Compile Data Set for Download or QSAR

Found 157 hits with Last Name = 'kim' and Initial = 'eh'   

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
Neuraminidase (Influenza A virus)	BDBM50482873 (CHEBI:70659 | CHEMBL1271362) Show SMILES COc1cc(O)c(C)c(O)c1C(=O)\C=C\c1ccccc1 Show InChI InChI=1S/C17H16O4/c1-11-14(19)10-15(21-2)16(17(11)20)13(18)9-8-12-6-4-3-5-7-12/h3-10,19-20H,1-2H3/b9-8+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chosun University Curated by ChEMBL					Assay Description Inhibition of Influenza A virus (A/California/08/2009(H1N1)) neuraminidase expressed in human 293T cells by Dixon plot analysis				J Nat Prod 73: 1636-42 (2010) Article DOI: 10.1021/np1002753 BindingDB Entry DOI: 10.7270/Q2DZ0C4B
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus)	BDBM50482872 (CHEBI:70655 | CHEMBL1271157) Show SMILES COc1c(C)c(O)c(C)c(O)c1C(=O)\C=C\c1ccc(O)cc1 Show InChI InChI=1S/C18H18O5/c1-10-16(21)11(2)18(23-3)15(17(10)22)14(20)9-6-12-4-7-13(19)8-5-12/h4-9,19,21-22H,1-3H3/b9-6+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.49E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chosun University Curated by ChEMBL					Assay Description Inhibition of Influenza A virus (A/California/08/2009(H1N1)) neuraminidase expressed in human 293T cells by Dixon plot analysis				J Nat Prod 73: 1636-42 (2010) Article DOI: 10.1021/np1002753 BindingDB Entry DOI: 10.7270/Q2DZ0C4B
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus)	BDBM50482871 (CHEBI:66265 | CHEMBL509947) Show SMILES COc1c(C)c(O)c(C)c(O)c1C(=O)\C=C\c1ccccc1O Show InChI InChI=1S/C18H18O5/c1-10-16(21)11(2)18(23-3)15(17(10)22)14(20)9-8-12-6-4-5-7-13(12)19/h4-9,19,21-22H,1-3H3/b9-8+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.41E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chosun University Curated by ChEMBL					Assay Description Inhibition of Influenza A virus (A/California/08/2009(H1N1)) neuraminidase expressed in human 293T cells by Dixon plot analysis				J Nat Prod 73: 1636-42 (2010) Article DOI: 10.1021/np1002753 BindingDB Entry DOI: 10.7270/Q2DZ0C4B
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus)	BDBM50482882 (CHEBI:70658 | CHEMBL463095) Show SMILES COc1c(C)c(O)c(C)c(O)c1C(=O)\C=C\c1ccccc1 Show InChI InChI=1S/C18H18O4/c1-11-16(20)12(2)18(22-3)15(17(11)21)14(19)10-9-13-7-5-4-6-8-13/h4-10,20-21H,1-3H3/b10-9+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.14E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chosun University Curated by ChEMBL					Assay Description Inhibition of Influenza A virus (A/California/08/2009(H1N1)) neuraminidase expressed in human 293T cells by Dixon plot analysis				J Nat Prod 73: 1636-42 (2010) Article DOI: 10.1021/np1002753 BindingDB Entry DOI: 10.7270/Q2DZ0C4B
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50323211 (2,3-dihydro-6-methylginkgetin | CHEMBL1208905) Show SMILES COc1cc2O[C@@H](CC(=O)c2c(O)c1C)c1ccc(OC)c(c1)-c1c(O)cc(O)c2c1oc(cc2=O)-c1ccc(O)cc1 |r,wD:6.16,(21.01,-13.22,;19.68,-13.99,;19.68,-15.53,;21.02,-16.29,;21.03,-17.84,;22.36,-18.61,;22.37,-20.15,;21.02,-20.94,;19.68,-20.16,;18.34,-20.93,;19.68,-18.61,;18.35,-17.84,;17.02,-18.61,;18.35,-16.3,;17.02,-15.53,;23.7,-20.92,;25.03,-20.14,;26.35,-20.91,;26.36,-22.45,;27.7,-23.21,;29.03,-22.44,;25.03,-23.22,;23.7,-22.46,;25.04,-24.75,;23.7,-25.53,;22.37,-24.75,;23.71,-27.06,;25.04,-27.83,;25.03,-29.37,;26.37,-27.05,;26.36,-25.52,;27.68,-24.74,;29.02,-25.5,;29.02,-27.04,;27.7,-27.8,;27.69,-29.34,;30.34,-24.73,;31.68,-25.5,;33.01,-24.72,;33.01,-23.18,;34.34,-22.4,;31.66,-22.42,;30.34,-23.19,)| Show InChI InChI=1S/C33H26O10/c1-15-25(41-3)14-28-31(32(15)39)23(38)13-27(42-28)17-6-9-24(40-2)19(10-17)29-20(35)11-21(36)30-22(37)12-26(43-33(29)30)16-4-7-18(34)8-5-16/h4-12,14,27,34-36,39H,13H2,1-3H3/t27-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	350	n/a	n/a	n/a	n/a	n/a	n/a
Shujitsu University Curated by ChEMBL					Assay Description Inhibition of BACE1 after 60 mins by FRET assay				Bioorg Med Chem Lett 20: 4558-60 (2010) Article DOI: 10.1016/j.bmcl.2010.06.021 BindingDB Entry DOI: 10.7270/Q2GT5P46
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50323210 (2,3-dihydroamentoflavone | CHEMBL220741) Show SMILES Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)c(-c3cc(ccc3O)[C@@H]3CC(=O)c4c(O)cc(O)cc4O3)c2o1 |wD:25.26,(3.82,-20.03,;3.83,-21.57,;5.16,-22.34,;5.17,-23.87,;3.83,-24.64,;2.5,-23.88,;2.49,-22.35,;3.83,-26.18,;5.17,-26.95,;5.17,-28.49,;6.5,-29.26,;3.84,-29.26,;3.85,-30.8,;5.18,-31.56,;2.51,-31.57,;1.18,-30.81,;-.15,-31.58,;1.18,-29.26,;-.15,-28.5,;-1.48,-29.27,;-2.82,-28.5,;-2.83,-26.97,;-1.5,-26.19,;-.16,-26.96,;1.17,-26.18,;-4.15,-29.27,;-4.15,-30.83,;-5.49,-31.6,;-5.49,-33.14,;-6.83,-30.84,;-8.17,-31.6,;-8.17,-33.14,;-9.51,-30.83,;-9.5,-29.29,;-10.84,-28.52,;-8.18,-28.52,;-6.84,-29.28,;-5.5,-28.5,;2.5,-28.49,;2.49,-26.96,)| Show InChI InChI=1S/C30H20O10/c31-15-4-1-13(2-5-15)24-12-23(38)29-21(36)10-20(35)27(30(29)40-24)17-7-14(3-6-18(17)33)25-11-22(37)28-19(34)8-16(32)9-26(28)39-25/h1-10,12,25,31-36H,11H2/t25-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	750	n/a	n/a	n/a	n/a	n/a	n/a
Shujitsu University Curated by ChEMBL					Assay Description Inhibition of BACE1 after 60 mins by FRET assay				Bioorg Med Chem Lett 20: 4558-60 (2010) Article DOI: 10.1016/j.bmcl.2010.06.021 BindingDB Entry DOI: 10.7270/Q2GT5P46
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50323198 (4'''-methylamentoflavone | CHEMBL220745 | podocarp...) Show SMILES COc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)c(-c3cc(ccc3O)-c3cc(O)c4c(cc(O)cc4=O)o3)c2o1 |(9.76,-25.42,;8.22,-25.42,;7.45,-24.09,;8.22,-22.76,;7.45,-21.42,;5.91,-21.42,;5.14,-22.76,;5.91,-24.09,;5.14,-20.09,;5.91,-18.76,;5.14,-17.43,;5.91,-16.09,;3.6,-17.43,;2.83,-16.09,;3.6,-14.76,;1.29,-16.09,;.52,-17.43,;-1.02,-17.43,;1.29,-18.76,;.52,-20.09,;-1.02,-20.09,;-1.79,-21.42,;-1.02,-22.76,;.52,-22.76,;1.29,-21.42,;2.83,-21.42,;-3.33,-21.42,;-4.1,-20.09,;-5.64,-20.09,;-6.41,-18.76,;-6.41,-21.42,;-5.64,-22.76,;-6.41,-24.09,;-7.95,-24.09,;-8.72,-25.42,;-8.72,-22.76,;-7.95,-21.42,;-8.72,-20.09,;-4.1,-22.76,;2.83,-18.76,;3.6,-20.09,)| Show InChI InChI=1S/C31H20O10/c1-39-17-5-2-14(3-6-17)25-13-24(38)30-22(36)11-21(35)28(31(30)41-25)18-8-15(4-7-19(18)33)26-12-23(37)29-20(34)9-16(32)10-27(29)40-26/h2-13,32-33,35-37H,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	990	n/a	n/a	n/a	n/a	n/a	n/a
Shujitsu University Curated by ChEMBL					Assay Description Inhibition of BACE1 after 60 mins by FRET assay				Bioorg Med Chem Lett 20: 4558-60 (2010) Article DOI: 10.1016/j.bmcl.2010.06.021 BindingDB Entry DOI: 10.7270/Q2GT5P46
