Compile Data Set for Download or QSAR

Found 352 hits with Last Name = 'ryu' and Initial = 'yb'   

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))	BDBM50269559 (2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4...) Show SMILES Oc1ccc(c(O)c1)-c1cc(=O)c2c(O)cc(O)cc2o1 Show InChI InChI=1S/C15H10O6/c16-7-1-2-9(10(18)3-7)13-6-12(20)15-11(19)4-8(17)5-14(15)21-13/h1-6,16-19H	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	0.610	-53.5	n/a	n/a	n/a	n/a	n/a	n/a	30
Gyeongsang National University					Assay Description Mushroom tyrosinase using either L-DOPA or L-tyrosine as substrate. In spectrophotometric experiments, enzyme activity was monitored by dopachrome f...				J Enzyme Inhib Med Chem 23: 922-30 (2008) Article DOI: 10.1080/14756360701810207 BindingDB Entry DOI: 10.7270/Q2P849G3
					More data for this Ligand-Target Pair
Polyphenol oxidase 2 (Agaricus bisporus (Common mushroom))	BDBM50343137 (CHEMBL1770313 | Cyclomorusin | Cycolmorusin, 2) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-1-[#8]-c2cc(-[#8])ccc2-c2oc3c4-[#6]=[#6]C([#6])([#6])[#8]-c4cc(-[#8])c3c(=O)c12 |c:18| Show InChI InChI=1S/C25H22O6/c1-12(2)9-19-21-22(28)20-16(27)11-18-15(7-8-25(3,4)31-18)23(20)30-24(21)14-6-5-13(26)10-17(14)29-19/h5-11,19,26-27H,1-4H3	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	46.4	-42.6	n/a	n/a	n/a	n/a	n/a	n/a	30
Gyeongsang National University					Assay Description Mushroom tyrosinase using either L-DOPA or L-tyrosine as substrate. In spectrophotometric experiments, enzyme activity was monitored by dopachrome f...				J Enzyme Inhib Med Chem 23: 922-30 (2008) Article DOI: 10.1080/14756360701810207 BindingDB Entry DOI: 10.7270/Q2P849G3
					More data for this Ligand-Target Pair
Polyphenol oxidase 2 (Agaricus bisporus (Common mushroom))	BDBM50254430 (CHEMBL468906 | broussonin C) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1cc(-[#6]-[#6]-[#6]-c2ccc(-[#8])cc2-[#8])ccc1-[#8] Show InChI InChI=1S/C20H24O3/c1-14(2)6-8-17-12-15(7-11-19(17)22)4-3-5-16-9-10-18(21)13-20(16)23/h6-7,9-13,21-23H,3-5,8H2,1-2H3	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem	Article PubMed	48.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Graduate School of Gyeongsang National University Curated by ChEMBL					Assay Description Inhibition of mushroom tyrosinase by kinetic based assay				Bioorg Med Chem 17: 35-41 (2008) Article DOI: 10.1016/j.bmc.2008.11.022 BindingDB Entry DOI: 10.7270/Q2GH9HTH
					More data for this Ligand-Target Pair
Polyphenol oxidase 2 (Agaricus bisporus (Common mushroom))	BDBM91591 (Mormin, 1) Show SMILES C\C(CO)=C/Cc1c(oc2c3C=CC(C)(CO)Oc3cc(O)c2c1=O)-c1ccc(O)cc1O |c:11| Show InChI InChI=1S/C25H24O8/c1-13(11-26)3-5-17-22(31)21-19(30)10-20-16(7-8-25(2,12-27)33-20)24(21)32-23(17)15-6-4-14(28)9-18(15)29/h3-4,6-10,26-30H,5,11-12H2,1-2H3/b13-3+	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	49.2	-42.4	n/a	n/a	n/a	n/a	n/a	n/a	30
Gyeongsang National University					Assay Description Mushroom tyrosinase using either L-DOPA or L-tyrosine as substrate. In spectrophotometric experiments, enzyme activity was monitored by dopachrome f...				J Enzyme Inhib Med Chem 23: 922-30 (2008) Article DOI: 10.1080/14756360701810207 BindingDB Entry DOI: 10.7270/Q2P849G3
					More data for this Ligand-Target Pair
Sialidase (Clostridium perfringens)	BDBM50278443 (1,3,6,7-tetrahydroxy-2-(3-methylbut-2-enyl)-8-(2-m...) Show SMILES [#6]\[#6](-[#6])=[#6]/[#6]-c1c(-[#8])c(-[#8])cc2-[#8]-[#6]-3-[#6]-[#6](=O)-[#6](-[#6](=O)-[#6]-3-[#6](=O)-c12)C([#6])([#6])[#6]=[#6] Show InChI InChI=1S/C23H26O6/c1-6-23(4,5)19-13(24)9-16-18(22(19)28)21(27)17-12(8-7-11(2)3)20(26)14(25)10-15(17)29-16/h6-7,10,16,18-19,25-26H,1,8-9H2,2-5H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	58	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Graduate School of Gyeongsang National University Curated by ChEMBL					Assay Description Competitive inhibition of Clostridium perfringens neuraminidase by Lineweaver-Burke plot and Dixon plot				Bioorg Med Chem 17: 2744-50 (2009) Article DOI: 10.1016/j.bmc.2009.02.042 BindingDB Entry DOI: 10.7270/Q2V69KG5
					More data for this Ligand-Target Pair
Polyphenol oxidase 2 (Agaricus bisporus (Common mushroom))	BDBM50242015 (CHEMBL518543 | Kuwanon C, 4 | kuwanon C) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])cc(-[#8])c2c1oc(-c1ccc(-[#8])cc1-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c2=O Show InChI InChI=1S/C25H26O6/c1-13(2)5-8-17-20(28)12-21(29)22-23(30)18(9-6-14(3)4)24(31-25(17)22)16-10-7-15(26)11-19(16)27/h5-7,10-12,26-29H,8-9H2,1-4H3	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	80.5	-41.2	n/a	n/a	n/a	n/a	n/a	n/a	30
