Compile Data Set for Download or QSAR

Found 35 hits with Last Name = 'tokuraku' and Initial = 'k'   

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
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50276904 (CHEMBL4167402) Show SMILES OCCCCCOC(=O)\C=C\c1ccc(O)c(O)c1 Show InChI InChI=1S/C14H18O5/c15-8-2-1-3-9-19-14(18)7-5-11-4-6-12(16)13(17)10-11/h4-7,10,15-17H,1-3,8-9H2/b7-5+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	8.01E+4	n/a	n/a	n/a	n/a
Muroran Institute of Technology Curated by ChEMBL					Assay Description Inhibition of QD-labeled amyloid beta (1 to 42) (unknown origin) aggregation after 24 hrs by inverted fluorescence microscopic method				Eur J Med Chem 138: 1066-1075 (2017) Article DOI: 10.1016/j.ejmech.2017.07.026 BindingDB Entry DOI: 10.7270/Q23J3GG8
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50242278 (CHEMBL506069 | Geraniin | geraniiin) Show SMILES Oc1cc(cc(O)c1O)C(=O)O[C@@H]1O[C@@H]2COC(=O)c3cc(O)c(O)c(O)c3-c3c(O)c(O)c(O)cc3C(=O)O[C@H]3[C@@H]2OC(=O)C2=CC(=O)[C@]4(O)Oc5c(O)c(O)cc(c5[C@H]2C4(O)O)C(=O)O[C@@H]13 |r,t:49,THB:43:45:61:52.59.51,48:47:61:52.59.51| Show InChI InChI=1S/C41H28O27/c42-13-1-8(2-14(43)24(13)48)34(54)67-39-33-32-30(64-38(58)12-6-19(47)41(61)40(59,60)23(12)22-11(37(57)66-33)5-17(46)27(51)31(22)68-41)18(63-39)7-62-35(55)9-3-15(44)25(49)28(52)20(9)21-10(36(56)65-32)4-16(45)26(50)29(21)53/h1-6,18,23,30,32-33,39,42-46,48-53,59-61H,7H2/t18-,23+,30-,32+,33-,39+,41+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	10	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmc.2022.116840 BindingDB Entry DOI: 10.7270/Q2H70KVX
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50276906 (CHEMBL4166279) Show SMILES COc1ccc(CCOC(=O)CCc2ccccc2)cc1OC Show InChI InChI=1S/C19H22O4/c1-21-17-10-8-16(14-18(17)22-2)12-13-23-19(20)11-9-15-6-4-3-5-7-15/h3-8,10,14H,9,11-13H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	2.74E+5	n/a	n/a	n/a	n/a
Muroran Institute of Technology Curated by ChEMBL					Assay Description Inhibition of QD-labeled amyloid beta (1 to 42) (unknown origin) aggregation after 24 hrs by inverted fluorescence microscopic method				Eur J Med Chem 138: 1066-1075 (2017) Article DOI: 10.1016/j.ejmech.2017.07.026 BindingDB Entry DOI: 10.7270/Q23J3GG8
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50276907 (CHEMBL4165903) Show SMILES CCCCCCC(=O)\C=C\c1ccc(O)c(O)c1 Show InChI InChI=1S/C15H20O3/c1-2-3-4-5-6-13(16)9-7-12-8-10-14(17)15(18)11-12/h7-11,17-18H,2-6H2,1H3/b9-7+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.82E+3	n/a	n/a	n/a	n/a
Muroran Institute of Technology Curated by ChEMBL					Assay Description Inhibition of QD-labeled amyloid beta (1 to 42) (unknown origin) aggregation after 24 hrs by inverted fluorescence microscopic method				Eur J Med Chem 138: 1066-1075 (2017) Article DOI: 10.1016/j.ejmech.2017.07.026 BindingDB Entry DOI: 10.7270/Q23J3GG8
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50276908 (CHEMBL2088769 | Pentyl 3-(3,4-Dihydroxyphenyl)Acry...) Show SMILES CCCCCOC(=O)\C=C\c1ccc(O)c(O)c1 Show InChI InChI=1S/C14H18O4/c1-2-3-4-9-18-14(17)8-6-11-5-7-12(15)13(16)10-11/h5-8,10,15-16H,2-4,9H2,1H3/b8-6+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	2.58E+3	n/a	n/a	n/a	n/a