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50323195 (CHEMBL255493 | sequoiaflavone) Show SMILES COc1cc2oc(cc(O)c2c(=O)c1)-c1ccc(O)c(c1)-c1c(O)cc(O)c2c1oc(cc2=O)-c1ccc(O)cc1 |(-7.9,-15.38,;-6.36,-15.38,;-5.59,-14.05,;-4.05,-14.05,;-3.28,-12.71,;-1.74,-12.71,;-.97,-11.38,;-1.74,-10.05,;-3.28,-10.05,;-4.05,-8.71,;-4.05,-11.38,;-5.59,-11.38,;-6.36,-10.05,;-6.36,-12.71,;.57,-11.38,;1.34,-12.71,;2.88,-12.71,;3.65,-11.38,;5.19,-11.38,;2.88,-10.05,;1.34,-10.05,;3.65,-8.71,;2.88,-7.37,;1.34,-7.37,;3.65,-6.05,;5.19,-6.05,;5.96,-4.71,;5.96,-7.37,;5.19,-8.71,;5.96,-10.05,;7.5,-10.05,;8.28,-8.71,;7.5,-7.37,;8.28,-6.05,;8.28,-11.38,;9.82,-11.38,;10.58,-12.71,;9.82,-14.05,;10.58,-15.38,;8.28,-14.05,;7.5,-12.71,)| Show InChI InChI=1S/C31H20O10/c1-39-17-9-20(34)29-23(37)12-26(40-27(29)10-17)15-4-7-19(33)18(8-15)28-21(35)11-22(36)30-24(38)13-25(41-31(28)30)14-2-5-16(32)6-3-14/h2-13,32-33,35-37H,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shujitsu University Curated by ChEMBL					Assay Description Inhibition of BACE1 after 60 mins by FRET assay				Bioorg Med Chem Lett 20: 4558-60 (2010) Article DOI: 10.1016/j.bmcl.2010.06.021 BindingDB Entry DOI: 10.7270/Q2GT5P46
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50129952 (2-(3-(5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-c...) Show SMILES Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)c(-c3cc(ccc3O)-c3cc(O)c4c(cc(O)cc4=O)o3)c2o1 |(13.25,-26.01,;14.59,-25.24,;14.59,-23.7,;15.92,-22.93,;17.26,-23.7,;17.26,-25.24,;15.93,-26.01,;18.58,-22.93,;19.91,-23.69,;21.23,-22.92,;22.57,-23.69,;21.22,-21.4,;22.56,-20.64,;23.88,-21.41,;22.55,-19.1,;21.22,-18.33,;21.22,-16.79,;19.9,-19.11,;18.57,-18.34,;17.23,-19.1,;15.9,-18.33,;15.9,-16.79,;17.23,-16.02,;18.57,-16.79,;19.91,-16.02,;14.57,-19.09,;14.56,-20.65,;13.21,-21.42,;13.21,-22.96,;11.87,-20.64,;11.88,-19.08,;10.54,-18.32,;9.21,-19.09,;7.87,-18.32,;9.21,-20.64,;10.54,-21.41,;10.54,-22.95,;13.22,-18.3,;19.9,-20.64,;18.58,-21.4,)| Show InChI InChI=1S/C30H18O10/c31-15-4-1-13(2-5-15)24-12-23(38)29-21(36)10-20(35)27(30(29)40-24)17-7-14(3-6-18(17)33)25-11-22(37)28-19(34)8-16(32)9-26(28)39-25/h1-12,31-33,35-37H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.54E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shujitsu University Curated by ChEMBL					Assay Description Inhibition of BACE1 after 60 mins by FRET assay				Bioorg Med Chem Lett 20: 4558-60 (2010) Article DOI: 10.1016/j.bmcl.2010.06.021 BindingDB Entry DOI: 10.7270/Q2GT5P46
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50323197 (7''-O-methylamentoflavone | CHEMBL450522 | sotetsu...) Show SMILES COc1cc(O)c2c(oc(cc2=O)-c2ccc(O)cc2)c1-c1cc(ccc1O)-c1cc(O)c2c(cc(O)cc2=O)o1 |(22.48,-45.72,;23.81,-44.95,;25.14,-45.72,;25.14,-47.26,;26.47,-48.03,;26.47,-49.57,;27.81,-47.26,;27.81,-45.71,;29.14,-44.93,;30.48,-45.71,;30.48,-47.26,;29.14,-48.03,;29.14,-49.57,;31.82,-44.95,;33.14,-45.72,;34.48,-44.95,;34.48,-43.41,;35.82,-42.64,;33.14,-42.64,;31.81,-43.41,;26.47,-44.95,;25.28,-42.99,;23.95,-43.76,;22.62,-42.99,;22.61,-41.46,;23.93,-40.68,;25.28,-41.45,;26.61,-40.67,;21.29,-43.77,;21.29,-45.31,;19.96,-46.09,;19.96,-47.63,;18.62,-45.33,;18.61,-43.78,;17.27,-43.02,;15.95,-43.79,;14.62,-43.02,;15.95,-45.33,;17.28,-46.1,;17.28,-47.64,;19.94,-42.99,)| Show InChI InChI=1S/C31H20O10/c1-39-26-13-23(38)30-22(37)12-24(14-2-5-16(32)6-3-14)41-31(30)28(26)18-8-15(4-7-19(18)34)25-11-21(36)29-20(35)9-17(33)10-27(29)40-25/h2-13,32-34,36,38H,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.58E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shujitsu University Curated by ChEMBL					Assay Description Inhibition of BACE1 after 60 mins by FRET assay				Bioorg Med Chem Lett 20: 4558-60 (2010) Article DOI: 10.1016/j.bmcl.2010.06.021 BindingDB Entry DOI: 10.7270/Q2GT5P46
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50323196 (4'-methylamentoflavone | CHEMBL378188 | bilobetin) Show SMILES COc1ccc(cc1-c1c(O)cc(O)c2c1oc(cc2=O)-c1ccc(O)cc1)-c1cc(O)c2c(cc(O)cc2=O)o1 |(3.27,-31.58,;3.27,-33.11,;1.94,-33.89,;.61,-33.11,;-.73,-33.89,;-.73,-35.42,;.61,-36.2,;1.94,-35.42,;3.27,-36.2,;4.6,-35.42,;4.6,-33.89,;5.93,-36.2,;5.93,-37.73,;7.27,-38.51,;4.6,-38.51,;3.27,-37.73,;1.94,-38.51,;1.94,-40.04,;3.27,-40.81,;4.6,-40.04,;5.93,-40.81,;.61,-40.81,;.61,-42.35,;-.73,-43.12,;-2.06,-42.35,;-3.39,-43.12,;-2.06,-40.81,;-.73,-40.04,;-2.06,-36.2,;-2.06,-37.73,;-3.39,-38.51,;-3.39,-40.04,;-4.73,-37.73,;-4.73,-36.2,;-6.06,-35.42,;-7.39,-36.2,;-8.72,-35.42,;-7.39,-37.73,;-6.06,-38.51,;-6.06,-40.04,;-3.39,-35.42,)| Show InChI InChI=1S/C31H20O10/c1-39-24-7-4-15(26-12-22(37)29-19(34)9-17(33)10-27(29)40-26)8-18(24)28-20(35)11-21(36)30-23(38)13-25(41-31(28)30)14-2-5-16(32)6-3-14/h2-13,32-33,35-37H,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.02E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shujitsu University Curated by ChEMBL					Assay Description Inhibition of BACE1 after 60 mins by FRET assay				Bioorg Med Chem Lett 20: 4558-60 (2010) Article DOI: 10.1016/j.bmcl.2010.06.021 BindingDB Entry DOI: 10.7270/Q2GT5P46
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus)	BDBM50482871 (CHEBI:66265 | CHEMBL509947) Show SMILES COc1c(C)c(O)c(C)c(O)c1C(=O)\C=C\c1ccccc1O Show InChI InChI=1S/C18H18O5/c1-10-16(21)11(2)18(23-3)15(17(10)22)14(20)9-8-12-6-4-5-7-13(12)19/h4-9,19,21-22H,1-3H3/b9-8+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.55E+3	n/a	n/a	n/a	n/a	n/a	n/a
Chosun University Curated by ChEMBL					Assay Description Inhibition of oseltamivir-resistant Influenza A virus (A/California/08/2009(H1N1)) neuraminidase H274Y mutant expressed in human 293T cells after 30 ...				J Nat Prod 73: 1636-42 (2010) Article DOI: 10.1021/np1002753 BindingDB Entry DOI: 10.7270/Q2DZ0C4B
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50323203 (CHEMBL1208903 | isoginkgetin) Show SMILES COc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)c(-c3cc(ccc3OC)-c3cc(O)c4c(cc(O)cc4=O)o3)c2o1 |(43.19,-4.38,;41.85,-3.62,;40.52,-4.4,;40.52,-5.94,;39.19,-6.72,;37.85,-5.95,;37.85,-4.41,;39.17,-3.64,;36.53,-6.73,;36.53,-8.26,;35.21,-9.03,;35.2,-10.57,;33.88,-8.28,;32.54,-9.06,;32.53,-10.6,;31.21,-8.29,;31.2,-6.75,;29.87,-5.98,;32.54,-5.98,;32.54,-4.44,;31.2,-3.68,;31.2,-2.13,;32.53,-1.36,;33.86,-2.12,;33.87,-3.67,;35.21,-4.44,;36.54,-3.66,;29.86,-1.37,;28.52,-2.15,;27.17,-1.37,;25.84,-2.14,;27.18,.17,;28.52,.95,;28.52,2.5,;27.18,3.26,;27.18,4.8,;25.85,2.49,;25.85,.95,;24.51,.18,;29.86,.17,;33.87,-6.74,;35.19,-5.96,)| Show InChI InChI=1S/C32H22O10/c1-39-18-6-3-15(4-7-18)26-14-24(38)31-22(36)12-21(35)29(32(31)42-26)19-9-16(5-8-25(19)40-2)27-13-23(37)30-20(34)10-17(33)11-28(30)41-27/h3-14,33,35-37H,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.01E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shujitsu University Curated by ChEMBL					Assay Description Inhibition of BACE1 after 60 mins by FRET assay				Bioorg Med Chem Lett 20: 4558-60 (2010) Article DOI: 10.1016/j.bmcl.2010.06.021 BindingDB Entry DOI: 10.7270/Q2GT5P46