Gyeongsang National University					Assay Description Mushroom tyrosinase using either L-DOPA or L-tyrosine as substrate. In spectrophotometric experiments, enzyme activity was monitored by dopachrome f...				J Enzyme Inhib Med Chem 23: 922-30 (2008) Article DOI: 10.1080/14756360701810207 BindingDB Entry DOI: 10.7270/Q2P849G3
					More data for this Ligand-Target Pair
Sialidase (Clostridium perfringens)	BDBM50175018 (4,7,8-trihydroxy-2,3,3-trimethyl-9-(3-methylbut-2-...) Show SMILES [#6]-[#6]1-[#8]-c2cc3oc4c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c(-[#8])cc4c(=O)c3c(-[#8])c2C1([#6])[#6] Show InChI InChI=1S/C23H24O6/c1-10(2)6-7-12-19(25)14(24)8-13-20(26)17-15(29-22(12)13)9-16-18(21(17)27)23(4,5)11(3)28-16/h6,8-9,11,24-25,27H,7H2,1-5H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	98	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Graduate School of Gyeongsang National University Curated by ChEMBL					Assay Description Competitive inhibition of Clostridium perfringens neuraminidase by Lineweaver-Burke plot and Dixon plot				Bioorg Med Chem 17: 2744-50 (2009) Article DOI: 10.1016/j.bmc.2009.02.042 BindingDB Entry DOI: 10.7270/Q2V69KG5
					More data for this Ligand-Target Pair
Sialidase (Clostridium perfringens)	BDBM50378020 (MACLURAXANTHONE) Show SMILES CC(C)(C=C)c1c2OC(C)(C)C=Cc2c(O)c2c1oc1c(O)c(O)ccc1c2=O |c:11| Show InChI InChI=1S/C23H22O6/c1-6-22(2,3)15-19-12(9-10-23(4,5)29-19)17(26)14-16(25)11-7-8-13(24)18(27)20(11)28-21(14)15/h6-10,24,26-27H,1H2,2-5H3	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem	Article PubMed	103	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Graduate School of Gyeongsang National University Curated by ChEMBL					Assay Description Competitive inhibition of Clostridium perfringens neuraminidase by Lineweaver-Burke plot and Dixon plot				Bioorg Med Chem 17: 2744-50 (2009) Article DOI: 10.1016/j.bmc.2009.02.042 BindingDB Entry DOI: 10.7270/Q2V69KG5
					More data for this Ligand-Target Pair
Sialidase (Clostridium perfringens)	BDBM50278443 (1,3,6,7-tetrahydroxy-2-(3-methylbut-2-enyl)-8-(2-m...) Show SMILES [#6]\[#6](-[#6])=[#6]/[#6]-c1c(-[#8])c(-[#8])cc2-[#8]-[#6]-3-[#6]-[#6](=O)-[#6](-[#6](=O)-[#6]-3-[#6](=O)-c12)C([#6])([#6])[#6]=[#6] Show InChI InChI=1S/C23H26O6/c1-6-23(4,5)19-13(24)9-16-18(22(19)28)21(27)17-12(8-7-11(2)3)20(26)14(25)10-15(17)29-16/h6-7,10,16,18-19,25-26H,1,8-9H2,2-5H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	127	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Graduate School of Gyeongsang National University Curated by ChEMBL					Assay Description Apparent binding affinity at Clostridium perfringens neuraminidase by fluorimetry				Bioorg Med Chem 17: 2744-50 (2009) Article DOI: 10.1016/j.bmc.2009.02.042 BindingDB Entry DOI: 10.7270/Q2V69KG5
					More data for this Ligand-Target Pair
Sialidase (Clostridium perfringens)	BDBM50278346 (CHEMBL470844 | Cudratricusxanthone) Show SMILES [#6]\[#6](-[#6])=[#6]/[#6]-c1c(-[#8])c(-[#8])cc2-[#8]-[#6]-3-[#6](-[#6](=O)-[#6]-[#6](=O)-[#6]-3C([#6])([#6])[#6]=[#6])-[#6](=O)-c12 Show InChI InChI=1S/C23H26O6/c1-6-23(4,5)19-14(25)9-13(24)18-21(28)17-12(8-7-11(2)3)20(27)15(26)10-16(17)29-22(18)19/h6-7,10,18-19,22,26-27H,1,8-9H2,2-5H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	136	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Graduate School of Gyeongsang National University Curated by ChEMBL					Assay Description Competitive inhibition of Clostridium perfringens neuraminidase by Lineweaver-Burke plot and Dixon plot				Bioorg Med Chem 17: 2744-50 (2009) Article DOI: 10.1016/j.bmc.2009.02.042 BindingDB Entry DOI: 10.7270/Q2V69KG5
					More data for this Ligand-Target Pair
Sialidase (Clostridium perfringens)	BDBM50175013 (1,3,6,7-tetrahydroxy-5-(3-methylbut-2-enyl)-2-(2-m...) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])c(-[#8])cc2c1oc1cc(-[#8])c(c(-[#8])c1c2=O)C([#6])([#6])[#6]=[#6] Show InChI InChI=1S/C23H24O6/c1-6-23(4,5)18-14(24)10-16-17(21(18)28)20(27)13-9-15(25)19(26)12(22(13)29-16)8-7-11(2)3/h6-7,9-10,24-26,28H,1,8H2,2-5H3	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	138	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Graduate School of Gyeongsang National University Curated by ChEMBL					Assay Description Competitive inhibition of Clostridium perfringens neuraminidase by Lineweaver-Burke plot and Dixon plot				Bioorg Med Chem 17: 2744-50 (2009) Article DOI: 10.1016/j.bmc.2009.02.042 BindingDB Entry DOI: 10.7270/Q2V69KG5
					More data for this Ligand-Target Pair
Sialidase (Clostridium perfringens)	BDBM50175019 (2,3,8-trihydroxy-6-methoxy-1-(3-methylbut-2-enyl)-...) Show SMILES [#6]-[#8]-c1cc(-[#8])c2c(oc3cc(-[#8])c(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c3c2=O)c1C([#6])([#6])[#6]=[#6] Show InChI InChI=1S/C24H26O6/c1-7-24(4,5)20-17(29-6)10-14(25)19-22(28)18-13(9-8-12(2)3)21(27)15(26)11-16(18)30-23(19)20/h7-8,10-11,25-27H,1,9H2,2-6H3	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	143	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Graduate School of Gyeongsang National University Curated by ChEMBL					Assay Description Competitive inhibition of Clostridium perfringens neuraminidase by Lineweaver-Burke plot and Dixon plot				Bioorg Med Chem 17: 2744-50 (2009) Article DOI: 10.1016/j.bmc.2009.02.042 BindingDB Entry DOI: 10.7270/Q2V69KG5
