])cc(-[#8])c3-[#6]-2=O)c1-[#8] Show InChI InChI=1S/C25H28O6/c1-14(2)5-4-6-15(3)7-8-18-20(27)10-9-17(24(18)29)19-13-31-22-12-16(26)11-21(28)23(22)25(19)30/h5,7,9-12,19,26-29H,4,6,8,13H2,1-3H3/b15-7+	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	151	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Gyeongsang National University Curated by ChEMBL					Assay Description Time dependent inhibition of monophenolase activity of mushroom tyrosinase using L-tyrosine as substrate measured every 30 secs by Morrison and Walsh...				Bioorg Med Chem 24: 153-9 (2016) Article DOI: 10.1016/j.bmc.2015.11.040 BindingDB Entry DOI: 10.7270/Q2RN39PT
					More data for this Ligand-Target Pair
Polyphenol oxidase 2 (Agaricus bisporus (Common mushroom))	BDBM50134710 (CHEMBL3745886) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])ccc(-[#6]-2-[#6]-[#8]-c3cc(-[#8])cc(-[#8])c3-[#6]-2=O)c1-[#8] Show InChI InChI=1S/C25H28O6/c1-14(2)5-4-6-15(3)7-8-18-20(27)10-9-17(24(18)29)19-13-31-22-12-16(26)11-21(28)23(22)25(19)30/h5,7,9-12,19,26-29H,4,6,8,13H2,1-3H3/b15-7+	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	151	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Gyeongsang National University Curated by ChEMBL					Assay Description Time dependent inhibition of monophenolase activity of mushroom tyrosinase using L-tyrosine as substrate measured every 30 secs by Morrison and Walsh...				Bioorg Med Chem 24: 153-9 (2016) Article DOI: 10.1016/j.bmc.2015.11.040 BindingDB Entry DOI: 10.7270/Q2RN39PT
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50366237 (GAMBOGIC ACID) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6][C@@]1([#6])[#8]-c2c(-[#6]\[#6]=[#6](\[#6])-[#6])c3-[#8][C@@]45[#6@H]6-[#6]-[#6@@H](-[#6]=[#6]4-[#6](=O)-c3c(-[#8])c2-[#6]=[#6]1)-[#6](=O)[C@]5([#6]\[#6]=[#6](\[#6])-[#6](-[#8])=O)[#8]C6([#6])[#6] |r,c:22,33,TLB:22:21:18:42.43,THB:33:32:18:42.43,43:19:23.22:34.32| Show InChI InChI=1S/C38H44O8/c1-20(2)10-9-15-36(8)16-14-24-29(39)28-30(40)26-18-23-19-27-35(6,7)46-37(33(23)41,17-13-22(5)34(42)43)38(26,27)45-32(28)25(31(24)44-36)12-11-21(3)4/h10-11,13-14,16,18,23,27,39H,9,12,15,17,19H2,1-8H3,(H,42,43)/b22-13-/t23-,27+,36-,37+,38-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	190	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Division of Applied Life Science (BK21 Plus), IALS, Gyeongsang National University, Jinju 52828, Republic of Korea. Curated by ChEMBL					Assay Description Inhibition of recombinant human PTP1B (1 to 322 residues) expressed in Escherichia coli using pNPP as substrate by Dixon plot analysis				Bioorg Med Chem 25: 2498-2506 (2017) Article DOI: 10.1016/j.bmc.2017.03.010 BindingDB Entry DOI: 10.7270/Q2Q81GHS
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50256793 (CHEMBL4095800) Show SMILES [H][C@@]12[#6][C@@]3([H])[#6@H](-[#8]-[#6])-[#6]4-[#6](=O)-c5c(-[#8])c6-[#6]=[#6][C@@]([#6])([#6]-[#6]\[#6]=[#6](\[#6])-[#6])[#8]-c6c(-[#6]\[#6]=[#6](\[#6])-[#6])c5-[#8][C@@]14[C@@]([#6]\[#6]=[#6](\[#6])-[#6](-[#8])=O)([#8]C2([#6])[#6])[#6]3=O |r,c:15,TLB:5:3:45.44:35,34:35:2.3.48:45.44,37:36:1.2:8.5,9:8:1.2:48.36,THB:6:5:1.2:48.36,8:35:2.3.48:45.44,49:48:45.44:35,49:48:1.2:8.5,45:1:48.36:8.5| Show InChI InChI=1S/C39H48O9/c1-20(2)11-10-16-37(8)17-15-23-29(40)27-30(41)28-33(45-9)25-19-26-36(6,7)48-38(34(25)42,18-14-22(5)35(43)44)39(26,28)47-32(27)24(31(23)46-37)13-12-21(3)4/h11-12,14-15,17,25-26,28,33,40H,10,13,16,18-19H2,1-9H3,(H,43,44)/b22-14-/t25-,26-,28?,33-,37+,38-,39-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Division of Applied Life Science (BK21 Plus), IALS, Gyeongsang National University, Jinju 52828, Republic of Korea. Curated by ChEMBL					Assay Description Inhibition of recombinant human PTP1B (1 to 322 residues) expressed in Escherichia coli using pNPP as substrate by Dixon plot analysis				Bioorg Med Chem 25: 2498-2506 (2017) Article DOI: 10.1016/j.bmc.2017.03.010 BindingDB Entry DOI: 10.7270/Q2Q81GHS
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50256807 (CHEMBL4069859) Show SMILES [H][C@@]12[#6][C@@]3([H])[#6@H](-[#8]-[#6])-[#6]4-[#6](=O)-c5c(-[#8])c(-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c5-[#8][C@@]14[C@@]([#6]\[#6]=[#6](\[#6])-[#6](-[#8])=O)([#8]C2([#6])[#6])[#6]3=O |r,TLB:34:35:2.3.48:45.44,9:8:1.2:48.36,5:3:45.44:35,37:36:1.2:8.5,THB:6:5:1.2:48.36,45:1:48.36:8.5,8:35:2.3.48:45.44,49:48:45.44:35,49:48:1.2:8.5| Show InChI InChI=1S/C39H50O9/c1-20(2)11-10-12-22(5)14-16-24-30(40)25(15-13-21(3)4)33-28(31(24)41)32(42)29-34(46-9)26-19-27-37(7,8)48-38(35(26)43,39(27,29)47-33)18-17-23(6)36(44)45/h11,13-14,17,26-27,29,34,40-41H,10,12,15-16,18-19H2,1-9H3,(H,44,45)/b22-14+,23-17-/t26-,27-,29?,34-,38-,39-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	390	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Division of Applied Life Science (BK21 Plus), IALS, Gyeongsang National University, Jinju 52828, Republic of Korea. Curated by ChEMBL					Assay Description Inhibition of recombinant human PTP1B (1 to 322 residues) expressed in Escherichia coli using pNPP as substrate preincubated for 60 mins followed by ...				Bioorg Med Chem 25: 2498-2506 (2017) Article DOI: 10.1016/j.bmc.2017.03.010 BindingDB Entry DOI: 10.7270/Q2Q81GHS