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus)	BDBM50482872 (CHEBI:70655 | CHEMBL1271157) Show SMILES COc1c(C)c(O)c(C)c(O)c1C(=O)\C=C\c1ccc(O)cc1 Show InChI InChI=1S/C18H18O5/c1-10-16(21)11(2)18(23-3)15(17(10)22)14(20)9-6-12-4-7-13(19)8-5-12/h4-9,19,21-22H,1-3H3/b9-6+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.31E+3	n/a	n/a	n/a	n/a	n/a	n/a
Chosun University Curated by ChEMBL					Assay Description Inhibition of oseltamivir-resistant Influenza A virus (A/California/08/2009(H1N1)) neuraminidase H274Y mutant expressed in human 293T cells after 30 ...				J Nat Prod 73: 1636-42 (2010) Article DOI: 10.1021/np1002753 BindingDB Entry DOI: 10.7270/Q2DZ0C4B
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM15236 (3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chr...) Show SMILES Oc1cc(O)c2c(c1)oc(-c1cc(O)c(O)c(O)c1)c(O)c2=O Show InChI InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	4.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Meiji Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human amyloid beta (1 to 40) assessed as reduction in aggregation measured after 24 hrs by ThT fluorescence assay				Bioorg Med Chem Lett 29: 1994-1997 (2019) Article DOI: 10.1016/j.bmcl.2019.05.020 BindingDB Entry DOI: 10.7270/Q2Q81HGR
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50323199 (5,7-dihydroxy-8-(5-(5-hydroxy-7-methoxy-4-oxo-4H-c...) Show SMILES COc1cc2oc(cc(O)c2c(=O)c1)-c1ccc(OC)c(c1)-c1c(O)cc(O)c2c1oc(cc2=O)-c1ccc(O)cc1 |(-8.64,-2.46,;-8.63,-4,;-7.29,-4.77,;-5.96,-3.99,;-4.63,-4.75,;-3.3,-3.96,;-1.95,-4.73,;-1.94,-6.28,;-3.28,-7.06,;-3.27,-8.6,;-4.61,-6.3,;-5.94,-7.06,;-5.93,-8.6,;-7.27,-6.31,;-.63,-3.95,;-.64,-2.41,;.68,-1.63,;2.03,-2.39,;3.35,-1.62,;3.34,-.08,;2.04,-3.94,;.71,-4.71,;3.37,-4.69,;3.38,-6.24,;2.05,-7.01,;4.72,-7,;6.05,-6.22,;7.39,-6.98,;6.04,-4.68,;4.7,-3.92,;4.68,-2.38,;6.02,-1.6,;7.36,-2.36,;7.36,-3.9,;8.7,-4.67,;6.02,-.06,;7.35,.72,;7.34,2.26,;6,3.02,;5.99,4.56,;4.67,2.23,;4.68,.7,)| Show InChI InChI=1S/C32H22O10/c1-39-18-10-20(34)30-23(37)13-27(41-28(30)11-18)16-5-8-25(40-2)19(9-16)29-21(35)12-22(36)31-24(38)14-26(42-32(29)31)15-3-6-17(33)7-4-15/h3-14,33,35-37H,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.18E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shujitsu University Curated by ChEMBL					Assay Description Inhibition of BACE1 after 60 mins by FRET assay				Bioorg Med Chem Lett 20: 4558-60 (2010) Article DOI: 10.1016/j.bmcl.2010.06.021 BindingDB Entry DOI: 10.7270/Q2GT5P46
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50323201 (CHEMBL144630 | podocarpusflavone B | putraflavone) Show SMILES COc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)c(-c3cc(ccc3O)-c3cc(O)c4c(cc(OC)cc4=O)o3)c2o1 |(24.55,-16.67,;23.22,-17.45,;21.88,-16.69,;21.86,-15.15,;20.52,-14.39,;19.19,-15.18,;19.21,-16.72,;20.55,-17.48,;17.85,-14.43,;17.84,-12.89,;16.5,-12.13,;16.48,-10.59,;15.17,-12.91,;13.83,-12.16,;13.81,-10.61,;12.5,-12.94,;12.52,-14.48,;11.19,-15.26,;13.86,-15.24,;13.88,-16.78,;12.55,-17.56,;12.57,-19.1,;13.91,-19.86,;15.24,-19.07,;15.22,-17.53,;16.54,-16.75,;11.24,-19.88,;9.9,-19.13,;8.57,-19.91,;7.24,-19.16,;8.59,-21.45,;9.93,-22.21,;9.95,-23.75,;8.62,-24.53,;8.64,-26.08,;7.32,-26.86,;7.28,-23.78,;7.26,-22.23,;5.92,-21.48,;11.26,-21.43,;15.19,-14.46,;16.53,-15.21,)| Show InChI InChI=1S/C32H22O10/c1-39-17-6-3-15(4-7-17)26-14-25(38)31-23(36)12-22(35)29(32(31)42-26)19-9-16(5-8-20(19)33)27-13-24(37)30-21(34)10-18(40-2)11-28(30)41-27/h3-14,33,35-37H,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.21E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shujitsu University Curated by ChEMBL					Assay Description Inhibition of BACE1 after 60 mins by FRET assay				Bioorg Med Chem Lett 20: 4558-60 (2010) Article DOI: 10.1016/j.bmcl.2010.06.021 BindingDB Entry DOI: 10.7270/Q2GT5P46
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50323196 (4'-methylamentoflavone | CHEMBL378188 | bilobetin) Show SMILES COc1ccc(cc1-c1c(O)cc(O)c2c1oc(cc2=O)-c1ccc(O)cc1)-c1cc(O)c2c(cc(O)cc2=O)o1 |(3.27,-31.58,;3.27,-33.11,;1.94,-33.89,;.61,-33.11,;-.73,-33.89,;-.73,-35.42,;.61,-36.2,;1.94,-35.42,;3.27,-36.2,;4.6,-35.42,;4.6,-33.89,;5.93,-36.2,;5.93,-37.73,;7.27,-38.51,;4.6,-38.51,;3.27,-37.73,;1.94,-38.51,;1.94,-40.04,;3.27,-40.81,;4.6,-40.04,;5.93,-40.81,;.61,-40.81,;.61,-42.35,;-.73,-43.12,;-2.06,-42.35,;-3.39,-43.12,;-2.06,-40.81,;-.73,-40.04,;-2.06,-36.2,;-2.06,-37.73,;-3.39,-38.51,;-3.39,-40.04,;-4.73,-37.73,;-4.73,-36.2,;-6.06,-35.42,;-7.39,-36.2,;-8.72,-35.42,;-7.39,-37.73,;-6.06,-38.51,;-6.06,-40.04,;-3.39,-35.42,)| Show InChI InChI=1S/C31H20O10/c1-39-24-7-4-15(26-12-22(37)29-19(34)9-17(33)10-27(29)40-26)8-18(24)28-20(35)11-21(36)30-23(38)13-25(41-31(28)30)14-2-5-16(32)6-3-14/h2-13,32-33,35-37H,1H3	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	4.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Meiji Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human amyloid beta (1 to 40) assessed as reduction in aggregation measured after 24 hrs by ThT fluorescence assay				Bioorg Med Chem Lett 29: 1994-1997 (2019) Article DOI: 10.1016/j.bmcl.2019.05.020 BindingDB Entry DOI: 10.7270/Q2Q81HGR
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50129952 (2-(3-(5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-c...) Show SMILES Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)c(-c3cc(ccc3O)-c3cc(O)c4c(cc(O)cc4=O)o3)c2o1 |(13.25,-26.01,;14.59,-25.24,;14.59,-23.7,;15.92,-22.93,;17.26,-23.7,;17.26,-25.24,;15.93,-26.01,;18.58,-22.93,;19.91,-23.69,;21.23,-22.92,;22.57,-23.69,;21.22,-21.4,;22.56,-20.64,;23.88,-21.41,;22.55,-19.1,;21.22,-18.33,;21.22,-16.79,;19.9,-19.11,;18.57,-18.34,;17.23,-19.1,;15.9,-18.33,;15.9,-16.79,;17.23,-16.02,;18.57,-16.79,;19.91,-16.02,;14.57,-19.09,;14.56,-20.65,;13.21,-21.42,;13.21,-22.96,;11.87,-20.64,;11.88,-19.08,;10.54,-18.32,;9.21,-19.09,;7.87,-18.32,;9.21,-20.64,;10.54,-21.41,;10.54,-22.95,;13.22,-18.3,;19.9,-20.64,;18.58,-21.4,)| Show InChI InChI=1S/C30H18O10/c31-15-4-1-13(2-5-15)24-12-23(38)29-21(36)10-20(35)27(30(29)40-24)17-7-14(3-6-18(17)33)25-11-22(37)28-19(34)8-16(32)9-26(28)39-25/h1-12,31-33,35-37H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Meiji Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human amyloid beta (1 to 40) assessed as reduction in aggregation measured after 24 hrs by ThT fluorescence assay				Bioorg Med Chem Lett 29: 1994-1997 (2019) Article DOI: 10.1016/j.bmcl.2019.05.020 BindingDB Entry DOI: 10.7270/Q2Q81HGR
