Found 29 hits Enz. Inhib. hit(s) with all data for entry = 50008821 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)) | 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 | |
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 | |
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 | |
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 | |
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 | |
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 | |
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 | |
Amyloid-beta precursor protein
(Homo sapiens (Human)) | BDBM50522703
(CHEMBL4545404)Show SMILES COc1cc(O)c2c(oc(cc2=O)-c2ccc(O)cc2)c1-c1c(OC)cc2oc(cc(=O)c2c1O)-c1ccc(O)cc1 |(26.34,-28.74,;27.68,-29.5,;27.68,-31.05,;26.35,-31.82,;26.35,-33.36,;25.02,-34.14,;27.7,-34.12,;29.03,-33.35,;30.36,-34.11,;30.37,-35.64,;29.04,-36.42,;27.71,-35.66,;26.37,-36.43,;31.71,-36.39,;31.72,-37.93,;33.06,-38.69,;34.39,-37.91,;35.73,-38.67,;34.37,-36.36,;33.03,-35.61,;29.02,-31.82,;30.35,-31.04,;30.34,-29.49,;29.01,-28.72,;29,-27.18,;31.68,-28.72,;33.01,-29.49,;34.34,-28.72,;35.68,-29.5,;35.68,-31.03,;34.35,-31.81,;34.35,-33.35,;33,-31.03,;31.68,-31.8,;31.68,-33.34,;37.01,-28.73,;37.01,-27.18,;38.35,-26.42,;39.68,-27.18,;41.01,-26.41,;39.68,-28.72,;38.34,-29.5,)| Show InChI InChI=1S/C32H22O10/c1-39-24-13-20(36)27-19(35)11-23(16-5-9-18(34)10-6-16)42-32(27)30(24)29-25(40-2)14-26-28(31(29)38)21(37)12-22(41-26)15-3-7-17(33)8-4-15/h3-14,33-34,36,38H,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 | 3.28E+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)) | BDBM50522696
(CHEMBL4513568)Show SMILES COc1ccc(cc1)-c1cc(=O)c2c(O)cc(OC)c(-c3c(OC)cc(O)c4c3oc(cc4=O)-c3ccc(O)cc3)c2o1 |(45.2,-51.19,;43.87,-50.42,;42.53,-51.19,;42.53,-52.73,;41.19,-53.5,;39.86,-52.72,;39.86,-51.18,;41.19,-50.41,;38.53,-53.48,;38.52,-55.01,;37.2,-55.77,;37.19,-57.31,;35.88,-55.01,;34.55,-55.79,;34.56,-57.34,;33.21,-55.02,;33.21,-53.48,;31.88,-52.71,;30.54,-53.48,;34.55,-52.71,;34.55,-51.18,;35.89,-50.4,;37.22,-51.17,;38.56,-50.4,;35.88,-48.85,;34.55,-48.09,;34.54,-46.55,;33.22,-48.86,;33.21,-50.4,;31.88,-51.17,;30.54,-50.39,;30.55,-48.84,;31.89,-48.08,;31.9,-46.54,;29.2,-51.15,;27.88,-50.37,;26.54,-51.13,;26.53,-52.68,;25.19,-53.44,;27.87,-53.45,;29.2,-52.69,;35.88,-53.48,;37.2,-52.71,)| Show InChI InChI=1S/C33H24O10/c1-39-19-10-6-17(7-11-19)25-13-21(36)29-23(38)15-27(41-3)31(33(29)43-25)30-26(40-2)14-22(37)28-20(35)12-24(42-32(28)30)16-4-8-18(34)9-5-16/h4-15,34,37-38H,1-3H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4.56E+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)) | BDBM50522704
(CHEMBL4522982)Show SMILES COc1ccc(cc1)-c1cc(=O)c2c(O)c(Oc3ccc(cc3)-c3cc(=O)c4c(O)cc(O)cc4o3)c(OC)cc2o1 Show InChI InChI=1S/C32H22O10/c1-38-19-7-3-16(4-8-19)25-14-23(36)30-27(42-25)15-28(39-2)32(31(30)37)40-20-9-5-17(6-10-20)24-13-22(35)29-21(34)11-18(33)12-26(29)41-24/h3-15,33-34,37H,1-2H3 | 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 | >5.00E+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)) | 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
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >5.00E+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)) | 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
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >5.00E+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)) | BDBM50522702
(CHEMBL3589108)Show SMILES COc1cc2oc(cc(=O)c2c(O)c1Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)cc2o1)-c1ccc(O)cc1 Show InChI InChI=1S/C31H20O10/c1-38-27-14-26-29(22(36)13-24(41-26)15-2-6-17(32)7-3-15)30(37)31(27)39-19-8-4-16(5-9-19)23-12-21(35)28-20(34)10-18(33)11-25(28)40-23/h2-14,32-34,37H,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >5.00E+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)) | 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