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50366237 (GAMBOGIC ACID) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6][C@@]1([#6])[#8]-c2c(-[#6]\[#6]=[#6](\[#6])-[#6])c3-[#8][C@@]45[#6@H]6-[#6]-[#6@@H](-[#6]=[#6]4-[#6](=O)-c3c(-[#8])c2-[#6]=[#6]1)-[#6](=O)[C@]5([#6]\[#6]=[#6](\[#6])-[#6](-[#8])=O)[#8]C6([#6])[#6] |r,c:22,33,TLB:22:21:18:42.43,THB:33:32:18:42.43,43:19:23.22:34.32| Show InChI InChI=1S/C38H44O8/c1-20(2)10-9-15-36(8)16-14-24-29(39)28-30(40)26-18-23-19-27-35(6,7)46-37(33(23)41,17-13-22(5)34(42)43)38(26,27)45-32(28)25(31(24)44-36)12-11-21(3)4/h10-11,13-14,16,18,23,27,39H,9,12,15,17,19H2,1-8H3,(H,42,43)/b22-13-/t23-,27+,36-,37+,38-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	499	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Division of Applied Life Science (BK21 Plus), IALS, Gyeongsang National University, Jinju 52828, Republic of Korea. Curated by ChEMBL					Assay Description Inhibition of recombinant human PTP1B (1 to 322 residues) expressed in Escherichia coli using pNPP as substrate preincubated for 60 mins followed by ...				Bioorg Med Chem 25: 2498-2506 (2017) Article DOI: 10.1016/j.bmc.2017.03.010 BindingDB Entry DOI: 10.7270/Q2Q81GHS
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50256792 (Gambogenic Acid) Show SMILES [H][C@@]12[#6][C@@]3([H])[#6]=[#6]4-[#6](=O)-c5c(-[#8])c(-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c5-[#8][C@@]14[C@@]([#6]\[#6]=[#6](\[#6])-[#6](-[#8])=O)([#8]C2([#6])[#6])[#6]3=O |r,t:5,TLB:47:46:6.5:1.2,32:33:42.43:46.3.2,42:34:6.5:1.2,5:3:33:42.43,THB:47:46:33:42.43,7:6:34.46:1.2,43:1:6.5:34.46| Show InChI InChI=1S/C38H46O8/c1-20(2)10-9-11-22(5)13-15-25-30(39)26(14-12-21(3)4)33-29(31(25)40)32(41)27-18-24-19-28-36(7,8)46-37(34(24)42,38(27,28)45-33)17-16-23(6)35(43)44/h10,12-13,16,18,24,28,39-40H,9,11,14-15,17,19H2,1-8H3,(H,43,44)/b22-13+,23-16-/t24-,28+,37+,38-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	1.21E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Division of Applied Life Science (BK21 Plus), IALS, Gyeongsang National University, Jinju 52828, Republic of Korea. Curated by ChEMBL					Assay Description Inhibition of recombinant human PTP1B (1 to 322 residues) expressed in Escherichia coli using pNPP as substrate preincubated for 60 mins followed by ...				Bioorg Med Chem 25: 2498-2506 (2017) Article DOI: 10.1016/j.bmc.2017.03.010 BindingDB Entry DOI: 10.7270/Q2Q81GHS
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50256790 (CHEMBL4068566) Show SMILES [H][C@@]12[#6][C@@]3([H])[#6]=[#6]4-[#6](=O)-c5c(-[#8])c6-[#6]=[#6]C([#6])([#6])[#8]-c6c(-[#6]\[#6]=[#6](/[#6])-[#6])c5-[#8][C@@]14[C@]([#8]C2([#6])[#6])(\[#6]=[#6](\[#6])-[#6](-[#8])=O)[#6]3=O |r,c:13,t:5,TLB:27:28:30.31:40.3.2,30:29:6.5:1.2,41:40:6.5:1.2,5:3:28:30.31,THB:31:1:6.5:29.40,7:6:29.40:1.2,41:40:28:30.31,34:29:6.5:1.2| Show InChI InChI=1S/C32H34O8/c1-15(2)8-9-19-25-18(10-11-29(4,5)38-25)23(33)22-24(34)20-12-17-13-21-30(6,7)40-31(27(17)35,14-16(3)28(36)37)32(20,21)39-26(19)22/h8,10-12,14,17,21,33H,9,13H2,1-7H3,(H,36,37)/b16-14-/t17-,21+,31+,32-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	1.49E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Division of Applied Life Science (BK21 Plus), IALS, Gyeongsang National University, Jinju 52828, Republic of Korea. Curated by ChEMBL					Assay Description Inhibition of recombinant human PTP1B (1 to 322 residues) expressed in Escherichia coli using pNPP as substrate preincubated for 60 mins followed by ...				Bioorg Med Chem 25: 2498-2506 (2017) Article DOI: 10.1016/j.bmc.2017.03.010 BindingDB Entry DOI: 10.7270/Q2Q81GHS
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50256791 (CHEMBL4090412) Show SMILES [H][C@@]12[#6][C@@]3([H])[#6@H](-[#8]-[#6])-[#6]4-[#6](=O)-c5c(-[#8])c6-[#6]=[#6]C([#6])([#6])[#8]-c6c(-[#6]\[#6]=[#6](\[#6])-[#6])c5-[#8][C@@]14[C@@]([#6]\[#6]=[#6](\[#6])-[#6](-[#8])=O)([#8]C2([#6])[#6])[#6]3=O |r,c:15,TLB:6:5:31.43:2.1,44:43:8.5:2.1,THB:40:1:31.43:8.5,9:8:31.43:2.1,32:31:8.5:2.1| Show InChI InChI=1S/C34H40O9/c1-16(2)9-10-19-26-18(12-13-31(4,5)41-26)24(35)22-25(36)23-28(40-8)20-15-21-32(6,7)43-33(29(20)37,14-11-17(3)30(38)39)34(21,23)42-27(19)22/h9,11-13,20-21,23,28,35H,10,14-15H2,1-8H3,(H,38,39)/b17-11-/t20-,21-,23?,28-,33-,34-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	1.75E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Division of Applied Life Science (BK21 Plus), IALS, Gyeongsang National University, Jinju 52828, Republic of Korea. Curated by ChEMBL					Assay Description Inhibition of recombinant human PTP1B (1 to 322 residues) expressed in Escherichia coli using pNPP as substrate by Dixon plot analysis				Bioorg Med Chem 25: 2498-2506 (2017) Article DOI: 10.1016/j.bmc.2017.03.010 BindingDB Entry DOI: 10.7270/Q2Q81GHS