					More data for this Ligand-Target Pair
Sialidase (Clostridium perfringens)	BDBM50325675 (CHEMBL480158 | smeathxanthone A) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])cc2oc3c(-[#8])ccc(-[#8])c3c(=O)c2c1-[#8] Show InChI InChI=1S/C23H24O6/c1-12(2)5-4-6-13(3)7-8-14-17(26)11-18-20(21(14)27)22(28)19-15(24)9-10-16(25)23(19)29-18/h5,7,9-11,24-27H,4,6,8H2,1-3H3/b13-7+	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Graduate School of Gyeongsang National University Curated by ChEMBL					Assay Description Competitive inhibition of Clostridium perfringens neuraminidase by fluorometry				Bioorg Med Chem 18: 6258-64 (2010) Article DOI: 10.1016/j.bmc.2010.07.033 BindingDB Entry DOI: 10.7270/Q2BK1CK4
					More data for this Ligand-Target Pair
Polyphenol oxidase 2 (Agaricus bisporus (Common mushroom))	BDBM50251001 (CHEMBL457677 | Kazinol F) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#6]-[#6]-[#6]-c2ccc(-[#8])cc2-[#8])cc(-[#8])c(-[#8])c1-[#6]\[#6]=[#6](/[#6])-[#6] Show InChI InChI=1S/C25H32O4/c1-16(2)8-12-21-19(7-5-6-18-10-11-20(26)15-23(18)27)14-24(28)25(29)22(21)13-9-17(3)4/h8-11,14-15,26-29H,5-7,12-13H2,1-4H3	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	181	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Graduate School of Gyeongsang National University Curated by ChEMBL					Assay Description Inhibition of mushroom tyrosinase by kinetic based assay				Bioorg Med Chem 17: 35-41 (2008) Article DOI: 10.1016/j.bmc.2008.11.022 BindingDB Entry DOI: 10.7270/Q2GH9HTH
					More data for this Ligand-Target Pair
Sialidase (Clostridium perfringens)	BDBM50278346 (CHEMBL470844 | Cudratricusxanthone) Show SMILES [#6]\[#6](-[#6])=[#6]/[#6]-c1c(-[#8])c(-[#8])cc2-[#8]-[#6]-3-[#6](-[#6](=O)-[#6]-[#6](=O)-[#6]-3C([#6])([#6])[#6]=[#6])-[#6](=O)-c12 Show InChI InChI=1S/C23H26O6/c1-6-23(4,5)19-14(25)9-13(24)18-21(28)17-12(8-7-11(2)3)20(27)15(26)10-16(17)29-22(18)19/h6-7,10,18-19,22,26-27H,1,8-9H2,2-5H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	214	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Graduate School of Gyeongsang National University Curated by ChEMBL					Assay Description Apparent binding affinity at Clostridium perfringens neuraminidase by fluorimetry				Bioorg Med Chem 17: 2744-50 (2009) Article DOI: 10.1016/j.bmc.2009.02.042 BindingDB Entry DOI: 10.7270/Q2V69KG5
					More data for this Ligand-Target Pair
Polyphenol oxidase 2 (Agaricus bisporus (Common mushroom))	BDBM50254430 (CHEMBL468906 | broussonin C) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1cc(-[#6]-[#6]-[#6]-c2ccc(-[#8])cc2-[#8])ccc1-[#8] Show InChI InChI=1S/C20H24O3/c1-14(2)6-8-17-12-15(7-11-19(17)22)4-3-5-16-9-10-18(21)13-20(16)23/h6-7,9-13,21-23H,3-5,8H2,1-2H3	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem	Article PubMed	230	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Graduate School of Gyeongsang National University Curated by ChEMBL					Assay Description Inhibition of monophenolase activity of mushroom tyrosinase using as L-tyrosine substrate by Lineweaver-Burk plot based kinetic assay				Bioorg Med Chem 17: 35-41 (2008) Article DOI: 10.1016/j.bmc.2008.11.022 BindingDB Entry DOI: 10.7270/Q2GH9HTH
					More data for this Ligand-Target Pair
Polyphenol oxidase 2 (Agaricus bisporus (Common mushroom))	BDBM50254430 (CHEMBL468906 | broussonin C) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1cc(-[#6]-[#6]-[#6]-c2ccc(-[#8])cc2-[#8])ccc1-[#8] Show InChI InChI=1S/C20H24O3/c1-14(2)6-8-17-12-15(7-11-19(17)22)4-3-5-16-9-10-18(21)13-20(16)23/h6-7,9-13,21-23H,3-5,8H2,1-2H3	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem	Article PubMed	290	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Graduate School of Gyeongsang National University Curated by ChEMBL					Assay Description Inhibition of diphenolase activity of mushroom tyrosinase using as L-DOPA substrate by Lineweaver-Burk plot based kinetic assay				Bioorg Med Chem 17: 35-41 (2008) Article DOI: 10.1016/j.bmc.2008.11.022 BindingDB Entry DOI: 10.7270/Q2GH9HTH
					More data for this Ligand-Target Pair