Muroran Institute of Technology Curated by ChEMBL					Assay Description Inhibition of QD-labeled amyloid beta (1 to 42) (unknown origin) aggregation after 24 hrs by inverted fluorescence microscopic method				Eur J Med Chem 138: 1066-1075 (2017) Article DOI: 10.1016/j.ejmech.2017.07.026 BindingDB Entry DOI: 10.7270/Q23J3GG8
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50276909 (CHEMBL3357165) Show SMILES Oc1ccc(CCOC(=O)CCc2ccc(O)c(O)c2)cc1O Show InChI InChI=1S/C17H18O6/c18-13-4-1-11(9-15(13)20)3-6-17(22)23-8-7-12-2-5-14(19)16(21)10-12/h1-2,4-5,9-10,18-21H,3,6-8H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.49E+4	n/a	n/a	n/a	n/a
Muroran Institute of Technology Curated by ChEMBL					Assay Description Inhibition of QD-labeled amyloid beta (1 to 42) (unknown origin) aggregation after 24 hrs by inverted fluorescence microscopic method				Eur J Med Chem 138: 1066-1075 (2017) Article DOI: 10.1016/j.ejmech.2017.07.026 BindingDB Entry DOI: 10.7270/Q23J3GG8
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50276910 (CHEMBL4164790) Show SMILES COc1ccc(CCOC(=O)\C=C\c2ccc(O)c(O)c2)cc1OC Show InChI InChI=1S/C19H20O6/c1-23-17-7-4-14(12-18(17)24-2)9-10-25-19(22)8-5-13-3-6-15(20)16(21)11-13/h3-8,11-12,20-21H,9-10H2,1-2H3/b8-5+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	3.95E+4	n/a	n/a	n/a	n/a
Muroran Institute of Technology Curated by ChEMBL					Assay Description Inhibition of QD-labeled amyloid beta (1 to 42) (unknown origin) aggregation after 24 hrs by inverted fluorescence microscopic method				Eur J Med Chem 138: 1066-1075 (2017) Article DOI: 10.1016/j.ejmech.2017.07.026 BindingDB Entry DOI: 10.7270/Q23J3GG8
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50133496 ((2R)-3-(3,4-dihydroxyphenyl)-2-[(2E)-3-(3,4-dihydr...) Show SMILES OC(=O)[C@@H](Cc1ccc(O)c(O)c1)OC(=O)\C=C\c1ccc(O)c(O)c1 |r| Show InChI InChI=1S/C18H16O8/c19-12-4-1-10(7-14(12)21)3-6-17(23)26-16(18(24)25)9-11-2-5-13(20)15(22)8-11/h1-8,16,19-22H,9H2,(H,24,25)/b6-3+/t16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	2.03E+4	n/a	n/a	n/a	n/a
Muroran Institute of Technology Curated by ChEMBL					Assay Description Inhibition of QD-labeled amyloid beta (1 to 42) (unknown origin) aggregation after 24 hrs by inverted fluorescence microscopic method				Eur J Med Chem 138: 1066-1075 (2017) Article DOI: 10.1016/j.ejmech.2017.07.026 BindingDB Entry DOI: 10.7270/Q23J3GG8
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50276911 (CHEMBL118111 | Heptyl 1-(3'',4''-Dihydroxyphenyl)P...) Show SMILES CCCCCCCOC(=O)\C=C\c1ccc(O)c(O)c1 Show InChI InChI=1S/C16H22O4/c1-2-3-4-5-6-11-20-16(19)10-8-13-7-9-14(17)15(18)12-13/h7-10,12,17-18H,2-6,11H2,1H3/b10-8+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.04E+4	n/a	n/a	n/a	n/a
Muroran Institute of Technology Curated by ChEMBL					Assay Description Inhibition of QD-labeled amyloid beta (1 to 42) (unknown origin) aggregation after 24 hrs by inverted fluorescence microscopic method				Eur J Med Chem 138: 1066-1075 (2017) Article DOI: 10.1016/j.ejmech.2017.07.026 BindingDB Entry DOI: 10.7270/Q23J3GG8