					More data for this Ligand-Target Pair
Polyphenol oxidase 2 (Agaricus bisporus (Common mushroom))	BDBM50134710 (CHEMBL3745886) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])ccc(-[#6]-2-[#6]-[#8]-c3cc(-[#8])cc(-[#8])c3-[#6]-2=O)c1-[#8] Show InChI InChI=1S/C25H28O6/c1-14(2)5-4-6-15(3)7-8-18-20(27)10-9-17(24(18)29)19-13-31-22-12-16(26)11-21(28)23(22)25(19)30/h5,7,9-12,19,26-29H,4,6,8,13H2,1-3H3/b15-7+	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Gyeongsang National University Curated by ChEMBL					Assay Description Competitive inhibition of monophenolase activity of mushroom tyrosinase using L-tyrosine as substrate preincubated for 5 to 60 mins by Lineweaver-Bur...				Bioorg Med Chem 24: 153-9 (2016) Article DOI: 10.1016/j.bmc.2015.11.040 BindingDB Entry DOI: 10.7270/Q2RN39PT
					More data for this Ligand-Target Pair
Polyphenol oxidase 2 (Agaricus bisporus (Common mushroom))	BDBM50134710 (CHEMBL3745886) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])ccc(-[#6]-2-[#6]-[#8]-c3cc(-[#8])cc(-[#8])c3-[#6]-2=O)c1-[#8] Show InChI InChI=1S/C25H28O6/c1-14(2)5-4-6-15(3)7-8-18-20(27)10-9-17(24(18)29)19-13-31-22-12-16(26)11-21(28)23(22)25(19)30/h5,7,9-12,19,26-29H,4,6,8,13H2,1-3H3/b15-7+	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Gyeongsang National University Curated by ChEMBL					Assay Description Competitive inhibition of monophenolase activity of mushroom tyrosinase using L-tyrosine as substrate preincubated for 5 to 60 mins by Lineweaver-Bur...				Bioorg Med Chem 24: 153-9 (2016) Article DOI: 10.1016/j.bmc.2015.11.040 BindingDB Entry DOI: 10.7270/Q2RN39PT
					More data for this Ligand-Target Pair
Alpha-glucosidase MAL12 (Saccharomyces cerevisiae)	BDBM84968 (Urea derivative, 12) Show SMILES Oc1ccc(\C=C\c2ccc(NC(=O)Nc3ccc(F)cc3F)cc2)cc1O Show InChI InChI=1S/C21H16F2N2O3/c22-15-6-9-18(17(23)12-15)25-21(28)24-16-7-3-13(4-8-16)1-2-14-5-10-19(26)20(27)11-14/h1-12,26-27H,(H2,24,25,28)/b2-1+	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.20E+3	n/a	8.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Gyeongsang National University					Assay Description All enzymatic activities were determined by using the appropriate substrate (p-nitrophenyl-alpha-D-glucopyranoside, p-nitrophenyl-beta-D-gulcopyranos...				Chembiochem 11: 2125-31 (2010) Article DOI: 10.1002/cbic.201000376 BindingDB Entry DOI: 10.7270/Q2542M33
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50256794 (CHEMBL4059800) Show SMILES [H][C@@]12[#6][C@@]3([H])[#6](-[#8]-[#6])=[#6]4-[#6](=O)-c5c(-[#8])c6-[#6]=[#6][C@@]([#6])([#6]-[#6]\[#6]=[#6](\[#6])-[#6])[#8]-c6c(-[#6]\[#6]=[#6](\[#6])-[#6])c5-[#8][C@@]14[C@@]([#6]\[#6]=[#6](/[#6])-[#6])([#8]C2([#6])[#6])[#6]3=O |r,c:15,t:7,TLB:5:3:43.42:35,34:35:2.3.46:43.42,37:36:1.2:8.5,9:8:1.2:46.36,THB:47:46:43.42:35,47:46:1.2:8.5,43:1:46.36:8.5,6:5:1.2:46.36,8:35:2.3.46:43.42| Show InChI InChI=1S/C39H48O7/c1-21(2)12-11-17-37(9)18-16-24-30(40)28-31(41)29-34(43-10)26-20-27-36(7,8)46-38(35(26)42,19-15-23(5)6)39(27,29)45-33(28)25(32(24)44-37)14-13-22(3)4/h12-13,15-16,18,26-27,40H,11,14,17,19-20H2,1-10H3/t26-,27-,37+,38-,39-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	4.38E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Division of Applied Life Science (BK21 Plus), IALS, Gyeongsang National University, Jinju 52828, Republic of Korea. Curated by ChEMBL					Assay Description Inhibition of recombinant human PTP1B (1 to 322 residues) expressed in Escherichia coli using pNPP as substrate by Dixon plot analysis				Bioorg Med Chem 25: 2498-2506 (2017) Article DOI: 10.1016/j.bmc.2017.03.010 BindingDB Entry DOI: 10.7270/Q2Q81GHS
					More data for this Ligand-Target Pair
Alpha-glucosidase MAL12 (Saccharomyces cerevisiae)	BDBM84969 (Urea derivative, 13) Show SMILES Oc1ccc(\C=C\c2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2)cc1O Show InChI InChI=1S/C21H17ClN2O3/c22-16-6-10-18(11-7-16)24-21(27)23-17-8-3-14(4-9-17)1-2-15-5-12-19(25)20(26)13-15/h1-13,25-26H,(H2,23,24,27)/b2-1+	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	4.60E+3	n/a	1.43E+4	n/a	n/a	n/a	n/a	n/a	n/a