Polyphenol oxidase 2 (Agaricus bisporus (Common mushroom))	BDBM50251001 (CHEMBL457677 | Kazinol F) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#6]-[#6]-[#6]-c2ccc(-[#8])cc2-[#8])cc(-[#8])c(-[#8])c1-[#6]\[#6]=[#6](/[#6])-[#6] Show InChI InChI=1S/C25H32O4/c1-16(2)8-12-21-19(7-5-6-18-10-11-20(26)15-23(18)27)14-24(28)25(29)22(21)13-9-17(3)4/h8-11,14-15,26-29H,5-7,12-13H2,1-4H3	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	410	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Graduate School of Gyeongsang National University Curated by ChEMBL					Assay Description Inhibition of monophenolase activity of mushroom tyrosinase using as L-tyrosine substrate by Lineweaver-Burk plot based kinetic assay				Bioorg Med Chem 17: 35-41 (2008) Article DOI: 10.1016/j.bmc.2008.11.022 BindingDB Entry DOI: 10.7270/Q2GH9HTH
					More data for this Ligand-Target Pair
Sialidase (Clostridium perfringens)	BDBM50175019 (2,3,8-trihydroxy-6-methoxy-1-(3-methylbut-2-enyl)-...) Show SMILES [#6]-[#8]-c1cc(-[#8])c2c(oc3cc(-[#8])c(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c3c2=O)c1C([#6])([#6])[#6]=[#6] Show InChI InChI=1S/C24H26O6/c1-7-24(4,5)20-17(29-6)10-14(25)19-22(28)18-13(9-8-12(2)3)21(27)15(26)11-16(18)30-23(19)20/h7-8,10-11,25-27H,1,9H2,2-6H3	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	436	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Graduate School of Gyeongsang National University Curated by ChEMBL					Assay Description Apparent binding affinity at Clostridium perfringens neuraminidase by fluorimetry				Bioorg Med Chem 17: 2744-50 (2009) Article DOI: 10.1016/j.bmc.2009.02.042 BindingDB Entry DOI: 10.7270/Q2V69KG5
					More data for this Ligand-Target Pair
Sialidase (Clostridium perfringens)	BDBM50378020 (MACLURAXANTHONE) Show SMILES CC(C)(C=C)c1c2OC(C)(C)C=Cc2c(O)c2c1oc1c(O)c(O)ccc1c2=O |c:11| Show InChI InChI=1S/C23H22O6/c1-6-22(2,3)15-19-12(9-10-23(4,5)29-19)17(26)14-16(25)11-7-8-13(24)18(27)20(11)28-21(14)15/h6-10,24,26-27H,1H2,2-5H3	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem	Article PubMed	477	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Graduate School of Gyeongsang National University Curated by ChEMBL					Assay Description Apparent binding affinity at Clostridium perfringens neuraminidase by fluorimetry				Bioorg Med Chem 17: 2744-50 (2009) Article DOI: 10.1016/j.bmc.2009.02.042 BindingDB Entry DOI: 10.7270/Q2V69KG5
					More data for this Ligand-Target Pair
Sialidase (Clostridium perfringens)	BDBM50175018 (4,7,8-trihydroxy-2,3,3-trimethyl-9-(3-methylbut-2-...) Show SMILES [#6]-[#6]1-[#8]-c2cc3oc4c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c(-[#8])cc4c(=O)c3c(-[#8])c2C1([#6])[#6] Show InChI InChI=1S/C23H24O6/c1-10(2)6-7-12-19(25)14(24)8-13-20(26)17-15(29-22(12)13)9-16-18(21(17)27)23(4,5)11(3)28-16/h6,8-9,11,24-25,27H,7H2,1-5H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	510	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Graduate School of Gyeongsang National University Curated by ChEMBL					Assay Description Apparent binding affinity at Clostridium perfringens neuraminidase by fluorimetry				Bioorg Med Chem 17: 2744-50 (2009) Article DOI: 10.1016/j.bmc.2009.02.042 BindingDB Entry DOI: 10.7270/Q2V69KG5
					More data for this Ligand-Target Pair
Sialidase (Clostridium perfringens)	BDBM50175013 (1,3,6,7-tetrahydroxy-5-(3-methylbut-2-enyl)-2-(2-m...) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])c(-[#8])cc2c1oc1cc(-[#8])c(c(-[#8])c1c2=O)C([#6])([#6])[#6]=[#6] Show InChI InChI=1S/C23H24O6/c1-6-23(4,5)18-14(24)10-16-17(21(18)28)20(27)13-9-15(25)19(26)12(22(13)29-16)8-7-11(2)3/h6-7,9-10,24-26,28H,1,8H2,2-5H3	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	568	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Graduate School of Gyeongsang National University Curated by ChEMBL					Assay Description Apparent binding affinity at Clostridium perfringens neuraminidase by fluorimetry				Bioorg Med Chem 17: 2744-50 (2009) Article DOI: 10.1016/j.bmc.2009.02.042 BindingDB Entry DOI: 10.7270/Q2V69KG5
					More data for this Ligand-Target Pair
Polyphenol oxidase 2 (Agaricus bisporus (Common mushroom))	BDBM50251001 (CHEMBL457677 | Kazinol F) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#6]-[#6]-[#6]-c2ccc(-[#8])cc2-[#8])cc(-[#8])c(-[#8])c1-[#6]\[#6]=[#6](/[#6])-[#6] Show InChI InChI=1S/C25H32O4/c1-16(2)8-12-21-19(7-5-6-18-10-11-20(26)15-23(18)27)14-24(28)25(29)22(21)13-9-17(3)4/h8-11,14-15,26-29H,5-7,12-13H2,1-4H3	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	770	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Graduate School of Gyeongsang National University Curated by ChEMBL					Assay Description Inhibition of diphenolase activity of mushroom tyrosinase using as L-DOPA substrate by Lineweaver-Burk plot based kinetic assay				Bioorg Med Chem 17: 35-41 (2008) Article DOI: 10.1016/j.bmc.2008.11.022 BindingDB Entry DOI: 10.7270/Q2GH9HTH