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50323198 (4'''-methylamentoflavone | CHEMBL220745 | podocarp...) Show SMILES COc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)c(-c3cc(ccc3O)-c3cc(O)c4c(cc(O)cc4=O)o3)c2o1 |(9.76,-25.42,;8.22,-25.42,;7.45,-24.09,;8.22,-22.76,;7.45,-21.42,;5.91,-21.42,;5.14,-22.76,;5.91,-24.09,;5.14,-20.09,;5.91,-18.76,;5.14,-17.43,;5.91,-16.09,;3.6,-17.43,;2.83,-16.09,;3.6,-14.76,;1.29,-16.09,;.52,-17.43,;-1.02,-17.43,;1.29,-18.76,;.52,-20.09,;-1.02,-20.09,;-1.79,-21.42,;-1.02,-22.76,;.52,-22.76,;1.29,-21.42,;2.83,-21.42,;-3.33,-21.42,;-4.1,-20.09,;-5.64,-20.09,;-6.41,-18.76,;-6.41,-21.42,;-5.64,-22.76,;-6.41,-24.09,;-7.95,-24.09,;-8.72,-25.42,;-8.72,-22.76,;-7.95,-21.42,;-8.72,-20.09,;-4.1,-22.76,;2.83,-18.76,;3.6,-20.09,)| Show InChI InChI=1S/C31H20O10/c1-39-17-5-2-14(3-6-17)25-13-24(38)30-22(36)11-21(35)28(31(30)41-25)18-8-15(4-7-19(18)33)26-12-23(37)29-20(34)9-16(32)10-27(29)40-26/h2-13,32-33,35-37H,1H3	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	4.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Meiji Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human amyloid beta (1 to 40) assessed as reduction in aggregation measured after 24 hrs by ThT fluorescence assay				Bioorg Med Chem Lett 29: 1994-1997 (2019) Article DOI: 10.1016/j.bmcl.2019.05.020 BindingDB Entry DOI: 10.7270/Q2Q81HGR
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50323195 (CHEMBL255493 | sequoiaflavone) Show SMILES COc1cc2oc(cc(O)c2c(=O)c1)-c1ccc(O)c(c1)-c1c(O)cc(O)c2c1oc(cc2=O)-c1ccc(O)cc1 |(-7.9,-15.38,;-6.36,-15.38,;-5.59,-14.05,;-4.05,-14.05,;-3.28,-12.71,;-1.74,-12.71,;-.97,-11.38,;-1.74,-10.05,;-3.28,-10.05,;-4.05,-8.71,;-4.05,-11.38,;-5.59,-11.38,;-6.36,-10.05,;-6.36,-12.71,;.57,-11.38,;1.34,-12.71,;2.88,-12.71,;3.65,-11.38,;5.19,-11.38,;2.88,-10.05,;1.34,-10.05,;3.65,-8.71,;2.88,-7.37,;1.34,-7.37,;3.65,-6.05,;5.19,-6.05,;5.96,-4.71,;5.96,-7.37,;5.19,-8.71,;5.96,-10.05,;7.5,-10.05,;8.28,-8.71,;7.5,-7.37,;8.28,-6.05,;8.28,-11.38,;9.82,-11.38,;10.58,-12.71,;9.82,-14.05,;10.58,-15.38,;8.28,-14.05,;7.5,-12.71,)| Show InChI InChI=1S/C31H20O10/c1-39-17-9-20(34)29-23(37)12-26(40-27(29)10-17)15-4-7-19(33)18(8-15)28-21(35)11-22(36)30-24(38)13-25(41-31(28)30)14-2-5-16(32)6-3-14/h2-13,32-33,35-37H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Meiji Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human amyloid beta (1 to 40) assessed as reduction in aggregation measured after 24 hrs by ThT fluorescence assay				Bioorg Med Chem Lett 29: 1994-1997 (2019) Article DOI: 10.1016/j.bmcl.2019.05.020 BindingDB Entry DOI: 10.7270/Q2Q81HGR
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus)	BDBM50482882 (CHEBI:70658 | CHEMBL463095) Show SMILES COc1c(C)c(O)c(C)c(O)c1C(=O)\C=C\c1ccccc1 Show InChI InChI=1S/C18H18O4/c1-11-16(20)12(2)18(22-3)15(17(11)21)14(19)10-9-13-7-5-4-6-8-13/h4-10,20-21H,1-3H3/b10-9+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.03E+3	n/a	n/a	n/a	n/a	n/a	n/a
Chosun University Curated by ChEMBL					Assay Description Inhibition of oseltamivir-resistant Influenza A virus (A/California/08/2009(H1N1)) neuraminidase H274Y mutant expressed in human 293T cells after 30 ...				J Nat Prod 73: 1636-42 (2010) Article DOI: 10.1021/np1002753 BindingDB Entry DOI: 10.7270/Q2DZ0C4B
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50323200 (CHEMBL1208793 | amentoflavone-7,7''-dimethyl ether) Show SMILES COc1cc2oc(cc(O)c2c(=O)c1)-c1ccc(O)c(c1)-c1c(OC)cc(O)c2c1oc(cc2=O)-c1ccc(O)cc1 |(19.38,-32.95,;18.04,-33.72,;18.05,-35.26,;19.38,-36.03,;19.39,-37.58,;20.73,-38.35,;20.73,-39.9,;19.38,-40.68,;18.04,-39.9,;16.7,-40.67,;18.04,-38.35,;16.72,-37.58,;15.38,-38.35,;16.72,-36.03,;22.07,-40.66,;23.39,-39.89,;24.73,-40.65,;24.74,-42.2,;26.07,-42.96,;23.4,-42.97,;22.07,-42.2,;23.41,-44.5,;22.07,-45.27,;20.73,-44.5,;19.4,-45.27,;22.07,-46.81,;23.41,-47.58,;23.4,-49.12,;24.75,-46.8,;24.74,-45.26,;26.06,-44.49,;27.39,-45.25,;27.4,-46.79,;26.07,-47.56,;26.06,-49.1,;28.72,-44.47,;30.06,-45.24,;31.39,-44.47,;31.38,-42.92,;32.72,-42.15,;30.04,-42.16,;28.71,-42.94,)| Show InChI InChI=1S/C32H22O10/c1-39-18-10-21(35)30-22(36)12-26(41-28(30)11-18)16-5-8-20(34)19(9-16)29-27(40-2)14-24(38)31-23(37)13-25(42-32(29)31)15-3-6-17(33)7-4-15/h3-14,33-34,36,38H,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.25E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shujitsu University Curated by ChEMBL					Assay Description Inhibition of BACE1 after 60 mins by FRET assay				Bioorg Med Chem Lett 20: 4558-60 (2010) Article DOI: 10.1016/j.bmcl.2010.06.021 BindingDB Entry DOI: 10.7270/Q2GT5P46
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus)	BDBM50482872 (CHEBI:70655 | CHEMBL1271157) Show SMILES COc1c(C)c(O)c(C)c(O)c1C(=O)\C=C\c1ccc(O)cc1 Show InChI InChI=1S/C18H18O5/c1-10-16(21)11(2)18(23-3)15(17(10)22)14(20)9-6-12-4-7-13(19)8-5-12/h4-9,19,21-22H,1-3H3/b9-6+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.15E+3	n/a	n/a	n/a	n/a	n/a	n/a
Chosun University Curated by ChEMBL					Assay Description Inhibition of Influenza A virus (A/California/08/2009(H1N1)) wild type neuraminidase expressed in human 293T cells after 30 mins by spectrofluorimetr...				J Nat Prod 73: 1636-42 (2010) Article DOI: 10.1021/np1002753 BindingDB Entry DOI: 10.7270/Q2DZ0C4B
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50323214 (6-[4-(5,7-Dihydroxy-4-oxo-4H-chromen-2-yl)-phenoxy...) Show SMILES Oc1ccc(cc1)-c1cc(=O)c2c(O)c(Oc3ccc(cc3)-c3cc(O)c4c(cc(O)cc4=O)o3)c(O)cc2o1 Show InChI InChI=1S/C30H18O10/c31-16-5-1-14(2-6-16)24-12-21(35)28-26(40-24)13-22(36)30(29(28)37)38-18-7-3-15(4-8-18)23-11-20(34)27-19(33)9-17(32)10-25(27)39-23/h1-13,31-32,34,36-37H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	9.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Meiji Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human amyloid beta (1 to 40) assessed as reduction in aggregation measured after 24 hrs by ThT fluorescence assay				Bioorg Med Chem Lett 29: 1994-1997 (2019) Article DOI: 10.1016/j.bmcl.2019.05.020 BindingDB Entry DOI: 10.7270/Q2Q81HGR