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50276912 (Butyl 1-(3'',4''-Dihydroxyphenyl)Propenate | Butyl...) Show SMILES CCCCOC(=O)\C=C\c1ccc(O)c(O)c1 Show InChI InChI=1S/C13H16O4/c1-2-3-8-17-13(16)7-5-10-4-6-11(14)12(15)9-10/h4-7,9,14-15H,2-3,8H2,1H3/b7-5+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a
Muroran Institute of Technology Curated by ChEMBL					Assay Description Inhibition of QD-labeled amyloid beta (1 to 42) (unknown origin) aggregation after 24 hrs by inverted fluorescence microscopic method				Eur J Med Chem 138: 1066-1075 (2017) Article DOI: 10.1016/j.ejmech.2017.07.026 BindingDB Entry DOI: 10.7270/Q23J3GG8
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50276913 (CHEMBL17362 | Propyl 3-(3,4-Dihydroxyphenyl)Acryla...) Show SMILES CCCOC(=O)\C=C\c1ccc(O)c(O)c1 Show InChI InChI=1S/C12H14O4/c1-2-7-16-12(15)6-4-9-3-5-10(13)11(14)8-9/h3-6,8,13-14H,2,7H2,1H3/b6-4+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.47E+4	n/a	n/a	n/a	n/a
Muroran Institute of Technology Curated by ChEMBL					Assay Description Inhibition of QD-labeled amyloid beta (1 to 42) (unknown origin) aggregation after 24 hrs by inverted fluorescence microscopic method				Eur J Med Chem 138: 1066-1075 (2017) Article DOI: 10.1016/j.ejmech.2017.07.026 BindingDB Entry DOI: 10.7270/Q23J3GG8
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50276914 (CHEMBL481891) Show SMILES Oc1ccc(\C=C\C(=O)OCC=C)cc1O Show InChI InChI=1S/C12H12O4/c1-2-7-16-12(15)6-4-9-3-5-10(13)11(14)8-9/h2-6,8,13-14H,1,7H2/b6-4+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.32E+4	n/a	n/a	n/a	n/a
Muroran Institute of Technology Curated by ChEMBL					Assay Description Inhibition of QD-labeled amyloid beta (1 to 42) (unknown origin) aggregation after 24 hrs by inverted fluorescence microscopic method				Eur J Med Chem 138: 1066-1075 (2017) Article DOI: 10.1016/j.ejmech.2017.07.026 BindingDB Entry DOI: 10.7270/Q23J3GG8
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50029207 ((E)-3-(3,4-Dihydroxy-phenyl)-acrylic acid phenethy...) Show SMILES Oc1ccc(\C=C\C(=O)OCCc2ccccc2)cc1O Show InChI InChI=1S/C17H16O4/c18-15-8-6-14(12-16(15)19)7-9-17(20)21-11-10-13-4-2-1-3-5-13/h1-9,12,18-19H,10-11H2/b9-7+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	8.41E+3	n/a	n/a	n/a	n/a
Muroran Institute of Technology Curated by ChEMBL					Assay Description Inhibition of QD-labeled amyloid beta (1 to 42) (unknown origin) aggregation after 24 hrs by inverted fluorescence microscopic method				Eur J Med Chem 138: 1066-1075 (2017) Article DOI: 10.1016/j.ejmech.2017.07.026 BindingDB Entry DOI: 10.7270/Q23J3GG8
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50276915 (CHEMBL1088583 | Caffeic Acid 3,4-Dihydroxyphenethy...) Show SMILES Oc1ccc(CCOC(=O)\C=C\c2ccc(O)c(O)c2)cc1O Show InChI InChI=1S/C17H16O6/c18-13-4-1-11(9-15(13)20)3-6-17(22)23-8-7-12-2-5-14(19)16(21)10-12/h1-6,9-10,18-21H,7-8H2/b6-3+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.06E+4	n/a	n/a	n/a	n/a
Muroran Institute of Technology Curated by ChEMBL					Assay Description Inhibition of QD-labeled amyloid beta (1 to 42) (unknown origin) aggregation after 24 hrs by inverted fluorescence microscopic method				Eur J Med Chem 138: 1066-1075 (2017) Article DOI: 10.1016/j.ejmech.2017.07.026 BindingDB Entry DOI: 10.7270/Q23J3GG8