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Sialidase (Clostridium perfringens)	BDBM50241453 (1,3,6,7-tetrahydroxy-2,8-bis(3-methylbut-2-enyl)-9...) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])cc2oc3cc(-[#8])c(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c3c(=O)c2c1-[#8] Show InChI InChI=1S/C23H24O6/c1-11(2)5-7-13-15(24)9-18-20(22(13)27)23(28)19-14(8-6-12(3)4)21(26)16(25)10-17(19)29-18/h5-6,9-10,24-27H,7-8H2,1-4H3	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Graduate School of Gyeongsang National University Curated by ChEMBL					Assay Description Competitive inhibition of Clostridium perfringens neuraminidase by fluorometry				Bioorg Med Chem 18: 6258-64 (2010) Article DOI: 10.1016/j.bmc.2010.07.033 BindingDB Entry DOI: 10.7270/Q2BK1CK4
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM50481948 (Iguesterin | acs.jmedchem.1c00409_ST.224) Show SMILES [H][C@@]12CC(C)=CC[C@]1(C)CC[C@]1(C)C3=CC=C4C(C)=C(O)C(=O)C=C4[C@]3(C)CC[C@@]21C |r,c:4,24,t:14,16,19| Show InChI InChI=1S/C28H36O2/c1-17-9-10-25(3)11-13-27(5)22-8-7-19-18(2)24(30)21(29)16-20(19)26(22,4)12-14-28(27,6)23(25)15-17/h7-9,16,23,30H,10-15H2,1-6H3/t23-,25-,26+,27-,28+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Bioscience and Biotechnology Curated by ChEMBL					Assay Description Inhibition of 3C-like protease of SARS coronavirus assessed as concentration of FRET peptide for 60 mins by dixon plot				Bioorg Med Chem Lett 20: 1873-6 (2010) Article DOI: 10.1016/j.bmcl.2010.01.152 BindingDB Entry DOI: 10.7270/Q28P63CF
					More data for this Ligand-Target Pair
Polyphenol oxidase 2 (Agaricus bisporus (Common mushroom))	BDBM50254431 (5'-(2-methylbut-3-en-2-yl)-6''-(3-methylbut-2-enyl...) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#6]-[#6]-[#6]-c2cc(c(-[#8])cc2-[#8])C([#6])([#6])[#6]=[#6])cc(-[#8])c(-[#8])c1-[#6]-[#6]1-[#8]C1([#6])[#6] Show InChI InChI=1S/C30H40O5/c1-8-29(4,5)23-14-20(24(31)17-25(23)32)11-9-10-19-15-26(33)28(34)22(16-27-30(6,7)35-27)21(19)13-12-18(2)3/h8,12,14-15,17,27,31-34H,1,9-11,13,16H2,2-7H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	870	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Graduate School of Gyeongsang National University Curated by ChEMBL					Assay Description Inhibition of mushroom tyrosinase by kinetic based assay				Bioorg Med Chem 17: 35-41 (2008) Article DOI: 10.1016/j.bmc.2008.11.022 BindingDB Entry DOI: 10.7270/Q2GH9HTH
					More data for this Ligand-Target Pair
Sialidase (Clostridium perfringens)	BDBM50278394 (CHEMBL469813 | Cudratricusxanthone F) Show SMILES [#6]-[#8]-[#6]-1=[#6](-[#6]-2-[#8]-c3cc(-[#8])c(-[#8])c(-[#6]\[#6]=[#6](/[#6])-[#6])c3-[#6](=O)-[#6]-2-[#6](=O)-[#6]-1)C([#6])([#6])[#6]=[#6] |t:2| Show InChI InChI=1S/C24H28O6/c1-7-24(4,5)20-17(29-6)10-14(25)19-22(28)18-13(9-8-12(2)3)21(27)15(26)11-16(18)30-23(19)20/h7-8,11,19,23,26-27H,1,9-10H2,2-6H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	950	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Graduate School of Gyeongsang National University Curated by ChEMBL					Assay Description Competitive inhibition of Clostridium perfringens neuraminidase by Lineweaver-Burke plot and Dixon plot				Bioorg Med Chem 17: 2744-50 (2009) Article DOI: 10.1016/j.bmc.2009.02.042 BindingDB Entry DOI: 10.7270/Q2V69KG5
					More data for this Ligand-Target Pair
Carboxylic ester hydrolase (Equus caballus (Horse))	BDBM50380205 (NYMPHAEOL A) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])cc2-[#8]-[#6@@H](-[#6]-[#6](=O)-c2c1-[#8])-c1ccc(-[#8])c(-[#8])c1 |r| Show InChI InChI=1S/C25H28O6/c1-14(2)5-4-6-15(3)7-9-17-19(27)12-23-24(25(17)30)21(29)13-22(31-23)16-8-10-18(26)20(28)11-16/h5,7-8,10-12,22,26-28,30H,4,6,9,13H2,1-3H3/b15-7+/t22-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Graduate School of Gyeongsang National University Curated by ChEMBL					Assay Description Mixed type inhibition of equine BChE using butyrylthiocholine iodide as substrate by Lineweaver-Burk double-reciprocal-plot and dixon plot analysis				Bioorg Med Chem 20: 2595-602 (2012) Article DOI: 10.1016/j.bmc.2012.02.044 BindingDB Entry DOI: 10.7270/Q22808MC
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Beta-secretase 1 (Homo sapiens (Human))	BDBM50242015 (CHEMBL518543 | Kuwanon C, 4 | kuwanon C) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])cc(-[#8])c2c1oc(-c1ccc(-[#8])cc1-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c2=O Show InChI InChI=1S/C25H26O6/c1-13(2)5-8-17-20(28)12-21(29)22-23(30)18(9-6-14(3)4)24(31-25(17)22)16-10-7-15(26)11-19(16)27/h5-7,10-12,26-29H,8-9H2,1-4H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	2.20E+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 Noncompetitive inhibition of human recombinant BACE-1 by Dixon plot analysis				Bioorg Med Chem Lett 21: 2945-8 (2011) Article DOI: 10.1016/j.bmcl.2011.03.060 BindingDB Entry DOI: 10.7270/Q2QR4XF7
					More data for this Ligand-Target Pair