Gyeongsang National University					Assay Description All enzymatic activities were determined by using the appropriate substrate (p-nitrophenyl-alpha-D-glucopyranoside, p-nitrophenyl-beta-D-gulcopyranos...				Chembiochem 11: 2125-31 (2010) Article DOI: 10.1002/cbic.201000376 BindingDB Entry DOI: 10.7270/Q2542M33
					More data for this Ligand-Target Pair
Alpha-glucosidase MAL12 (Saccharomyces cerevisiae)	BDBM84967 (Urea derivative, 11) Show SMILES Oc1ccc(\C=C\c2ccc(NC(=O)Nc3ccc(F)cc3)cc2)cc1O Show InChI InChI=1S/C21H17FN2O3/c22-16-6-10-18(11-7-16)24-21(27)23-17-8-3-14(4-9-17)1-2-15-5-12-19(25)20(26)13-15/h1-13,25-26H,(H2,23,24,27)/b2-1+	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	7.20E+3	n/a	1.98E+4	n/a	n/a	n/a	n/a	n/a	n/a
Gyeongsang National University					Assay Description All enzymatic activities were determined by using the appropriate substrate (p-nitrophenyl-alpha-D-glucopyranoside, p-nitrophenyl-beta-D-gulcopyranos...				Chembiochem 11: 2125-31 (2010) Article DOI: 10.1002/cbic.201000376 BindingDB Entry DOI: 10.7270/Q2542M33
					More data for this Ligand-Target Pair
Polyphenol oxidase 2 (Agaricus bisporus (Common mushroom))	BDBM50134712 (CHEMBL3746218) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])ccc(c1-[#8])C1([#8])[#6]-[#8]-c2cc(-[#8])cc(-[#8])c2-[#6]1=O Show InChI InChI=1S/C25H28O7/c1-14(2)5-4-6-15(3)7-8-17-19(27)10-9-18(23(17)29)25(31)13-32-21-12-16(26)11-20(28)22(21)24(25)30/h5,7,9-12,26-29,31H,4,6,8,13H2,1-3H3/b15-7+	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Gyeongsang National University Curated by ChEMBL					Assay Description Competitive inhibition of monophenolase activity of mushroom tyrosinase using L-tyrosine as substrate preincubated for 5 to 60 mins by Lineweaver-Bur...				Bioorg Med Chem 24: 153-9 (2016) Article DOI: 10.1016/j.bmc.2015.11.040 BindingDB Entry DOI: 10.7270/Q2RN39PT
					More data for this Ligand-Target Pair
Polyphenol oxidase 2 (Agaricus bisporus (Common mushroom))	BDBM50134712 (CHEMBL3746218) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])ccc(c1-[#8])C1([#8])[#6]-[#8]-c2cc(-[#8])cc(-[#8])c2-[#6]1=O Show InChI InChI=1S/C25H28O7/c1-14(2)5-4-6-15(3)7-8-17-19(27)10-9-18(23(17)29)25(31)13-32-21-12-16(26)11-20(28)22(21)24(25)30/h5,7,9-12,26-29,31H,4,6,8,13H2,1-3H3/b15-7+	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Gyeongsang National University Curated by ChEMBL					Assay Description Competitive inhibition of monophenolase activity of mushroom tyrosinase using L-tyrosine as substrate preincubated for 5 to 60 mins by Lineweaver-Bur...				Bioorg Med Chem 24: 153-9 (2016) Article DOI: 10.1016/j.bmc.2015.11.040 BindingDB Entry DOI: 10.7270/Q2RN39PT
					More data for this Ligand-Target Pair
Alpha-glucosidase MAL12 (Saccharomyces cerevisiae)	BDBM84972 (Urea derivative, 16) Show SMILES Oc1ccc(\C=C\c2ccc(NC(=O)Nc3ccc(F)cc3F)cc2)cc1 Show InChI InChI=1S/C21H16F2N2O2/c22-16-7-12-20(19(23)13-16)25-21(27)24-17-8-3-14(4-9-17)1-2-15-5-10-18(26)11-6-15/h1-13,26H,(H2,24,25,27)/b2-1+	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	9.40E+3	n/a	1.85E+4	n/a	n/a	n/a	n/a	n/a	n/a
Gyeongsang National University					Assay Description All enzymatic activities were determined by using the appropriate substrate (p-nitrophenyl-alpha-D-glucopyranoside, p-nitrophenyl-beta-D-gulcopyranos...				Chembiochem 11: 2125-31 (2010) Article DOI: 10.1002/cbic.201000376 BindingDB Entry DOI: 10.7270/Q2542M33
					More data for this Ligand-Target Pair
Alpha-glucosidase MAL12 (Saccharomyces cerevisiae)	BDBM84963 (Urea derivative, 7) Show SMILES COc1ccc(NC(=O)Nc2ccc(\C=C\c3ccc(O)c(O)c3)cc2)cc1 Show InChI InChI=1S/C22H20N2O4/c1-28-19-11-9-18(10-12-19)24-22(27)23-17-7-4-15(5-8-17)2-3-16-6-13-20(25)21(26)14-16/h2-14,25-26H,1H3,(H2,23,24,27)/b3-2+	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.05E+4	n/a	1.95E+4	n/a	n/a	n/a	n/a	n/a	n/a
Gyeongsang National University					Assay Description All enzymatic activities were determined by using the appropriate substrate (p-nitrophenyl-alpha-D-glucopyranoside, p-nitrophenyl-beta-D-gulcopyranos...				Chembiochem 11: 2125-31 (2010) Article DOI: 10.1002/cbic.201000376 BindingDB Entry DOI: 10.7270/Q2542M33
					More data for this Ligand-Target Pair
Alpha-glucosidase MAL12 (Saccharomyces cerevisiae)	BDBM84962 (Urea derivative, 6) Show SMILES Oc1ccc(\C=C\c2ccc(NC(=O)Nc3ccccc3)cc2)cc1O Show InChI InChI=1S/C21H18N2O3/c24-19-13-10-16(14-20(19)25)7-6-15-8-11-18(12-9-15)23-21(26)22-17-4-2-1-3-5-17/h1-14,24-25H,(H2,22,23,26)/b7-6+	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.06E+4	n/a	4.21E+4	n/a	n/a	n/a	n/a	n/a	n/a
Gyeongsang National University					Assay Description All enzymatic activities were determined by using the appropriate substrate (p-nitrophenyl-alpha-D-glucopyranoside, p-nitrophenyl-beta-D-gulcopyranos...				Chembiochem 11: 2125-31 (2010) Article DOI: 10.1002/cbic.201000376 BindingDB Entry DOI: 10.7270/Q2542M33