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50276916 (CHEMBL4169299) Show SMILES Oc1ccc(CCOC(=O)\C=C\c2ccccc2)cc1O Show InChI InChI=1S/C17H16O4/c18-15-8-6-14(12-16(15)19)10-11-21-17(20)9-7-13-4-2-1-3-5-13/h1-9,12,18-19H,10-11H2/b9-7+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	7.95E+3	n/a	n/a	n/a	n/a
Muroran Institute of Technology Curated by ChEMBL					Assay Description Inhibition of QD-labeled amyloid beta (1 to 42) (unknown origin) aggregation after 24 hrs by inverted fluorescence microscopic method				Eur J Med Chem 138: 1066-1075 (2017) Article DOI: 10.1016/j.ejmech.2017.07.026 BindingDB Entry DOI: 10.7270/Q23J3GG8
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50362834 (CHEMBL493921) Show SMILES O=C(OCCc1ccccc1)\C=C\c1ccccc1 Show InChI InChI=1S/C17H16O2/c18-17(12-11-15-7-3-1-4-8-15)19-14-13-16-9-5-2-6-10-16/h1-12H,13-14H2/b12-11+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	1.04E+6	n/a	n/a	n/a	n/a
Muroran Institute of Technology Curated by ChEMBL					Assay Description Inhibition of QD-labeled amyloid beta (1 to 42) (unknown origin) aggregation after 24 hrs by inverted fluorescence microscopic method				Eur J Med Chem 138: 1066-1075 (2017) Article DOI: 10.1016/j.ejmech.2017.07.026 BindingDB Entry DOI: 10.7270/Q23J3GG8
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50276917 (CHEMBL4170161) Show SMILES NC(=O)C(Cc1ccc(O)c(O)c1)OC(=O)\C=C\c1ccc(O)c(O)c1 Show InChI InChI=1S/C18H17NO7/c19-18(25)16(9-11-2-5-13(21)15(23)8-11)26-17(24)6-3-10-1-4-12(20)14(22)7-10/h1-8,16,20-23H,9H2,(H2,19,25)/b6-3+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.19E+4	n/a	n/a	n/a	n/a
Muroran Institute of Technology Curated by ChEMBL					Assay Description Inhibition of QD-labeled amyloid beta (1 to 42) (unknown origin) aggregation after 24 hrs by inverted fluorescence microscopic method				Eur J Med Chem 138: 1066-1075 (2017) Article DOI: 10.1016/j.ejmech.2017.07.026 BindingDB Entry DOI: 10.7270/Q23J3GG8
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50276918 (CHEMBL68132) Show SMILES Oc1ccc(CCNC(=O)\C=C\c2ccc(O)c(O)c2)cc1O Show InChI InChI=1S/C17H17NO5/c19-13-4-1-11(9-15(13)21)3-6-17(23)18-8-7-12-2-5-14(20)16(22)10-12/h1-6,9-10,19-22H,7-8H2,(H,18,23)/b6-3+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	6.90E+4	n/a	n/a	n/a	n/a
Muroran Institute of Technology Curated by ChEMBL					Assay Description Inhibition of QD-labeled amyloid beta (1 to 42) (unknown origin) aggregation after 24 hrs by inverted fluorescence microscopic method				Eur J Med Chem 138: 1066-1075 (2017) Article DOI: 10.1016/j.ejmech.2017.07.026 BindingDB Entry DOI: 10.7270/Q23J3GG8
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50276919 (CHEMBL4159496) Show SMILES OCCCCCCOC(=O)\C=C\c1ccc(O)c(O)c1 Show InChI InChI=1S/C15H20O5/c16-9-3-1-2-4-10-20-15(19)8-6-12-5-7-13(17)14(18)11-12/h5-8,11,16-18H,1-4,9-10H2/b8-6+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	5.48E+4	n/a	n/a	n/a	n/a
Muroran Institute of Technology Curated by ChEMBL					Assay Description Inhibition of QD-labeled amyloid beta (1 to 42) (unknown origin) aggregation after 24 hrs by inverted fluorescence microscopic method				Eur J Med Chem 138: 1066-1075 (2017) Article DOI: 10.1016/j.ejmech.2017.07.026 BindingDB Entry DOI: 10.7270/Q23J3GG8