Sialidase (Clostridium perfringens)	BDBM50278394 (CHEMBL469813 | Cudratricusxanthone F) Show SMILES [#6]-[#8]-[#6]-1=[#6](-[#6]-2-[#8]-c3cc(-[#8])c(-[#8])c(-[#6]\[#6]=[#6](/[#6])-[#6])c3-[#6](=O)-[#6]-2-[#6](=O)-[#6]-1)C([#6])([#6])[#6]=[#6] |t:2| Show InChI InChI=1S/C24H28O6/c1-7-24(4,5)20-17(29-6)10-14(25)19-22(28)18-13(9-8-12(2)3)21(27)15(26)11-16(18)30-23(19)20/h7-8,11,19,23,26-27H,1,9-10H2,2-6H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.23E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Graduate School of Gyeongsang National University Curated by ChEMBL					Assay Description Apparent binding affinity at Clostridium perfringens neuraminidase by fluorimetry				Bioorg Med Chem 17: 2744-50 (2009) Article DOI: 10.1016/j.bmc.2009.02.042 BindingDB Entry DOI: 10.7270/Q2V69KG5
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM50259983 (CHEMBL508791 | US10106521, Compound Dieckol | diec...) Show SMILES Oc1cc(O)cc(Oc2c(O)cc(O)c3Oc4cc(Oc5c(O)cc(Oc6c(O)cc(O)c7Oc8cc(O)cc(O)c8Oc67)cc5O)cc(O)c4Oc23)c1 Show InChI InChI=1S/C36H22O18/c37-12-1-13(38)3-15(2-12)49-31-22(44)10-25(47)34-35(31)54-30-21(43)8-17(9-27(30)52-34)48-28-19(41)6-16(7-20(28)42)50-32-23(45)11-24(46)33-36(32)53-29-18(40)4-14(39)5-26(29)51-33/h1-11,37-47H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Bioscience and Biotechnology Curated by ChEMBL					Assay Description Competitive inhibition of C-terminal His6-tagged recombinant SARS coronavirus 3C-like protease trans-cleavage activity expressed in Escherichia coli ...				Bioorg Med Chem 21: 3730-7 (2013) Article DOI: 10.1016/j.bmc.2013.04.026 BindingDB Entry DOI: 10.7270/Q24J0J2W
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Polyphenol oxidase 2 (Agaricus bisporus (Common mushroom))	BDBM50068224 ((E)-1,3-Bis-(4-hydroxy-phenyl)-propenone | 1,3-bis...) Show SMILES Oc1ccc(\C=C\C(=O)c2ccc(O)cc2)cc1 Show InChI InChI=1S/C15H12O3/c16-13-6-1-11(2-7-13)3-10-15(18)12-4-8-14(17)9-5-12/h1-10,16-17H/b10-3+	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Department of Functional Crop Curated by ChEMBL					Assay Description Competitive inhibition of monophenolase activity of mushroom tyrosinase using as L-tyrosine substrate by Lineweaver-Burk plot analysis				Eur J Med Chem 45: 2010-7 (2010) Article DOI: 10.1016/j.ejmech.2010.01.049 BindingDB Entry DOI: 10.7270/Q2H70FZM
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM50481947 (CHEBI:8416 | GNF-Pf-476 | PRISTIMERIN | Pristimeri...) Show SMILES [H][C@@]12C[C@@](C)(CC[C@]1(C)CC[C@]1(C)C3=CC=C4C(C)=C(O)C(=O)C=C4[C@]3(C)CC[C@@]21C)C(=O)OC |r,c:24,t:14,16,19| Show InChI InChI=1S/C30H40O4/c1-18-19-8-9-22-28(4,20(19)16-21(31)24(18)32)13-15-30(6)23-17-27(3,25(33)34-7)11-10-26(23,2)12-14-29(22,30)5/h8-9,16,23,32H,10-15,17H2,1-7H3/t23-,26-,27-,28+,29-,30+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem	Article PubMed	3.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Bioscience and Biotechnology Curated by ChEMBL					Assay Description Inhibition of 3C-like protease of SARS coronavirus assessed as concentration of FRET peptide for 60 mins by dixon plot				Bioorg Med Chem Lett 20: 1873-6 (2010) Article DOI: 10.1016/j.bmcl.2010.01.152 BindingDB Entry DOI: 10.7270/Q28P63CF
					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
Sialidase (Clostridium perfringens)	BDBM50250510 (CHEMBL462879 | GARCINONE D) Show SMILES [#6]-[#8]-c1c(-[#8])cc2oc3cc(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c3c(=O)c2c1-[#6]-[#6]C([#6])([#6])[#8] Show InChI InChI=1S/C24H28O7/c1-12(2)6-7-13-15(25)10-18-20(21(13)27)22(28)19-14(8-9-24(3,4)29)23(30-5)16(26)11-17(19)31-18/h6,10-11,25-27,29H,7-9H2,1-5H3	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	3.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Graduate School of Gyeongsang National University Curated by ChEMBL					Assay Description Competitive inhibition of Clostridium perfringens neuraminidase by fluorometry				Bioorg Med Chem 18: 6258-64 (2010) Article DOI: 10.1016/j.bmc.2010.07.033 BindingDB Entry DOI: 10.7270/Q2BK1CK4
					More data for this Ligand-Target Pair
Sialidase (Clostridium perfringens)	BDBM50311743 (CHEMBL487992 | GARTANIN) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c2oc3c(-[#8])ccc(-[#8])c3c(=O)c2c1-[#8] Show InChI InChI=1S/C23H24O6/c1-11(2)5-7-13-19(26)14(8-6-12(3)4)22-18(20(13)27)21(28)17-15(24)9-10-16(25)23(17)29-22/h5-6,9-10,24-27H,7-8H2,1-4H3	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	3.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Graduate School of Gyeongsang National University Curated by ChEMBL					Assay Description Competitive inhibition of Clostridium perfringens neuraminidase by fluorometry				Bioorg Med Chem 18: 6258-64 (2010) Article DOI: 10.1016/j.bmc.2010.07.033 BindingDB Entry DOI: 10.7270/Q2BK1CK4
					More data for this Ligand-Target Pair