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus)	BDBM50482871 (CHEBI:66265 | CHEMBL509947) Show SMILES COc1c(C)c(O)c(C)c(O)c1C(=O)\C=C\c1ccccc1O Show InChI InChI=1S/C18H18O5/c1-10-16(21)11(2)18(23-3)15(17(10)22)14(20)9-8-12-6-4-5-7-13(12)19/h4-9,19,21-22H,1-3H3/b9-8+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chosun University Curated by ChEMBL					Assay Description Inhibition of Influenza A virus (A/California/08/2009(H1N1)) wild type neuraminidase expressed in human 293T cells after 30 mins by spectrofluorimetr...				J Nat Prod 73: 1636-42 (2010) Article DOI: 10.1021/np1002753 BindingDB Entry DOI: 10.7270/Q2DZ0C4B
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50323213 (CHEMBL1208973 | cupressuflavone) Show SMILES Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)c(-c3c(O)cc(O)c4c3oc(cc4=O)-c3ccc(O)cc3)c2o1 |(5.18,-39.53,;3.84,-40.3,;3.85,-41.86,;2.51,-42.63,;1.18,-41.86,;1.18,-40.31,;2.51,-39.54,;-.15,-42.62,;-.15,-44.15,;-1.48,-44.92,;-1.48,-46.46,;-2.8,-44.15,;-4.14,-44.93,;-4.14,-46.48,;-5.47,-44.16,;-5.47,-42.62,;-6.8,-41.84,;-4.13,-41.86,;-4.13,-35.97,;-5.46,-35.2,;-6.8,-35.97,;-5.46,-33.67,;-4.13,-32.9,;-4.13,-31.36,;-2.8,-33.65,;-2.79,-35.2,;-1.45,-35.97,;-.11,-35.19,;-.12,-33.64,;-1.46,-32.87,;-1.46,-31.33,;1.21,-35.96,;1.22,-37.5,;2.55,-38.27,;3.88,-37.5,;5.22,-38.27,;3.88,-35.96,;2.55,-35.19,;-2.8,-42.62,;-1.48,-41.85,)| Show InChI InChI=1S/C30H18O10/c31-15-5-1-13(2-6-15)23-11-21(37)25-17(33)9-19(35)27(29(25)39-23)28-20(36)10-18(34)26-22(38)12-24(40-30(26)28)14-3-7-16(32)8-4-14/h1-12,31-36H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Shujitsu University Curated by ChEMBL					Assay Description Inhibition of BACE1 after 60 mins by FRET assay				Bioorg Med Chem Lett 20: 4558-60 (2010) Article DOI: 10.1016/j.bmcl.2010.06.021 BindingDB Entry DOI: 10.7270/Q2GT5P46
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50323208 (CHEMBL453479 | kayaflavone) Show SMILES COc1ccc(cc1)-c1cc(=O)c2c(O)cc(OC)c(-c3cc(ccc3OC)-c3cc(O)c4c(cc(O)cc4=O)o3)c2o1 |(31.87,-8.18,;30.33,-8.18,;29.56,-6.85,;30.33,-5.52,;29.56,-4.18,;28.02,-4.18,;27.25,-5.52,;28.02,-6.85,;27.25,-2.85,;28.02,-1.51,;27.25,-.18,;28.02,1.15,;25.71,-.18,;24.94,1.15,;25.71,2.49,;23.4,1.15,;22.63,-.18,;21.09,-.18,;20.32,1.15,;23.4,-1.51,;22.63,-2.85,;21.09,-2.85,;20.32,-4.18,;21.09,-5.52,;22.63,-5.52,;23.4,-4.18,;24.94,-4.18,;25.71,-5.52,;18.78,-4.18,;18.01,-2.85,;16.47,-2.85,;15.69,-1.51,;15.69,-4.18,;16.47,-5.52,;15.69,-6.85,;14.15,-6.85,;13.39,-8.18,;13.39,-5.52,;14.15,-4.18,;13.39,-2.85,;18.01,-5.52,;24.94,-1.51,;25.71,-2.85,)| Show InChI InChI=1S/C33H24O10/c1-39-19-7-4-16(5-8-19)26-14-23(37)32-24(38)15-28(41-3)30(33(32)43-26)20-10-17(6-9-25(20)40-2)27-13-22(36)31-21(35)11-18(34)12-29(31)42-27/h4-15,34,36,38H,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Shujitsu University Curated by ChEMBL					Assay Description Inhibition of BACE1 after 60 mins by FRET assay				Bioorg Med Chem Lett 20: 4558-60 (2010) Article DOI: 10.1016/j.bmcl.2010.06.021 BindingDB Entry DOI: 10.7270/Q2GT5P46
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50323206 (CHEMBL208908 | sciadopitisin | sciadopitysin) Show SMILES COc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)c(-c3cc(ccc3OC)-c3cc(O)c4c(cc(OC)cc4=O)o3)c2o1 |(10.61,-33.01,;9.27,-32.25,;7.94,-33.02,;7.94,-34.56,;6.61,-35.34,;5.28,-34.57,;5.27,-33.03,;6.6,-32.26,;3.95,-35.34,;3.95,-36.87,;2.63,-37.63,;2.63,-39.17,;1.31,-36.87,;-.03,-37.66,;-.03,-39.2,;-1.36,-36.89,;-1.36,-35.35,;-2.69,-34.58,;-.02,-34.58,;-.02,-33.04,;-1.36,-32.27,;-1.35,-30.73,;-.03,-29.96,;1.31,-30.73,;1.31,-32.27,;2.65,-33.04,;3.98,-32.27,;-2.68,-29.97,;-2.68,-28.42,;-4.03,-27.64,;-4.03,-26.1,;-5.36,-28.42,;-5.36,-29.97,;-6.7,-30.74,;-8.03,-29.97,;-9.37,-30.74,;-10.7,-29.97,;-8.03,-28.42,;-6.7,-27.64,;-6.7,-26.1,;-4.02,-30.74,;1.3,-35.35,;2.62,-34.57,)| Show InChI InChI=1S/C33H24O10/c1-39-18-7-4-16(5-8-18)27-15-25(38)32-23(36)13-22(35)30(33(32)43-27)20-10-17(6-9-26(20)41-3)28-14-24(37)31-21(34)11-19(40-2)12-29(31)42-28/h4-15,35-37H,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Shujitsu University Curated by ChEMBL					Assay Description Inhibition of BACE1 after 60 mins by FRET assay				Bioorg Med Chem Lett 20: 4558-60 (2010) Article DOI: 10.1016/j.bmcl.2010.06.021 BindingDB Entry DOI: 10.7270/Q2GT5P46
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50323209 (7,4',7'',4'''-O-methyl-amentoflavone | CHEMBL37851...) Show SMILES COc1ccc(cc1)-c1cc(=O)c2c(O)cc(OC)c(-c3cc(ccc3OC)-c3cc(O)c4c(cc(OC)cc4=O)o3)c2o1 |(25.11,-22.48,;26.42,-23.29,;26.38,-24.83,;27.68,-25.64,;27.63,-27.18,;26.27,-27.9,;24.97,-27.1,;25.01,-25.56,;26.22,-29.44,;27.54,-30.25,;27.49,-31.81,;28.8,-32.62,;26.13,-32.54,;26.08,-34.07,;27.39,-34.88,;24.72,-34.8,;23.41,-33.99,;22.06,-34.72,;20.75,-33.91,;23.45,-32.45,;22.12,-31.68,;20.79,-32.44,;19.46,-31.66,;19.46,-30.13,;20.79,-29.36,;22.13,-30.14,;23.46,-29.37,;23.46,-27.83,;18.13,-32.43,;18.12,-33.98,;16.78,-34.75,;16.77,-36.29,;15.44,-33.98,;15.44,-32.42,;14.11,-31.66,;12.78,-32.43,;11.44,-31.66,;11.44,-30.12,;12.78,-33.98,;14.11,-34.75,;14.11,-36.28,;16.78,-31.65,;24.8,-31.72,;24.85,-30.17,)| Show InChI InChI=1S/C34H26O10/c1-39-19-8-5-17(6-9-19)27-15-24(37)33-25(38)16-29(42-4)31(34(33)44-27)21-11-18(7-10-26(21)41-3)28-14-23(36)32-22(35)12-20(40-2)13-30(32)43-28/h5-16,36,38H,1-4H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Shujitsu University Curated by ChEMBL					Assay Description Inhibition of BACE1 after 60 mins by FRET assay				Bioorg Med Chem Lett 20: 4558-60 (2010) Article DOI: 10.1016/j.bmcl.2010.06.021 BindingDB Entry DOI: 10.7270/Q2GT5P46
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50323212 (6-[5-(5,7-Dihydroxy-4-oxo-4H-chromen-2-yl)-2-hydro...) Show SMILES Oc1ccc(cc1)-c1cc(=O)c2c(O)c(c(O)cc2o1)-c1cc(ccc1O)-c1cc(O)c2c(cc(O)cc2=O)o1 |(14.56,-27.41,;13.23,-26.63,;11.89,-27.39,;10.56,-26.61,;10.57,-25.07,;11.9,-24.31,;13.23,-25.08,;9.25,-24.3,;7.91,-25.06,;6.59,-24.28,;5.25,-25.04,;6.6,-22.75,;5.27,-21.99,;3.93,-22.76,;5.28,-20.46,;6.6,-19.69,;6.6,-18.15,;7.93,-20.45,;7.93,-21.99,;9.26,-22.76,;3.95,-19.69,;2.61,-20.46,;1.28,-19.68,;1.28,-18.14,;2.61,-17.37,;3.95,-18.15,;5.29,-17.38,;-.06,-20.44,;-.06,-22,;-1.41,-22.77,;-1.41,-24.31,;-2.75,-21.99,;-2.75,-20.44,;-4.08,-19.67,;-5.41,-20.45,;-6.75,-19.67,;-5.42,-21.99,;-4.08,-22.76,;-4.08,-24.3,;-1.41,-19.66,)| Show InChI InChI=1S/C30H18O10/c31-15-4-1-13(2-5-15)23-11-22(37)29-26(39-23)12-20(35)27(30(29)38)17-7-14(3-6-18(17)33)24-10-21(36)28-19(34)8-16(32)9-25(28)40-24/h1-12,31-33,35-36,38H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Shujitsu University Curated by ChEMBL					Assay Description Inhibition of BACE1 after 60 mins by FRET assay				Bioorg Med Chem Lett 20: 4558-60 (2010) Article DOI: 10.1016/j.bmcl.2010.06.021 BindingDB Entry DOI: 10.7270/Q2GT5P46