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50276920 (CHEMBL496492 | n-nonyl caffeate) Show SMILES CCCCCCCCCOC(=O)\C=C\c1ccc(O)c(O)c1 Show InChI InChI=1S/C18H26O4/c1-2-3-4-5-6-7-8-13-22-18(21)12-10-15-9-11-16(19)17(20)14-15/h9-12,14,19-20H,2-8,13H2,1H3/b12-10+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	9.52E+3	n/a	n/a	n/a	n/a
Muroran Institute of Technology Curated by ChEMBL					Assay Description Inhibition of QD-labeled amyloid beta (1 to 42) (unknown origin) aggregation after 24 hrs by inverted fluorescence microscopic method				Eur J Med Chem 138: 1066-1075 (2017) Article DOI: 10.1016/j.ejmech.2017.07.026 BindingDB Entry DOI: 10.7270/Q23J3GG8
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50276921 (CHEMBL4162671) Show SMILES CCCCCNC(=O)\C=C\c1ccc(O)c(O)c1 Show InChI InChI=1S/C14H19NO3/c1-2-3-4-9-15-14(18)8-6-11-5-7-12(16)13(17)10-11/h5-8,10,16-17H,2-4,9H2,1H3,(H,15,18)/b8-6+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.14E+4	n/a	n/a	n/a	n/a
Muroran Institute of Technology Curated by ChEMBL					Assay Description Inhibition of QD-labeled amyloid beta (1 to 42) (unknown origin) aggregation after 24 hrs by inverted fluorescence microscopic method				Eur J Med Chem 138: 1066-1075 (2017) Article DOI: 10.1016/j.ejmech.2017.07.026 BindingDB Entry DOI: 10.7270/Q23J3GG8
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50276922 (CHEMBL4176478) Show SMILES Oc1ccc(CCOC(=O)CCc2ccccc2)cc1O Show InChI InChI=1S/C17H18O4/c18-15-8-6-14(12-16(15)19)10-11-21-17(20)9-7-13-4-2-1-3-5-13/h1-6,8,12,18-19H,7,9-11H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	5.93E+3	n/a	n/a	n/a	n/a
Muroran Institute of Technology Curated by ChEMBL					Assay Description Inhibition of QD-labeled amyloid beta (1 to 42) (unknown origin) aggregation after 24 hrs by inverted fluorescence microscopic method				Eur J Med Chem 138: 1066-1075 (2017) Article DOI: 10.1016/j.ejmech.2017.07.026 BindingDB Entry DOI: 10.7270/Q23J3GG8
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50029209 ((E)-3-(3,4-Dihydroxy-phenyl)-acrylic acid methyl e...) Show SMILES COC(=O)\C=C\c1ccc(O)c(O)c1 Show InChI InChI=1S/C10H10O4/c1-14-10(13)5-3-7-2-4-8(11)9(12)6-7/h2-6,11-12H,1H3/b5-3+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	6.77E+4	n/a	n/a	n/a	n/a
Muroran Institute of Technology Curated by ChEMBL					Assay Description Inhibition of QD-labeled amyloid beta (1 to 42) (unknown origin) aggregation after 24 hrs by inverted fluorescence microscopic method				Eur J Med Chem 138: 1066-1075 (2017) Article DOI: 10.1016/j.ejmech.2017.07.026 BindingDB Entry DOI: 10.7270/Q23J3GG8
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM4375 ((2E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid | (2...) Show SMILES OC(=O)\C=C\c1ccc(O)c(O)c1 Show InChI InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+	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	n/a	n/a	2.16E+5	n/a	n/a	n/a	n/a
Muroran Institute of Technology Curated by ChEMBL					Assay Description Inhibition of QD-labeled amyloid beta (1 to 42) (unknown origin) aggregation after 24 hrs by inverted fluorescence microscopic method				Eur J Med Chem 138: 1066-1075 (2017) Article DOI: 10.1016/j.ejmech.2017.07.026 BindingDB Entry DOI: 10.7270/Q23J3GG8