					More data for this Ligand-Target Pair
Alpha-glucosidase MAL12 (Saccharomyces cerevisiae)	BDBM84966 (Urea derivative, 10) Show SMILES Oc1ccc(\C=C\c2ccc(NC(=O)Nc3ccc(cc3)C(F)(F)F)cc2)cc1O Show InChI InChI=1S/C22H17F3N2O3/c23-22(24,25)16-6-10-18(11-7-16)27-21(30)26-17-8-3-14(4-9-17)1-2-15-5-12-19(28)20(29)13-15/h1-13,28-29H,(H2,26,27,30)/b2-1+	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.21E+4	n/a	2.88E+4	n/a	n/a	n/a	n/a	n/a	n/a
Gyeongsang National University					Assay Description All enzymatic activities were determined by using the appropriate substrate (p-nitrophenyl-alpha-D-glucopyranoside, p-nitrophenyl-beta-D-gulcopyranos...				Chembiochem 11: 2125-31 (2010) Article DOI: 10.1002/cbic.201000376 BindingDB Entry DOI: 10.7270/Q2542M33
					More data for this Ligand-Target Pair
Alpha-glucosidase MAL12 (Saccharomyces cerevisiae)	BDBM84970 (Urea derivative, 14) Show SMILES Oc1ccc(\C=C\c2ccc(NC(=O)Nc3ccccc3)cc2)cc1 Show InChI InChI=1S/C21H18N2O2/c24-20-14-10-17(11-15-20)7-6-16-8-12-19(13-9-16)23-21(25)22-18-4-2-1-3-5-18/h1-15,24H,(H2,22,23,25)/b7-6+	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.70E+4	n/a	2.91E+4	n/a	n/a	n/a	n/a	n/a	n/a
Gyeongsang National University					Assay Description All enzymatic activities were determined by using the appropriate substrate (p-nitrophenyl-alpha-D-glucopyranoside, p-nitrophenyl-beta-D-gulcopyranos...				Chembiochem 11: 2125-31 (2010) Article DOI: 10.1002/cbic.201000376 BindingDB Entry DOI: 10.7270/Q2542M33
					More data for this Ligand-Target Pair
Alpha-glucosidase MAL12 (Saccharomyces cerevisiae)	BDBM18351 ((2R,3R,4R,5S)-2-(Hydroxymethyl)piperidine-3,4,5-tr...) Show SMILES OC[C@H]1NC[C@H](O)[C@@H](O)[C@@H]1O Show InChI InChI=1S/C6H13NO4/c8-2-3-5(10)6(11)4(9)1-7-3/h3-11H,1-2H2/t3-,4+,5-,6-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.80E+4	n/a	3.95E+4	n/a	n/a	n/a	n/a	n/a	n/a
Gyeongsang National University					Assay Description All enzymatic activities were determined by using the appropriate substrate (p-nitrophenyl-alpha-D-glucopyranoside, p-nitrophenyl-beta-D-gulcopyranos...				Chembiochem 11: 2125-31 (2010) Article DOI: 10.1002/cbic.201000376 BindingDB Entry DOI: 10.7270/Q2542M33
					More data for this Ligand-Target Pair
Alpha-glucosidase MAL12 (Saccharomyces cerevisiae)	BDBM23926 ((E)-resveratrol | 5-[(E)-2-(4-hydroxyphenyl)etheny...) Show SMILES Oc1ccc(\C=C\c2cc(O)cc(O)c2)cc1 Show InChI InChI=1S/C14H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,15-17H/b2-1+	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	2.15E+4	n/a	2.64E+4	n/a	n/a	n/a	n/a	n/a	n/a
Gyeongsang National University					Assay Description All enzymatic activities were determined by using the appropriate substrate (p-nitrophenyl-alpha-D-glucopyranoside, p-nitrophenyl-beta-D-gulcopyranos...				Chembiochem 11: 2125-31 (2010) Article DOI: 10.1002/cbic.201000376 BindingDB Entry DOI: 10.7270/Q2542M33
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50256806 (CHEMBL4068458) Show SMILES [H][C@@]12[#6][C@@]3([H])[#6]=[#6]4-[#6](=O)-c5c(-[#8])c6-[#6]=[#6]C([#6])([#6])[#8]-c6c(-[#6]\[#6]=[#6](/[#6])-[#6])c5-[#8][C@@]14[C@]([#8]C2([#6])[#6])(\[#6]=[#6](\[#6])-[#6]-[#8])[#6]3=O |r,c:13,t:5,TLB:27:28:30.31:39.3.2,30:29:6.5:1.2,40:39:6.5:1.2,5:3:28:30.31,THB:31:1:6.5:29.39,7:6:29.39:1.2,40:39:28:30.31,34:29:6.5:1.2| Show InChI InChI=1S/C32H36O7/c1-16(2)8-9-20-26-19(10-11-29(4,5)37-26)24(34)23-25(35)21-12-18-13-22-30(6,7)39-31(28(18)36,14-17(3)15-33)32(21,22)38-27(20)23/h8,10-12,14,18,22,33-34H,9,13,15H2,1-7H3/b17-14-/t18-,22+,31+,32-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.93E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Division of Applied Life Science (BK21 Plus), IALS, Gyeongsang National University, Jinju 52828, Republic of Korea. Curated by ChEMBL					Assay Description Inhibition of recombinant human PTP1B (1 to 322 residues) expressed in Escherichia coli using pNPP as substrate preincubated for 60 mins followed by ...				Bioorg Med Chem 25: 2498-2506 (2017) Article DOI: 10.1016/j.bmc.2017.03.010 BindingDB Entry DOI: 10.7270/Q2Q81GHS
					More data for this Ligand-Target Pair
Alpha-glucosidase MAL12 (Saccharomyces cerevisiae)	BDBM84959 (Stilbene derivative, 2) Show SMILES Nc1ccc(\C=C\c2ccc(O)c(O)c2)cc1 Show InChI InChI=1S/C14H13NO2/c15-12-6-3-10(4-7-12)1-2-11-5-8-13(16)14(17)9-11/h1-9,16-17H,15H2/b2-1+	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.51E+4	n/a	4.64E+4	n/a	n/a	n/a	n/a	n/a	n/a
Gyeongsang National University					Assay Description All enzymatic activities were determined by using the appropriate substrate (p-nitrophenyl-alpha-D-glucopyranoside, p-nitrophenyl-beta-D-gulcopyranos...				Chembiochem 11: 2125-31 (2010) Article DOI: 10.1002/cbic.201000376 BindingDB Entry DOI: 10.7270/Q2542M33