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50323207 (CHEMBL1208904 | heveaflavone) Show SMILES COc1ccc(cc1)-c1cc(=O)c2c(O)cc(OC)c(-c3cc(ccc3O)-c3cc(O)c4c(cc(OC)cc4=O)o3)c2o1 |(32.66,-38.98,;32.67,-40.52,;31.34,-41.3,;31.35,-42.84,;30.02,-43.62,;28.68,-42.85,;28.67,-41.32,;29.99,-40.54,;27.35,-43.63,;27.36,-45.16,;26.03,-45.93,;26.02,-47.47,;24.7,-45.18,;23.36,-45.96,;23.35,-47.5,;22.03,-45.19,;22.02,-43.65,;20.69,-42.88,;20.69,-41.34,;23.36,-42.88,;23.36,-41.34,;22.02,-40.58,;22.02,-39.03,;23.35,-38.26,;24.68,-39.02,;24.69,-40.57,;26.03,-41.34,;20.69,-38.27,;19.34,-39.05,;17.99,-38.28,;16.66,-39.04,;18,-36.73,;19.34,-35.95,;19.34,-34.4,;18,-33.64,;18,-32.1,;16.66,-31.33,;16.67,-34.41,;16.67,-35.96,;15.33,-36.72,;20.68,-36.73,;24.69,-43.64,;26.01,-42.86,)| Show InChI InChI=1S/C33H24O10/c1-39-18-7-4-16(5-8-18)26-14-24(37)32-25(38)15-28(41-3)30(33(32)43-26)20-10-17(6-9-21(20)34)27-13-23(36)31-22(35)11-19(40-2)12-29(31)42-27/h4-15,34,36,38H,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Shujitsu University Curated by ChEMBL					Assay Description Inhibition of BACE1 after 60 mins by FRET assay				Bioorg Med Chem Lett 20: 4558-60 (2010) Article DOI: 10.1016/j.bmcl.2010.06.021 BindingDB Entry DOI: 10.7270/Q2GT5P46
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50323202 (4',7''-O-methylamentoflavone | 4',7''-di-O-methyl-...) Show SMILES COc1ccc(cc1-c1c(OC)cc(O)c2c1oc(cc2=O)-c1ccc(O)cc1)-c1cc(O)c2c(cc(O)cc2=O)o1 |(3.11,3.19,;1.77,3.96,;.44,3.18,;-.9,3.95,;-2.23,3.17,;-2.22,1.64,;-.88,.87,;.45,1.64,;1.63,-.31,;.31,-1.08,;-1.02,-.31,;-2.35,-1.08,;.31,-2.62,;1.63,-3.39,;1.63,-4.93,;2.97,-2.62,;2.97,-1.07,;4.3,-.3,;5.64,-1.08,;5.64,-2.62,;4.3,-3.39,;4.3,-4.93,;6.98,-.31,;8.3,-1.08,;9.64,-.32,;9.64,1.22,;10.97,1.99,;8.3,1.99,;6.98,1.22,;-3.55,.87,;-3.54,-.68,;-4.87,-1.45,;-4.87,-2.99,;-6.21,-.69,;-6.22,.85,;-7.56,1.62,;-8.88,.85,;-10.21,1.62,;-8.88,-.7,;-7.55,-1.47,;-7.56,-3,;-4.89,1.64,)| Show InChI InChI=1S/C32H22O10/c1-39-24-8-5-16(26-12-21(36)30-20(35)10-18(34)11-28(30)41-26)9-19(24)29-27(40-2)14-23(38)31-22(37)13-25(42-32(29)31)15-3-6-17(33)7-4-15/h3-14,33-34,36,38H,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Shujitsu University Curated by ChEMBL					Assay Description Inhibition of BACE1 after 60 mins by FRET assay				Bioorg Med Chem Lett 20: 4558-60 (2010) Article DOI: 10.1016/j.bmcl.2010.06.021 BindingDB Entry DOI: 10.7270/Q2GT5P46
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50323204 (7'',4'''-dimethylamentoflavone | CHEMBL374055) Show SMILES COc1ccc(cc1)-c1cc(=O)c2c(O)cc(OC)c(-c3cc(ccc3O)-c3cc(O)c4c(cc(O)cc4=O)o3)c2o1 |(6.65,-6.92,;5.32,-7.68,;5.32,-9.22,;6.66,-9.99,;6.66,-11.53,;5.32,-12.3,;3.99,-11.54,;3.99,-10,;5.32,-13.84,;6.66,-14.6,;6.66,-16.14,;7.99,-16.91,;5.33,-16.91,;5.34,-18.45,;6.68,-19.22,;4.01,-19.23,;2.67,-18.46,;1.34,-19.23,;1.34,-20.77,;2.68,-16.92,;1.34,-16.15,;.01,-16.92,;-1.33,-16.15,;-1.33,-14.62,;-.01,-13.84,;1.34,-14.61,;2.67,-13.83,;-2.66,-16.92,;-2.66,-18.48,;-4,-19.26,;-4,-20.8,;-5.34,-18.49,;-5.35,-16.94,;-6.68,-16.17,;-8.01,-16.94,;-9.34,-16.17,;-8.01,-18.49,;-6.68,-19.26,;-6.68,-20.8,;-4.01,-16.15,;4,-16.15,;3.98,-14.61,)| Show InChI InChI=1S/C32H22O10/c1-39-18-6-3-15(4-7-18)25-13-23(37)31-24(38)14-27(40-2)29(32(31)42-25)19-9-16(5-8-20(19)34)26-12-22(36)30-21(35)10-17(33)11-28(30)41-26/h3-14,33-34,36,38H,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Shujitsu University Curated by ChEMBL					Assay Description Inhibition of BACE1 after 60 mins by FRET assay				Bioorg Med Chem Lett 20: 4558-60 (2010) Article DOI: 10.1016/j.bmcl.2010.06.021 BindingDB Entry DOI: 10.7270/Q2GT5P46
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50323214 (6-[4-(5,7-Dihydroxy-4-oxo-4H-chromen-2-yl)-phenoxy...) Show SMILES Oc1ccc(cc1)-c1cc(=O)c2c(O)c(Oc3ccc(cc3)-c3cc(O)c4c(cc(O)cc4=O)o3)c(O)cc2o1 Show InChI InChI=1S/C30H18O10/c31-16-5-1-14(2-6-16)24-12-21(35)28-26(40-24)13-22(36)30(29(28)37)38-18-7-3-15(4-8-18)23-11-20(34)27-19(33)9-17(32)10-25(27)39-23/h1-13,31-32,34,36-37H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Shujitsu University Curated by ChEMBL					Assay Description Inhibition of BACE1 after 60 mins by FRET assay				Bioorg Med Chem Lett 20: 4558-60 (2010) Article DOI: 10.1016/j.bmcl.2010.06.021 BindingDB Entry DOI: 10.7270/Q2GT5P46
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50323205 (7,7'',4'-tri-O-methylamentoflavone | 7-O-methyl-is...) Show SMILES COc1cc2oc(cc(O)c2c(=O)c1)-c1ccc(OC)c(c1)-c1c(OC)cc(O)c2c1oc(cc2=O)-c1ccc(O)cc1 |(12.24,-14.8,;12.24,-16.34,;13.58,-17.11,;14.91,-16.34,;16.24,-17.1,;17.58,-16.32,;18.93,-17.11,;18.92,-18.66,;17.58,-19.43,;17.57,-20.97,;16.24,-18.66,;14.91,-19.42,;14.91,-20.96,;13.58,-18.65,;20.26,-16.34,;20.26,-14.81,;21.59,-14.04,;22.93,-14.82,;24.26,-14.05,;24.26,-12.51,;22.92,-16.36,;21.59,-17.12,;24.25,-17.13,;24.21,-18.66,;22.86,-19.39,;21.55,-18.59,;25.52,-19.48,;26.88,-18.75,;28.19,-19.56,;26.93,-17.21,;25.61,-16.4,;25.65,-14.85,;27.02,-14.11,;28.34,-14.93,;28.29,-16.48,;29.6,-17.3,;27.07,-12.57,;28.43,-11.86,;28.48,-10.32,;27.18,-9.5,;27.22,-7.97,;25.81,-10.24,;25.77,-11.77,)| Show InChI InChI=1S/C33H24O10/c1-39-19-11-21(35)31-22(36)13-27(42-29(31)12-19)17-6-9-25(40-2)20(10-17)30-28(41-3)15-24(38)32-23(37)14-26(43-33(30)32)16-4-7-18(34)8-5-16/h4-15,34,36,38H,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Shujitsu University Curated by ChEMBL					Assay Description Inhibition of BACE1 after 60 mins by FRET assay				Bioorg Med Chem Lett 20: 4558-60 (2010) Article DOI: 10.1016/j.bmcl.2010.06.021 BindingDB Entry DOI: 10.7270/Q2GT5P46
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50323203 (CHEMBL1208903 | isoginkgetin) Show SMILES COc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)c(-c3cc(ccc3OC)-c3cc(O)c4c(cc(O)cc4=O)o3)c2o1 |(43.19,-4.38,;41.85,-3.62,;40.52,-4.4,;40.52,-5.94,;39.19,-6.72,;37.85,-5.95,;37.85,-4.41,;39.17,-3.64,;36.53,-6.73,;36.53,-8.26,;35.21,-9.03,;35.2,-10.57,;33.88,-8.28,;32.54,-9.06,;32.53,-10.6,;31.21,-8.29,;31.2,-6.75,;29.87,-5.98,;32.54,-5.98,;32.54,-4.44,;31.2,-3.68,;31.2,-2.13,;32.53,-1.36,;33.86,-2.12,;33.87,-3.67,;35.21,-4.44,;36.54,-3.66,;29.86,-1.37,;28.52,-2.15,;27.17,-1.37,;25.84,-2.14,;27.18,.17,;28.52,.95,;28.52,2.5,;27.18,3.26,;27.18,4.8,;25.85,2.49,;25.85,.95,;24.51,.18,;29.86,.17,;33.87,-6.74,;35.19,-5.96,)| Show InChI InChI=1S/C32H22O10/c1-39-18-6-3-15(4-7-18)26-14-24(38)31-22(36)12-21(35)29(32(31)42-26)19-9-16(5-8-25(19)40-2)27-13-23(37)30-20(34)10-17(33)11-28(30)41-27/h3-14,33,35-37H,1-2H3	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	1.01E+4	n/a	n/a	n/a	n/a	n/a	n/a