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50276923 (Hexyl 1-(3'',4''-Dihydroxyphenyl)Propenate | Hexyl...) Show SMILES CCCCCCOC(=O)\C=C\c1ccc(O)c(O)c1 Show InChI InChI=1S/C15H20O4/c1-2-3-4-5-10-19-15(18)9-7-12-6-8-13(16)14(17)11-12/h6-9,11,16-17H,2-5,10H2,1H3/b9-7+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	5.13E+3	n/a	n/a	n/a	n/a
Muroran Institute of Technology Curated by ChEMBL					Assay Description Inhibition of QD-labeled amyloid beta (1 to 42) (unknown origin) aggregation after 24 hrs by inverted fluorescence microscopic method				Eur J Med Chem 138: 1066-1075 (2017) Article DOI: 10.1016/j.ejmech.2017.07.026 BindingDB Entry DOI: 10.7270/Q23J3GG8
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50085536 (3,4,5-Trihydroxybenzoate, X | 3,4,5-trihydroxybenz...) Show SMILES OC(=O)c1cc(O)c(O)c(O)c1 Show InChI InChI=1S/C7H6O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,8-10H,(H,11,12)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	3.20	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmc.2022.116840 BindingDB Entry DOI: 10.7270/Q2H70KVX
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM4078 (6,7,13,14-tetrahydroxy-2,9-dioxatetracyclo[6.6.2.0...) Show SMILES Oc1cc2c3c(oc(=O)c4cc(O)c(O)c(oc2=O)c34)c1O Show InChI InChI=1S/C14H6O8/c15-5-1-3-7-8-4(14(20)22-11(7)9(5)17)2-6(16)10(18)12(8)21-13(3)19/h1-2,15-18H	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	n/a	n/a	1.70	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmc.2022.116840 BindingDB Entry DOI: 10.7270/Q2H70KVX
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50595332 (CHEMBL5179584) Show SMILES OC(=O)c1cc(O)c(O)c(O)c1-c1c(O)c(O)c(O)cc1C(O)=O |(2.01,.76,;2.01,-.78,;3.34,-1.55,;.67,-1.55,;.68,-3.09,;-.66,-3.86,;-.66,-5.4,;-2,-3.1,;-3.33,-3.87,;-1.99,-1.55,;-3.33,-.79,;-.66,-.78,;-.66,.76,;-2.01,1.52,;-3.34,.75,;-2.01,3.08,;-3.34,3.85,;-.67,3.85,;-.67,5.4,;.67,3.08,;.67,1.53,;2.16,1.93,;3.24,.84,;2.55,3.42,)| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.90	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmc.2022.116840 BindingDB Entry DOI: 10.7270/Q2H70KVX
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50242279 (6,7,8,11,12,13,22,23-octahydroxy-3,16-dioxo-21-(3,...) Show SMILES O[C@@H]1[C@H]2COC(=O)c3cc(O)c(O)c(O)c3-c3c(O)c(O)c(O)cc3C(=O)O[C@@H]1[C@@H](O)[C@H](OC(=O)c1cc(O)c(O)c(O)c1)O2 |r| Show InChI InChI=1S/C27H22O18/c28-9-1-6(2-10(29)16(9)32)24(39)45-27-22(38)23-19(35)13(43-27)5-42-25(40)7-3-11(30)17(33)20(36)14(7)15-8(26(41)44-23)4-12(31)18(34)21(15)37/h1-4,13,19,22-23,27-38H,5H2/t13-,19-,22-,23+,27+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	3.20	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmc.2022.116840 BindingDB Entry DOI: 10.7270/Q2H70KVX