					More data for this Ligand-Target Pair
Polyphenol oxidase 2 (Agaricus bisporus (Common mushroom))	BDBM50134713 (CHEMBL3746757) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])ccc(c1-[#8])-c1coc2cc(-[#8])cc(-[#8])c2c1=O Show InChI InChI=1S/C25H26O6/c1-14(2)5-4-6-15(3)7-8-18-20(27)10-9-17(24(18)29)19-13-31-22-12-16(26)11-21(28)23(22)25(19)30/h5,7,9-13,26-29H,4,6,8H2,1-3H3/b15-7+	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4.97E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Gyeongsang National University Curated by ChEMBL					Assay Description Competitive inhibition of monophenolase activity of mushroom tyrosinase using L-tyrosine as substrate preincubated for 5 to 60 mins by Lineweaver-Bur...				Bioorg Med Chem 24: 153-9 (2016) Article DOI: 10.1016/j.bmc.2015.11.040 BindingDB Entry DOI: 10.7270/Q2RN39PT
					More data for this Ligand-Target Pair
Polyphenol oxidase 2 (Agaricus bisporus (Common mushroom))	BDBM50134713 (CHEMBL3746757) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])ccc(c1-[#8])-c1coc2cc(-[#8])cc(-[#8])c2c1=O Show InChI InChI=1S/C25H26O6/c1-14(2)5-4-6-15(3)7-8-18-20(27)10-9-17(24(18)29)19-13-31-22-12-16(26)11-21(28)23(22)25(19)30/h5,7,9-13,26-29H,4,6,8H2,1-3H3/b15-7+	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4.97E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Gyeongsang National University Curated by ChEMBL					Assay Description Competitive inhibition of monophenolase activity of mushroom tyrosinase using L-tyrosine as substrate preincubated for 5 to 60 mins by Lineweaver-Bur...				Bioorg Med Chem 24: 153-9 (2016) Article DOI: 10.1016/j.bmc.2015.11.040 BindingDB Entry DOI: 10.7270/Q2RN39PT
					More data for this Ligand-Target Pair
Polyphenol oxidase 2 (Agaricus bisporus (Common mushroom))	BDBM50134711 (CHEMBL3746307) Show SMILES COc1cc(O)ccc1C1COc2cc3OC(C)(C)C=Cc3c(O)c2C1=O |c:20| Show InChI InChI=1S/C21H20O6/c1-21(2)7-6-13-16(27-21)9-17-18(19(13)23)20(24)14(10-26-17)12-5-4-11(22)8-15(12)25-3/h4-9,14,22-23H,10H2,1-3H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	5.67E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Gyeongsang National University Curated by ChEMBL					Assay Description Competitive inhibition of diphenolase activity of mushroom tyrosinase using L-DOPA as substrate preincubated for 5 to 60 mins by Lineweaver-Burk and ...				Bioorg Med Chem 24: 153-9 (2016) Article DOI: 10.1016/j.bmc.2015.11.040 BindingDB Entry DOI: 10.7270/Q2RN39PT
					More data for this Ligand-Target Pair
Polyphenol oxidase 2 (Agaricus bisporus (Common mushroom))	BDBM50134711 (CHEMBL3746307) Show SMILES COc1cc(O)ccc1C1COc2cc3OC(C)(C)C=Cc3c(O)c2C1=O |c:20| Show InChI InChI=1S/C21H20O6/c1-21(2)7-6-13-16(27-21)9-17-18(19(13)23)20(24)14(10-26-17)12-5-4-11(22)8-15(12)25-3/h4-9,14,22-23H,10H2,1-3H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	5.67E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Gyeongsang National University Curated by ChEMBL					Assay Description Competitive inhibition of diphenolase activity of mushroom tyrosinase using L-DOPA as substrate preincubated for 5 to 60 mins by Lineweaver-Burk and ...				Bioorg Med Chem 24: 153-9 (2016) Article DOI: 10.1016/j.bmc.2015.11.040 BindingDB Entry DOI: 10.7270/Q2RN39PT
					More data for this Ligand-Target Pair
Polyphenol oxidase 2 (Agaricus bisporus (Common mushroom))	BDBM50134710 (CHEMBL3745886) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])ccc(-[#6]-2-[#6]-[#8]-c3cc(-[#8])cc(-[#8])c3-[#6]-2=O)c1-[#8] Show InChI InChI=1S/C25H28O6/c1-14(2)5-4-6-15(3)7-8-18-20(27)10-9-17(24(18)29)19-13-31-22-12-16(26)11-21(28)23(22)25(19)30/h5,7,9-12,19,26-29H,4,6,8,13H2,1-3H3/b15-7+	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	7.64E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Gyeongsang National University Curated by ChEMBL					Assay Description Competitive inhibition of diphenolase activity of mushroom tyrosinase using L-DOPA as substrate preincubated for 5 to 60 mins by Lineweaver-Burk and ...				Bioorg Med Chem 24: 153-9 (2016) Article DOI: 10.1016/j.bmc.2015.11.040 BindingDB Entry DOI: 10.7270/Q2RN39PT
					More data for this Ligand-Target Pair
Polyphenol oxidase 2 (Agaricus bisporus (Common mushroom))	BDBM50134710 (CHEMBL3745886) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])ccc(-[#6]-2-[#6]-[#8]-c3cc(-[#8])cc(-[#8])c3-[#6]-2=O)c1-[#8] Show InChI InChI=1S/C25H28O6/c1-14(2)5-4-6-15(3)7-8-18-20(27)10-9-17(24(18)29)19-13-31-22-12-16(26)11-21(28)23(22)25(19)30/h5,7,9-12,19,26-29H,4,6,8,13H2,1-3H3/b15-7+	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	7.64E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Gyeongsang National University Curated by ChEMBL					Assay Description Competitive inhibition of diphenolase activity of mushroom tyrosinase using L-DOPA as substrate preincubated for 5 to 60 mins by Lineweaver-Burk and ...				Bioorg Med Chem 24: 153-9 (2016) Article DOI: 10.1016/j.bmc.2015.11.040 BindingDB Entry DOI: 10.7270/Q2RN39PT