Meiji Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human amyloid beta (1 to 40) assessed as reduction in aggregation measured after 24 hrs by ThT fluorescence assay				Bioorg Med Chem Lett 29: 1994-1997 (2019) Article DOI: 10.1016/j.bmcl.2019.05.020 BindingDB Entry DOI: 10.7270/Q2Q81HGR
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus)	BDBM5025 (Oseltamivir | US10919856, POSITIVE CONTROL | ethyl...) Show SMILES [H][C@@]1(OC(CC)CC)C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)OCC |r,c:8| Show InChI InChI=1S/C16H28N2O4/c1-5-12(6-2)22-14-9-11(16(20)21-7-3)8-13(17)15(14)18-10(4)19/h9,12-15H,5-8,17H2,1-4H3,(H,18,19)/t13-,14+,15+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.03E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chosun University Curated by ChEMBL					Assay Description Inhibition of Influenza A virus (A/chicken/Korea/01310/2001 (H9N2)) neuraminidase after 30 mins by spectrofluorimetric analysis				J Nat Prod 73: 1636-42 (2010) Article DOI: 10.1021/np1002753 BindingDB Entry DOI: 10.7270/Q2DZ0C4B
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus)	BDBM5025 (Oseltamivir | US10919856, POSITIVE CONTROL | ethyl...) Show SMILES [H][C@@]1(OC(CC)CC)C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)OCC |r,c:8| Show InChI InChI=1S/C16H28N2O4/c1-5-12(6-2)22-14-9-11(16(20)21-7-3)8-13(17)15(14)18-10(4)19/h9,12-15H,5-8,17H2,1-4H3,(H,18,19)/t13-,14+,15+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.23E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chosun University Curated by ChEMBL					Assay Description Inhibition of oseltamivir-resistant Influenza A virus (A/California/08/2009(H1N1)) neuraminidase H274Y mutant expressed in human 293T cells after 30 ...				J Nat Prod 73: 1636-42 (2010) Article DOI: 10.1021/np1002753 BindingDB Entry DOI: 10.7270/Q2DZ0C4B
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50522694 (CHEMBL4449738) Show SMILES COc1cc2oc(cc(=O)c2c(O)c1-c1c(O)cc(O)c2c1oc(cc2=O)-c1ccc(O)cc1)-c1ccc(O)cc1 |(6.83,-26.65,;6.84,-28.19,;8.17,-28.96,;9.51,-28.2,;10.84,-28.96,;12.17,-28.19,;13.51,-28.97,;13.51,-30.5,;12.18,-31.28,;12.18,-32.82,;10.83,-30.5,;9.51,-31.27,;9.51,-32.81,;8.18,-30.51,;6.85,-31.29,;5.51,-30.52,;5.51,-28.97,;4.18,-31.29,;4.18,-32.83,;2.85,-33.61,;5.53,-33.59,;6.86,-32.82,;8.19,-33.58,;8.2,-35.11,;6.87,-35.89,;5.53,-35.13,;4.2,-35.9,;9.54,-35.86,;9.55,-37.4,;10.89,-38.16,;12.22,-37.38,;13.56,-38.14,;12.2,-35.83,;10.86,-35.08,;14.84,-28.2,;14.84,-26.66,;16.18,-25.89,;17.51,-26.65,;18.84,-25.88,;17.51,-28.19,;16.17,-28.97,)| Show InChI InChI=1S/C31H20O10/c1-39-24-13-25-27(21(37)12-22(40-25)14-2-6-16(32)7-3-14)30(38)29(24)28-19(35)10-18(34)26-20(36)11-23(41-31(26)28)15-4-8-17(33)9-5-15/h2-13,32-35,38H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Meiji Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human amyloid beta (1 to 40) assessed as reduction in aggregation measured after 24 hrs by ThT fluorescence assay				Bioorg Med Chem Lett 29: 1994-1997 (2019) Article DOI: 10.1016/j.bmcl.2019.05.020 BindingDB Entry DOI: 10.7270/Q2Q81HGR
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50323199 (5,7-dihydroxy-8-(5-(5-hydroxy-7-methoxy-4-oxo-4H-c...) Show SMILES COc1cc2oc(cc(O)c2c(=O)c1)-c1ccc(OC)c(c1)-c1c(O)cc(O)c2c1oc(cc2=O)-c1ccc(O)cc1 |(-8.64,-2.46,;-8.63,-4,;-7.29,-4.77,;-5.96,-3.99,;-4.63,-4.75,;-3.3,-3.96,;-1.95,-4.73,;-1.94,-6.28,;-3.28,-7.06,;-3.27,-8.6,;-4.61,-6.3,;-5.94,-7.06,;-5.93,-8.6,;-7.27,-6.31,;-.63,-3.95,;-.64,-2.41,;.68,-1.63,;2.03,-2.39,;3.35,-1.62,;3.34,-.08,;2.04,-3.94,;.71,-4.71,;3.37,-4.69,;3.38,-6.24,;2.05,-7.01,;4.72,-7,;6.05,-6.22,;7.39,-6.98,;6.04,-4.68,;4.7,-3.92,;4.68,-2.38,;6.02,-1.6,;7.36,-2.36,;7.36,-3.9,;8.7,-4.67,;6.02,-.06,;7.35,.72,;7.34,2.26,;6,3.02,;5.99,4.56,;4.67,2.23,;4.68,.7,)| Show InChI InChI=1S/C32H22O10/c1-39-18-10-20(34)30-23(37)13-27(41-28(30)11-18)16-5-8-25(40-2)19(9-16)29-21(35)12-22(36)31-24(38)14-26(42-32(29)31)15-3-6-17(33)7-4-15/h3-14,33,35-37H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.32E+4	n/a	n/a	n/a	n/a	n/a	n/a
Meiji Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human amyloid beta (1 to 40) assessed as reduction in aggregation measured after 24 hrs by ThT fluorescence assay				Bioorg Med Chem Lett 29: 1994-1997 (2019) Article DOI: 10.1016/j.bmcl.2019.05.020 BindingDB Entry DOI: 10.7270/Q2Q81HGR
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50522701 (CHEMBL4554693) Show SMILES COc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)c(-c3c(OC)cc4oc(cc(=O)c4c3O)-c3ccc(O)cc3)c2o1 |(61.85,-38.01,;60.52,-38.79,;59.18,-38.04,;57.85,-38.82,;56.51,-38.06,;56.5,-36.51,;57.82,-35.73,;59.16,-36.49,;55.16,-35.76,;53.83,-36.54,;52.5,-35.78,;51.17,-36.56,;52.49,-34.25,;51.15,-33.49,;49.82,-34.27,;51.14,-31.94,;52.48,-31.17,;52.47,-29.63,;53.81,-31.94,;55.14,-31.16,;55.14,-29.62,;53.8,-28.85,;53.8,-27.31,;56.47,-28.85,;57.8,-29.62,;59.14,-28.85,;60.47,-29.62,;60.47,-31.16,;59.14,-31.93,;59.15,-33.47,;57.8,-31.16,;56.47,-31.93,;56.48,-33.47,;61.8,-28.85,;61.8,-27.31,;63.14,-26.54,;64.47,-27.31,;65.81,-26.53,;64.48,-28.84,;63.14,-29.62,;53.82,-33.48,;55.15,-34.23,)| Show InChI InChI=1S/C32H22O10/c1-39-18-9-5-16(6-10-18)24-12-21(36)27-19(34)11-20(35)29(32(27)42-24)30-25(40-2)14-26-28(31(30)38)22(37)13-23(41-26)15-3-7-17(33)8-4-15/h3-14,33-35,38H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.59E+4	n/a	n/a	n/a	n/a	n/a	n/a
Meiji Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human amyloid beta (1 to 40) assessed as reduction in aggregation measured after 24 hrs by ThT fluorescence assay				Bioorg Med Chem Lett 29: 1994-1997 (2019) Article DOI: 10.1016/j.bmcl.2019.05.020 BindingDB Entry DOI: 10.7270/Q2Q81HGR
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50522697 (CHEMBL4463033) Show SMILES COc1cc(O)c2c(oc(cc2=O)-c2ccc(O)cc2)c1-c1c(OC)cc(O)c2c1oc(cc2=O)-c1ccc(O)cc1 |(7.27,-53.2,;8.61,-52.43,;9.94,-53.2,;9.94,-54.74,;11.28,-55.51,;11.29,-57.05,;12.61,-54.73,;12.61,-53.2,;13.93,-52.43,;15.26,-53.2,;15.25,-54.73,;13.93,-55.49,;13.92,-57.03,;16.59,-52.44,;17.92,-53.21,;19.26,-52.45,;19.26,-50.91,;20.6,-50.14,;17.92,-50.13,;16.59,-50.9,;11.28,-52.43,;11.28,-50.89,;12.62,-50.12,;13.95,-50.89,;15.29,-50.12,;12.61,-48.57,;11.28,-47.81,;11.27,-46.26,;9.95,-48.58,;9.94,-50.12,;8.61,-50.89,;7.27,-50.11,;7.28,-48.56,;8.62,-47.8,;8.63,-46.26,;5.93,-50.87,;4.61,-50.09,;3.27,-50.85,;3.26,-52.39,;1.92,-53.16,;4.6,-53.17,;5.93,-52.41,)| Show InChI InChI=1S/C32H22O10/c1-39-25-13-21(37)27-19(35)11-23(15-3-7-17(33)8-4-15)41-31(27)29(25)30-26(40-2)14-22(38)28-20(36)12-24(42-32(28)30)16-5-9-18(34)10-6-16/h3-14,33-34,37-38H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.73E+4	n/a	n/a	n/a	n/a	n/a	n/a