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50242278 (CHEMBL506069 | Geraniin | geraniiin) Show SMILES Oc1cc(cc(O)c1O)C(=O)O[C@@H]1O[C@@H]2COC(=O)c3cc(O)c(O)c(O)c3-c3c(O)c(O)c(O)cc3C(=O)O[C@H]3[C@@H]2OC(=O)C2=CC(=O)[C@]4(O)Oc5c(O)c(O)cc(c5[C@H]2C4(O)O)C(=O)O[C@@H]13 |r,t:49,THB:43:45:61:52.59.51,48:47:61:52.59.51| Show InChI InChI=1S/C41H28O27/c42-13-1-8(2-14(43)24(13)48)34(54)67-39-33-32-30(64-38(58)12-6-19(47)41(61)40(59,60)23(12)22-11(37(57)66-33)5-17(46)27(51)31(22)68-41)18(63-39)7-62-35(55)9-3-15(44)25(49)28(52)20(9)21-10(36(56)65-32)4-16(45)26(50)29(21)53/h1-6,18,23,30,32-33,39,42-46,48-53,59-61H,7H2/t18-,23+,30-,32+,33-,39+,41+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	6.70	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmc.2022.116840 BindingDB Entry DOI: 10.7270/Q2H70KVX
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50085536 (3,4,5-Trihydroxybenzoate, X | 3,4,5-trihydroxybenz...) Show SMILES OC(=O)c1cc(O)c(O)c(O)c1 Show InChI InChI=1S/C7H6O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,8-10H,(H,11,12)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	1.70	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmc.2022.116840 BindingDB Entry DOI: 10.7270/Q2H70KVX
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM4078 (6,7,13,14-tetrahydroxy-2,9-dioxatetracyclo[6.6.2.0...) Show SMILES Oc1cc2c3c(oc(=O)c4cc(O)c(O)c(oc2=O)c34)c1O Show InChI InChI=1S/C14H6O8/c15-5-1-3-7-8-4(14(20)22-11(7)9(5)17)2-6(16)10(18)12(8)21-13(3)19/h1-2,15-18H	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	n/a	n/a	6	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmc.2022.116840 BindingDB Entry DOI: 10.7270/Q2H70KVX
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50595332 (CHEMBL5179584) Show SMILES OC(=O)c1cc(O)c(O)c(O)c1-c1c(O)c(O)c(O)cc1C(O)=O |(2.01,.76,;2.01,-.78,;3.34,-1.55,;.67,-1.55,;.68,-3.09,;-.66,-3.86,;-.66,-5.4,;-2,-3.1,;-3.33,-3.87,;-1.99,-1.55,;-3.33,-.79,;-.66,-.78,;-.66,.76,;-2.01,1.52,;-3.34,.75,;-2.01,3.08,;-3.34,3.85,;-.67,3.85,;-.67,5.4,;.67,3.08,;.67,1.53,;2.16,1.93,;3.24,.84,;2.55,3.42,)| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	6.70	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmc.2022.116840 BindingDB Entry DOI: 10.7270/Q2H70KVX
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50242279 (6,7,8,11,12,13,22,23-octahydroxy-3,16-dioxo-21-(3,...) Show SMILES O[C@@H]1[C@H]2COC(=O)c3cc(O)c(O)c(O)c3-c3c(O)c(O)c(O)cc3C(=O)O[C@@H]1[C@@H](O)[C@H](OC(=O)c1cc(O)c(O)c(O)c1)O2 |r| Show InChI InChI=1S/C27H22O18/c28-9-1-6(2-10(29)16(9)32)24(39)45-27-22(38)23-19(35)13(43-27)5-42-25(40)7-3-11(30)17(33)20(36)14(7)15-8(26(41)44-23)4-12(31)18(34)21(15)37/h1-4,13,19,22-23,27-38H,5H2/t13-,19-,22-,23+,27+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	8.90	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmc.2022.116840 BindingDB Entry DOI: 10.7270/Q2H70KVX
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50276905 (CHEMBL4162421) Show SMILES O=C(CCc1ccccc1)OCCc1ccccc1 Show InChI InChI=1S/C17H18O2/c18-17(12-11-15-7-3-1-4-8-15)19-14-13-16-9-5-2-6-10-16/h1-10H,11-14H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	n/a	n/a	4.54E+6	n/a	n/a	n/a	n/a
Muroran Institute of Technology Curated by ChEMBL					Assay Description Inhibition of QD-labeled amyloid beta (1 to 42) (unknown origin) aggregation after 24 hrs by inverted fluorescence microscopic method				Eur J Med Chem 138: 1066-1075 (2017) Article DOI: 10.1016/j.ejmech.2017.07.026 BindingDB Entry DOI: 10.7270/Q23J3GG8
					More data for this Ligand-Target Pair