Polyphenol oxidase 2 (Agaricus bisporus (Common mushroom))	BDBM50174839 (1-(4-aminophenyl)-3-(4-hydroxyphenyl)prop-2-en-1-o...) Show SMILES Nc1ccc(cc1)C(=O)\C=C\c1ccc(O)cc1 Show InChI InChI=1S/C15H13NO2/c16-13-6-4-12(5-7-13)15(18)10-3-11-1-8-14(17)9-2-11/h1-10,17H,16H2/b10-3+	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Department of Functional Crop Curated by ChEMBL					Assay Description Competitive inhibition of monophenolase activity of mushroom tyrosinase using as L-tyrosine substrate by Lineweaver-Burk plot analysis				Eur J Med Chem 45: 2010-7 (2010) Article DOI: 10.1016/j.ejmech.2010.01.049 BindingDB Entry DOI: 10.7270/Q2H70FZM
					More data for this Ligand-Target Pair
Sialidase (Clostridium perfringens)	BDBM412955 (US10406136, Compound 8) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])cc2-[#8]-[#6](-[#6]-[#6](=O)-c2c1-[#8])-c1ccc(-[#8])c(-[#6])c1 Show InChI InChI=1S/C26H30O5/c1-15(2)6-5-7-16(3)8-10-19-21(28)13-24-25(26(19)30)22(29)14-23(31-24)18-9-11-20(27)17(4)12-18/h6,8-9,11-13,23,27-28,30H,5,7,10,14H2,1-4H3/b16-8+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	UniChem	US Patent	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INDUSTRY-ACADEMIC COOPERATION FOUNDATION GYEONGSANG NATIONAL UNIVERSITY US Patent					Assay Description Specifically, in order to determine IC50 of the compounds for neuraminidase, 0.01 U/ml of neuraminidase (EC. 3.2.1.8, C. perfringens, SIGMA, N2876) a...				US Patent US10406136 (2019) BindingDB Entry DOI: 10.7270/Q2NS0X86
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM50071055 ((6bS,8aS,11R,12aR,12bS,14aR)-3-Hydroxy-4,6b,8a,11,...) Show SMILES C[C@@H]1C[C@@H]2[C@@](C)(CC[C@]3(C)C4=CC=c5c(cc(O)c(O)c5=C)[C@]4(C)CC[C@@]23C)CC1=O |r,c:12,t:10| Show InChI InChI=1S/C28H36O3/c1-16-13-23-25(3,15-21(16)30)9-11-27(5)22-8-7-18-17(2)24(31)20(29)14-19(18)26(22,4)10-12-28(23,27)6/h7-8,14,16,23,29,31H,2,9-13,15H2,1,3-6H3/t16-,23-,25+,26+,27-,28+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Bioscience and Biotechnology Curated by ChEMBL					Assay Description Inhibition of 3C-like protease of SARS coronavirus assessed as concentration of FRET peptide for 60 mins by dixon plot				Bioorg Med Chem Lett 20: 1873-6 (2010) Article DOI: 10.1016/j.bmcl.2010.01.152 BindingDB Entry DOI: 10.7270/Q28P63CF
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM50071058 ((2R,4aS,6aS,12bR,14aS,14bR)-10-Hydroxy-2,4a,6a,9,1...) Show SMILES C[C@]12CC[C@](C)(C[C@H]1[C@]1(C)CC[C@]3(C)C(=CC=c4c3cc(O)c(O)c4=C)[C@@]1(C)CC2)C(O)=O |r,c:15,17| Show InChI InChI=1S/C29H38O4/c1-17-18-7-8-21-27(4,19(18)15-20(30)23(17)31)12-14-29(6)22-16-26(3,24(32)33)10-9-25(22,2)11-13-28(21,29)5/h7-8,15,22,30-31H,1,9-14,16H2,2-6H3,(H,32,33)/t22-,25-,26-,27+,28-,29+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Bioscience and Biotechnology Curated by ChEMBL					Assay Description Inhibition of 3C-like protease of SARS coronavirus assessed as concentration of FRET peptide for 60 mins by dixon plot				Bioorg Med Chem Lett 20: 1873-6 (2010) Article DOI: 10.1016/j.bmcl.2010.01.152 BindingDB Entry DOI: 10.7270/Q28P63CF
					More data for this Ligand-Target Pair
Carboxylic ester hydrolase (Equus caballus (Horse))	BDBM50380201 (CHEMBL2011403) Show SMILES [#6]-[#8]-c1c(-[#8])cc(cc1-[#8])-[#6]-1-[#8]-c2cc(-[#8])c(-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c2-[#6](=O)-[#6@@H]-1-[#8] |r| Show InChI InChI=1S/C26H30O8/c1-13(2)6-5-7-14(3)8-9-16-17(27)12-20-21(22(16)30)23(31)24(32)25(34-20)15-10-18(28)26(33-4)19(29)11-15/h6,8,10-12,24-25,27-30,32H,5,7,9H2,1-4H3/b14-8+/t24-,25?/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Graduate School of Gyeongsang National University Curated by ChEMBL					Assay Description Mixed type inhibition of equine BChE using butyrylthiocholine iodide as substrate by Lineweaver-Burk double-reciprocal-plot and dixon plot analysis				Bioorg Med Chem 20: 2595-602 (2012) Article DOI: 10.1016/j.bmc.2012.02.044 BindingDB Entry DOI: 10.7270/Q22808MC
					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
Sialidase (Clostridium perfringens)	BDBM50214969 (1,3,6-Trihydroxy-7-methoxy-2,8-bis-(3-methyl-but-2...) Show SMILES [#6]-[#8]-c1c(-[#8])cc2oc3cc(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c3c(=O)c2c1-[#6]\[#6]=[#6](\[#6])-[#6] Show InChI InChI=1S/C24H26O6/c1-12(2)6-8-14-16(25)10-19-21(22(14)27)23(28)20-15(9-7-13(3)4)24(29-5)17(26)11-18(20)30-19/h6-7,10-11,25-27H,8-9H2,1-5H3	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	5.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Graduate School of Gyeongsang National University Curated by ChEMBL					Assay Description Competitive inhibition of Clostridium perfringens neuraminidase by fluorometry				Bioorg Med Chem 18: 6258-64 (2010) Article DOI: 10.1016/j.bmc.2010.07.033 BindingDB Entry DOI: 10.7270/Q2BK1CK4
					More data for this Ligand-Target Pair