					More data for this Ligand-Target Pair
Polyphenol oxidase 2 (Agaricus bisporus (Common mushroom))	BDBM50134712 (CHEMBL3746218) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])ccc(c1-[#8])C1([#8])[#6]-[#8]-c2cc(-[#8])cc(-[#8])c2-[#6]1=O Show InChI InChI=1S/C25H28O7/c1-14(2)5-4-6-15(3)7-8-17-19(27)10-9-18(23(17)29)25(31)13-32-21-12-16(26)11-20(28)22(21)24(25)30/h5,7,9-12,26-29,31H,4,6,8,13H2,1-3H3/b15-7+	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.14E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Gyeongsang National University Curated by ChEMBL					Assay Description Competitive inhibition of diphenolase activity of mushroom tyrosinase using L-DOPA as substrate preincubated for 5 to 60 mins by Lineweaver-Burk and ...				Bioorg Med Chem 24: 153-9 (2016) Article DOI: 10.1016/j.bmc.2015.11.040 BindingDB Entry DOI: 10.7270/Q2RN39PT
					More data for this Ligand-Target Pair
Polyphenol oxidase 2 (Agaricus bisporus (Common mushroom))	BDBM50134712 (CHEMBL3746218) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])ccc(c1-[#8])C1([#8])[#6]-[#8]-c2cc(-[#8])cc(-[#8])c2-[#6]1=O Show InChI InChI=1S/C25H28O7/c1-14(2)5-4-6-15(3)7-8-17-19(27)10-9-18(23(17)29)25(31)13-32-21-12-16(26)11-20(28)22(21)24(25)30/h5,7,9-12,26-29,31H,4,6,8,13H2,1-3H3/b15-7+	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.14E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Gyeongsang National University Curated by ChEMBL					Assay Description Competitive inhibition of diphenolase activity of mushroom tyrosinase using L-DOPA as substrate preincubated for 5 to 60 mins by Lineweaver-Burk and ...				Bioorg Med Chem 24: 153-9 (2016) Article DOI: 10.1016/j.bmc.2015.11.040 BindingDB Entry DOI: 10.7270/Q2RN39PT
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50330355 ((1R,5S)-N-cyclopropyl-7-(4-(2-(2,6-dichloro-4-meth...) Show SMILES Cc1cc(Cl)c(OCCOc2ccc(cc2)C2=C([C@H]3CNC[C@@H](C2)N3)C(=O)N(Cc2cccc(C)c2C)C2CC2)c(Cl)c1 |r,t:17| Show InChI InChI=1S/C35H39Cl2N3O3/c1-21-15-30(36)34(31(37)16-21)43-14-13-42-28-11-7-24(8-12-28)29-17-26-18-38-19-32(39-26)33(29)35(41)40(27-9-10-27)20-25-6-4-5-22(2)23(25)3/h4-8,11-12,15-16,26-27,32,38-39H,9-10,13-14,17-20H2,1-3H3/t26-,32-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	0.160	n/a	n/a	n/a	n/a	n/a	n/a
Gyeongsang National University (GNU) Curated by ChEMBL					Assay Description Inhibition of human renin				Eur J Med Chem 46: 2469-76 (2011) Article DOI: 10.1016/j.ejmech.2011.03.035 BindingDB Entry DOI: 10.7270/Q2GM87NM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Renin (Homo sapiens (Human))	BDBM17949 ((2R,4S,5S,7S)-5-amino-N-butyl-4-hydroxy-7-{[4-meth...) Show SMILES CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)C[C@H](Cc1ccc(OC)c(OCCCOC)c1)C(C)C |r| Show InChI InChI=1S/C27H48N2O5/c1-7-8-12-29-27(31)20(4)15-24(30)23(28)18-22(19(2)3)16-21-10-11-25(33-6)26(17-21)34-14-9-13-32-5/h10-11,17,19-20,22-24,30H,7-9,12-16,18,28H2,1-6H3,(H,29,31)/t20-,22+,23+,24+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Gyeongsang National University (GNU) Curated by ChEMBL					Assay Description Inhibition of human renin				Eur J Med Chem 46: 2469-76 (2011) Article DOI: 10.1016/j.ejmech.2011.03.035 BindingDB Entry DOI: 10.7270/Q2GM87NM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Renin (Homo sapiens (Human))	BDBM29949 (piperidine-1-carboxamide, 21l) Show SMILES [H][C@]1(CCCN(C1)C(=O)N[C@H](CNC)CC1CCCCC1)[C@@](O)(CCCCOC)c1cccc(Cl)c1 |r| Show InChI InChI=1S/C28H46ClN3O3/c1-30-20-26(18-22-10-4-3-5-11-22)31-27(33)32-16-9-13-24(21-32)28(34,15-6-7-17-35-2)23-12-8-14-25(29)19-23/h8,12,14,19,22,24,26,30,34H,3-7,9-11,13,15-18,20-21H2,1-2H3,(H,31,33)/t24-,26+,28-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	0.470	n/a	n/a	n/a	n/a	n/a	n/a
Gyeongsang National University (GNU) Curated by ChEMBL					Assay Description Inhibition of human renin				Eur J Med Chem 46: 2469-76 (2011) Article DOI: 10.1016/j.ejmech.2011.03.035 BindingDB Entry DOI: 10.7270/Q2GM87NM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Leukotriene A-4 hydrolase (Homo sapiens (Human))	BDBM50116537 (3-({3-[4-(Biphenyl-4-yloxy)-phenoxy]-propyl}-methy...) Show SMILES CN(CCCOc1ccc(Oc2ccc(cc2)-c2ccccc2)cc1)CCC(O)=O Show InChI InChI=1S/C25H27NO4/c1-26(18-16-25(27)28)17-5-19-29-22-12-14-24(15-13-22)30-23-10-8-21(9-11-23)20-6-3-2-4-7-20/h2-4,6-15H,5,16-19H2,1H3,(H,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Gyeongsang National University (GNU) Curated by ChEMBL					Assay Description Inhibition of human leukotriene A4 hydrolase				Eur J Med Chem 46: 1593-603 (2011) Article DOI: 10.1016/j.ejmech.2011.02.007 BindingDB Entry DOI: 10.7270/Q2K64JDG