Meiji Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human amyloid beta (1 to 40) assessed as reduction in aggregation measured after 24 hrs by ThT fluorescence assay				Bioorg Med Chem Lett 29: 1994-1997 (2019) Article DOI: 10.1016/j.bmcl.2019.05.020 BindingDB Entry DOI: 10.7270/Q2Q81HGR
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus)	BDBM50482872 (CHEBI:70655 | CHEMBL1271157) Show SMILES COc1c(C)c(O)c(C)c(O)c1C(=O)\C=C\c1ccc(O)cc1 Show InChI InChI=1S/C18H18O5/c1-10-16(21)11(2)18(23-3)15(17(10)22)14(20)9-6-12-4-7-13(19)8-5-12/h4-9,19,21-22H,1-3H3/b9-6+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.86E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chosun University Curated by ChEMBL					Assay Description Inhibition of Influenza A virus (A/chicken/Korea/01310/2001 (H9N2)) neuraminidase after 30 mins by spectrofluorimetric analysis				J Nat Prod 73: 1636-42 (2010) Article DOI: 10.1021/np1002753 BindingDB Entry DOI: 10.7270/Q2DZ0C4B
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50323204 (7'',4'''-dimethylamentoflavone | CHEMBL374055) Show SMILES COc1ccc(cc1)-c1cc(=O)c2c(O)cc(OC)c(-c3cc(ccc3O)-c3cc(O)c4c(cc(O)cc4=O)o3)c2o1 |(6.65,-6.92,;5.32,-7.68,;5.32,-9.22,;6.66,-9.99,;6.66,-11.53,;5.32,-12.3,;3.99,-11.54,;3.99,-10,;5.32,-13.84,;6.66,-14.6,;6.66,-16.14,;7.99,-16.91,;5.33,-16.91,;5.34,-18.45,;6.68,-19.22,;4.01,-19.23,;2.67,-18.46,;1.34,-19.23,;1.34,-20.77,;2.68,-16.92,;1.34,-16.15,;.01,-16.92,;-1.33,-16.15,;-1.33,-14.62,;-.01,-13.84,;1.34,-14.61,;2.67,-13.83,;-2.66,-16.92,;-2.66,-18.48,;-4,-19.26,;-4,-20.8,;-5.34,-18.49,;-5.35,-16.94,;-6.68,-16.17,;-8.01,-16.94,;-9.34,-16.17,;-8.01,-18.49,;-6.68,-19.26,;-6.68,-20.8,;-4.01,-16.15,;4,-16.15,;3.98,-14.61,)| Show InChI InChI=1S/C32H22O10/c1-39-18-6-3-15(4-7-18)25-13-23(37)31-24(38)14-27(40-2)29(32(31)42-25)19-9-16(5-8-20(19)34)26-12-22(36)30-21(35)10-17(33)11-28(30)41-26/h3-14,33-34,36,38H,1-2H3	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	2.01E+4	n/a	n/a	n/a	n/a	n/a	n/a
Meiji Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human amyloid beta (1 to 40) assessed as reduction in aggregation measured after 24 hrs by ThT fluorescence assay				Bioorg Med Chem Lett 29: 1994-1997 (2019) Article DOI: 10.1016/j.bmcl.2019.05.020 BindingDB Entry DOI: 10.7270/Q2Q81HGR
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus)	BDBM50482872 (CHEBI:70655 | CHEMBL1271157) Show SMILES COc1c(C)c(O)c(C)c(O)c1C(=O)\C=C\c1ccc(O)cc1 Show InChI InChI=1S/C18H18O5/c1-10-16(21)11(2)18(23-3)15(17(10)22)14(20)9-6-12-4-7-13(19)8-5-12/h4-9,19,21-22H,1-3H3/b9-6+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.05E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chosun University Curated by ChEMBL					Assay Description Inhibition of Influenza A virus (A/Sw/Kor/CAH1/04 (H1N1) KCTC 11165BP neuraminidase after 30 mins by spectrofluorimetric analysis				J Nat Prod 73: 1636-42 (2010) Article DOI: 10.1021/np1002753 BindingDB Entry DOI: 10.7270/Q2DZ0C4B
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50522699 (CHEMBL3589107) Show SMILES COc1cc2oc(cc(=O)c2c(O)c1-c1cc(ccc1O)-c1cc(=O)c2c(O)cc(O)cc2o1)-c1ccc(O)cc1 |(4,2.78,;4,1.54,;2.67,.77,;1.33,1.54,;,.77,;-1.33,1.54,;-2.68,.77,;-2.68,-.77,;-1.33,-1.54,;-1.33,-2.77,;,-.77,;1.33,-1.54,;1.33,-2.77,;2.67,-.77,;4,-1.54,;5.34,-.77,;6.67,-1.54,;6.68,-3.08,;5.34,-3.85,;4.01,-3.08,;2.94,-3.7,;8.01,-.76,;9.34,-1.53,;10.68,-.75,;11.76,-1.36,;10.68,.79,;12.02,1.56,;13.08,.95,;12.01,3.1,;10.68,3.87,;10.68,5.11,;9.35,3.1,;9.35,1.56,;8.02,.79,;-4.02,1.55,;-5.36,.78,;-6.69,1.56,;-6.68,3.11,;-7.74,3.73,;-5.34,3.87,;-4.01,3.09,)| Show InChI InChI=1S/C31H20O10/c1-39-25-13-27-30(22(37)12-23(40-27)14-2-5-16(32)6-3-14)31(38)28(25)18-8-15(4-7-19(18)34)24-11-21(36)29-20(35)9-17(33)10-26(29)41-24/h2-13,32-35,38H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.13E+4	n/a	n/a	n/a	n/a	n/a	n/a
Meiji Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human amyloid beta (1 to 40) assessed as reduction in aggregation measured after 24 hrs by ThT fluorescence assay				Bioorg Med Chem Lett 29: 1994-1997 (2019) Article DOI: 10.1016/j.bmcl.2019.05.020 BindingDB Entry DOI: 10.7270/Q2Q81HGR
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus)	BDBM50482882 (CHEBI:70658 | CHEMBL463095) Show SMILES COc1c(C)c(O)c(C)c(O)c1C(=O)\C=C\c1ccccc1 Show InChI InChI=1S/C18H18O4/c1-11-16(20)12(2)18(22-3)15(17(11)21)14(19)10-9-13-7-5-4-6-8-13/h4-10,20-21H,1-3H3/b10-9+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.17E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chosun University Curated by ChEMBL					Assay Description Inhibition of Influenza A virus (A/chicken/Korea/01310/2001 (H9N2)) neuraminidase after 30 mins by spectrofluorimetric analysis				J Nat Prod 73: 1636-42 (2010) Article DOI: 10.1021/np1002753 BindingDB Entry DOI: 10.7270/Q2DZ0C4B
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus)	BDBM50482871 (CHEBI:66265 | CHEMBL509947) Show SMILES COc1c(C)c(O)c(C)c(O)c1C(=O)\C=C\c1ccccc1O Show InChI InChI=1S/C18H18O5/c1-10-16(21)11(2)18(23-3)15(17(10)22)14(20)9-8-12-6-4-5-7-13(12)19/h4-9,19,21-22H,1-3H3/b9-8+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.31E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chosun University Curated by ChEMBL					Assay Description Inhibition of Influenza A virus (A/chicken/Korea/01310/2001 (H9N2)) neuraminidase after 30 mins by spectrofluorimetric analysis				J Nat Prod 73: 1636-42 (2010) Article DOI: 10.1021/np1002753 BindingDB Entry DOI: 10.7270/Q2DZ0C4B
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus)	BDBM50482873 (CHEBI:70659 | CHEMBL1271362) Show SMILES COc1cc(O)c(C)c(O)c1C(=O)\C=C\c1ccccc1 Show InChI InChI=1S/C17H16O4/c1-11-14(19)10-15(21-2)16(17(11)20)13(18)9-8-12-6-4-3-5-7-12/h3-10,19-20H,1-2H3/b9-8+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chosun University Curated by ChEMBL					Assay Description Inhibition of oseltamivir-resistant Influenza A virus (A/California/08/2009(H1N1)) neuraminidase H274Y mutant expressed in human 293T cells after 30 ...				J Nat Prod 73: 1636-42 (2010) Article DOI: 10.1021/np1002753 BindingDB Entry DOI: 10.7270/Q2DZ0C4B
					More data for this Ligand-Target Pair

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