Sialidase (Clostridium perfringens)	BDBM50311741 (1,6-dihydroxy-7-methoxy-8-(3-methylbut-2-enyl)-6',...) Show SMILES [#6]-[#8]-c1c(-[#8])cc2oc3cc4-[#8]C([#6])([#6])[#6]=[#6]-c4c(-[#8])c3c(=O)c2c1-[#6]\[#6]=[#6](\[#6])-[#6] |c:15| Show InChI InChI=1S/C24H24O6/c1-12(2)6-7-14-19-17(10-15(25)23(14)28-5)29-18-11-16-13(8-9-24(3,4)30-16)21(26)20(18)22(19)27/h6,8-11,25-26H,7H2,1-5H3	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	5.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Graduate School of Gyeongsang National University Curated by ChEMBL					Assay Description Competitive inhibition of Clostridium perfringens neuraminidase by fluorometry				Bioorg Med Chem 18: 6258-64 (2010) Article DOI: 10.1016/j.bmc.2010.07.033 BindingDB Entry DOI: 10.7270/Q2BK1CK4
					More data for this Ligand-Target Pair
Sialidase (Clostridium perfringens)	BDBM50325676 (CHEMBL1224250 | mangostanol) Show SMILES [#6]-[#8]-c1c(-[#8])cc2oc3cc4-[#8]C([#6])([#6])[#6](-[#8])-[#6]-c4c(-[#8])c3c(=O)c2c1-[#6]\[#6]=[#6](\[#6])-[#6] Show InChI InChI=1S/C24H26O7/c1-11(2)6-7-12-19-16(9-14(25)23(12)29-5)30-17-10-15-13(21(27)20(17)22(19)28)8-18(26)24(3,4)31-15/h6,9-10,18,25-27H,7-8H2,1-5H3	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	6.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Graduate School of Gyeongsang National University Curated by ChEMBL					Assay Description Competitive inhibition of Clostridium perfringens neuraminidase by fluorometry				Bioorg Med Chem 18: 6258-64 (2010) Article DOI: 10.1016/j.bmc.2010.07.033 BindingDB Entry DOI: 10.7270/Q2BK1CK4
					More data for this Ligand-Target Pair
Sialidase (Clostridium perfringens)	BDBM50325678 (4,8,10-trihydroxy-9-(3-methylbut-2-enyl)-2-(prop-1...) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])cc2oc3cc(-[#8])c4-[#8]-[#6](-[#6]-c4c3c(=O)c2c1-[#8])-[#6](-[#6])=[#6] Show InChI InChI=1S/C23H22O6/c1-10(2)5-6-12-14(24)8-18-20(21(12)26)22(27)19-13-7-16(11(3)4)29-23(13)15(25)9-17(19)28-18/h5,8-9,16,24-26H,3,6-7H2,1-2,4H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Graduate School of Gyeongsang National University Curated by ChEMBL					Assay Description Competitive inhibition of Clostridium perfringens neuraminidase by fluorometry				Bioorg Med Chem 18: 6258-64 (2010) Article DOI: 10.1016/j.bmc.2010.07.033 BindingDB Entry DOI: 10.7270/Q2BK1CK4
					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
Carboxylic ester hydrolase (Equus caballus (Horse))	BDBM50380204 (CHEMBL2011405 | US10406136, Compound 6) Show SMILES [#6]-[#8]-c1c(-[#8])cc(cc1-[#8])-[#6]-1-[#6]-[#6](=O)-c2c(-[#8])c(-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])cc2-[#8]-1 Show InChI InChI=1S/C26H30O7/c1-14(2)6-5-7-15(3)8-9-17-18(27)12-23-24(25(17)31)19(28)13-22(33-23)16-10-20(29)26(32-4)21(30)11-16/h6,8,10-12,22,27,29-31H,5,7,9,13H2,1-4H3/b15-8+	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Graduate School of Gyeongsang National University Curated by ChEMBL					Assay Description Mixed type inhibition of equine BChE using butyrylthiocholine iodide as substrate by Lineweaver-Burk double-reciprocal-plot and dixon plot analysis				Bioorg Med Chem 20: 2595-602 (2012) Article DOI: 10.1016/j.bmc.2012.02.044 BindingDB Entry DOI: 10.7270/Q22808MC
					More data for this Ligand-Target Pair
Sialidase (Clostridium perfringens)	BDBM50325677 (4,8-dihydroxy-7-methoxy-6-(3-methylbut-2-enyl)-2-(...) Show SMILES [#6]-[#8]-c1c(-[#8])cc2oc3cc4-[#8]-[#6](-[#6]-c4c(-[#8])c3c(=O)c2c1-[#6]\[#6]=[#6](\[#6])-[#6])-[#6](-[#6])=[#6] Show InChI InChI=1S/C24H24O6/c1-11(2)6-7-13-20-18(9-15(25)24(13)28-5)30-19-10-17-14(8-16(29-17)12(3)4)22(26)21(19)23(20)27/h6,9-10,16,25-26H,3,7-8H2,1-2,4-5H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Graduate School of Gyeongsang National University Curated by ChEMBL					Assay Description Competitive inhibition of Clostridium perfringens neuraminidase by fluorometry				Bioorg Med Chem 18: 6258-64 (2010) Article DOI: 10.1016/j.bmc.2010.07.033 BindingDB Entry DOI: 10.7270/Q2BK1CK4
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM50259982 (CHEMBL471187 | US10106521, Compound Eckol | eckol) Show SMILES Oc1cc(O)cc(Oc2c(O)cc(O)c3Oc4cc(O)cc(O)c4Oc23)c1 Show InChI InChI=1S/C18H12O9/c19-7-1-8(20)3-10(2-7)25-16-12(23)6-13(24)17-18(16)27-15-11(22)4-9(21)5-14(15)26-17/h1-6,19-24H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	8.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Bioscience and Biotechnology Curated by ChEMBL					Assay Description Competitive inhibition of C-terminal His6-tagged recombinant SARS coronavirus 3C-like protease trans-cleavage activity expressed in Escherichia coli ...				Bioorg Med Chem 21: 3730-7 (2013) Article DOI: 10.1016/j.bmc.2013.04.026 BindingDB Entry DOI: 10.7270/Q24J0J2W
					More data for this Ligand-Target Pair

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