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM17950 ((2S,4S,5S,7S)-5-amino-N-(2-carbamoyl-2,2-dimethyle...) Show SMILES COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C(C)C)C(=O)NCC(C)(C)C(N)=O)C(C)C)ccc1OC |r| Show InChI InChI=1S/C30H53N3O6/c1-19(2)22(14-21-10-11-26(38-8)27(15-21)39-13-9-12-37-7)16-24(31)25(34)17-23(20(3)4)28(35)33-18-30(5,6)29(32)36/h10-11,15,19-20,22-25,34H,9,12-14,16-18,31H2,1-8H3,(H2,32,36)(H,33,35)/t22-,23-,24-,25-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Gyeongsang National University (GNU) Curated by ChEMBL					Assay Description Inhibition of human renin				Eur J Med Chem 46: 2469-76 (2011) Article DOI: 10.1016/j.ejmech.2011.03.035 BindingDB Entry DOI: 10.7270/Q2GM87NM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Renin (Homo sapiens (Human))	BDBM50345192 (5-(2-(2-benzyl-3-(tert-butylsulfonyl)propanamido)-...) Show SMILES CCCCNC(=O)C(CC(=O)C(CC1CCCCC1)NC(=O)C(Cc1cnc[nH]1)NC(=O)C(Cc1ccccc1)CS(=O)(=O)C(C)(C)C)C(C)C Show InChI InChI=1S/C39H61N5O6S/c1-7-8-19-41-37(47)32(27(2)3)23-35(45)33(21-29-17-13-10-14-18-29)43-38(48)34(22-31-24-40-26-42-31)44-36(46)30(20-28-15-11-9-12-16-28)25-51(49,50)39(4,5)6/h9,11-12,15-16,24,26-27,29-30,32-34H,7-8,10,13-14,17-23,25H2,1-6H3,(H,40,42)(H,41,47)(H,43,48)(H,44,46)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Gyeongsang National University (GNU) Curated by ChEMBL					Assay Description Inhibition of human renin				Eur J Med Chem 46: 2469-76 (2011) Article DOI: 10.1016/j.ejmech.2011.03.035 BindingDB Entry DOI: 10.7270/Q2GM87NM
					More data for this Ligand-Target Pair				3D Structure (docked)
Renin (Homo sapiens (Human))	BDBM17943 (Renin nonpeptide inhibitor, 3 | methyl (3S)-1-[(5S...) Show SMILES CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)CC(C)(C)CC(=O)N1C[C@H](Cc2ccccc12)C(=O)OC |r| Show InChI InChI=1S/C27H43N3O5/c1-6-7-12-29-25(33)18(2)13-23(31)21(28)15-27(3,4)16-24(32)30-17-20(26(34)35-5)14-19-10-8-9-11-22(19)30/h8-11,18,20-21,23,31H,6-7,12-17,28H2,1-5H3,(H,29,33)/t18-,20+,21+,23+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Gyeongsang National University (GNU) Curated by ChEMBL					Assay Description Inhibition of human renin				Eur J Med Chem 46: 2469-76 (2011) Article DOI: 10.1016/j.ejmech.2011.03.035 BindingDB Entry DOI: 10.7270/Q2GM87NM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Renin (Homo sapiens (Human))	BDBM50345193 (CHEMBL1783186 | N-(4-amino-8-(butylamino)-5-hydrox...) Show SMILES CCCCNC(=O)C(C)CC(O)C(N)CC(CNC(=O)c1cccc(OCCCOC)c1)C(C)C Show InChI InChI=1S/C27H47N3O5/c1-6-7-12-29-26(32)20(4)15-25(31)24(28)17-22(19(2)3)18-30-27(33)21-10-8-11-23(16-21)35-14-9-13-34-5/h8,10-11,16,19-20,22,24-25,31H,6-7,9,12-15,17-18,28H2,1-5H3,(H,29,32)(H,30,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Gyeongsang National University (GNU) Curated by ChEMBL					Assay Description Inhibition of human renin				Eur J Med Chem 46: 2469-76 (2011) Article DOI: 10.1016/j.ejmech.2011.03.035 BindingDB Entry DOI: 10.7270/Q2GM87NM
					More data for this Ligand-Target Pair				3D Structure (docked)
Renin (Homo sapiens (Human))	BDBM50077669 ((S)-2-Benzyl-N-[(S)-1-((1S,2R,3S)-1-cyclohexylmeth...) Show SMILES CC(C)(C)S(=O)(=O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)C1CC1 Show InChI InChI=1S/C33H50N4O6S/c1-33(2,3)44(42,43)20-25(16-22-10-6-4-7-11-22)31(40)37-28(18-26-19-34-21-35-26)32(41)36-27(17-23-12-8-5-9-13-23)30(39)29(38)24-14-15-24/h4,6-7,10-11,19,21,23-25,27-30,38-39H,5,8-9,12-18,20H2,1-3H3,(H,34,35)(H,36,41)(H,37,40)/t25-,27+,28+,29+,30-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Gyeongsang National University (GNU) Curated by ChEMBL					Assay Description Inhibition of human renin				Eur J Med Chem 46: 2469-76 (2011) Article DOI: 10.1016/j.ejmech.2011.03.035 BindingDB Entry DOI: 10.7270/Q2GM87NM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM4552 (4-[(2,4-Dichloro-5-methoxyphenyl)amino]-6-methoxy-...) Show SMILES COc1cc(Nc2c(cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)C#N)c(Cl)cc1Cl Show InChI InChI=1S/C26H29Cl2N5O3/c1-32-6-8-33(9-7-32)5-4-10-36-25-13-21-18(11-24(25)35-3)26(17(15-29)16-30-21)31-22-14-23(34-2)20(28)12-19(22)27/h11-14,16H,4-10H2,1-3H3,(H,30,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Konkuk University Curated by ChEMBL					Assay Description Inhibition of Src kinase (unknown origin)				Bioorg Med Chem 17: 3152-61 (2009) Article DOI: 10.1016/j.bmc.2009.02.054 BindingDB Entry DOI: 10.7270/Q2V9880T
					More data for this Ligand-Target Pair

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