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >5.00E+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)) | BDBM50522700
(CHEMBL3589106)Show SMILES COc1ccc(cc1)-c1cc(=O)c2c(O)cc(OC)c(-c3c(OC)cc(O)c4c3oc(cc4=O)-c3ccc(OC)cc3)c2o1 |(-8,5.12,;-8.01,3.89,;-6.68,3.1,;-6.69,1.56,;-5.36,.78,;-4.02,1.54,;-4.01,3.09,;-5.34,3.87,;-2.68,.77,;-2.68,-.77,;-1.33,-1.54,;-1.33,-2.77,;,-.77,;1.33,-1.54,;1.33,-2.77,;2.66,-.77,;2.66,.77,;4,1.54,;5.07,.92,;1.33,1.54,;1.33,3.08,;-0,3.85,;-1.34,3.08,;-2.41,3.69,;-0,5.39,;1.33,6.16,;1.33,7.39,;2.66,5.39,;2.66,3.85,;4,3.09,;5.35,3.86,;5.34,5.4,;3.99,6.16,;3.99,7.4,;6.68,3.08,;8.02,3.85,;9.35,3.07,;9.34,1.53,;10.67,.75,;10.67,-.48,;8,.77,;6.67,1.54,;,.77,;-1.33,1.54,)| Show InChI InChI=1S/C34H26O10/c1-39-19-9-5-17(6-10-19)25-13-21(35)29-23(37)15-27(41-3)31(33(29)43-25)32-28(42-4)16-24(38)30-22(36)14-26(44-34(30)32)18-7-11-20(40-2)12-8-18/h5-16,37-38H,1-4H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >5.00E+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)) | BDBM7458
(5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one...)Show InChI InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H | 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 | >5.00E+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)) | 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
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >5.00E+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)) | 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
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 | >5.00E+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)) | 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
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >5.00E+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)) | BDBM50457775
(CHEMBL451902 | Robustaflavone-4''-Methyl Ether)Show SMILES COc1ccc(cc1-c1c(O)cc2oc(cc(=O)c2c1O)-c1ccc(O)cc1)-c1cc(=O)c2c(O)cc(O)cc2o1 |(4.11,6.46,;4.1,4.92,;2.77,4.15,;1.43,4.92,;.1,4.16,;.1,2.62,;1.43,1.85,;2.77,2.61,;4.09,1.84,;4.09,.3,;2.75,-.46,;5.42,-.47,;6.75,.29,;8.08,-.49,;9.43,.28,;9.44,1.83,;8.09,2.62,;8.1,4.16,;6.75,1.84,;5.42,2.61,;5.44,4.15,;10.76,-.5,;10.74,-2.04,;12.07,-2.81,;13.41,-2.05,;14.74,-2.83,;13.41,-.5,;12.09,.26,;-1.23,1.86,;-1.23,.31,;-2.58,-.46,;-2.59,-2,;-3.92,.31,;-5.25,-.46,;-5.25,-2,;-6.58,.31,;-6.58,1.86,;-7.91,2.63,;-5.25,2.63,;-3.92,1.86,;-2.58,2.64,)| Show InChI InChI=1S/C31H20O10/c1-39-23-7-4-15(25-11-21(36)29-19(34)9-17(33)10-26(29)41-25)8-18(23)28-20(35)13-27-30(31(28)38)22(37)12-24(40-27)14-2-5-16(32)6-3-14/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 | >5.00E+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)) | BDBM50522698
(CHEMBL4536141)Show SMILES COc1ccc(cc1)-c1cc(=O)c2c(O)cc(OC)c(-c3c(OC)cc4oc(cc(=O)c4c3O)-c3ccc(O)cc3)c2o1 |(83.85,-40.12,;83.83,-38.58,;82.49,-37.82,;81.16,-38.6,;79.82,-37.84,;79.81,-36.3,;81.13,-35.52,;82.47,-36.27,;78.47,-35.54,;77.14,-36.33,;75.81,-35.56,;74.47,-36.34,;75.8,-34.03,;74.46,-33.27,;73.12,-34.05,;74.45,-31.73,;75.78,-30.95,;75.78,-29.41,;74.44,-28.64,;77.12,-31.72,;78.45,-30.95,;78.44,-29.4,;77.11,-28.63,;77.11,-27.09,;79.78,-28.63,;81.11,-29.4,;82.44,-28.63,;83.78,-29.4,;83.78,-30.94,;82.45,-31.71,;82.45,-33.25,;81.11,-30.94,;79.78,-31.71,;79.78,-33.25,;85.11,-28.63,;85.11,-27.09,;86.45,-26.32,;87.78,-27.09,;89.11,-26.31,;87.78,-28.63,;86.44,-29.4,;77.13,-33.26,;78.46,-34.01,)| Show InChI InChI=1S/C33H24O10/c1-39-19-10-6-17(7-11-19)24-12-20(35)28-21(36)14-25(40-2)31(33(28)43-24)30-26(41-3)15-27-29(32(30)38)22(37)13-23(42-27)16-4-8-18(34)9-5-16/h4-15,34,36,38H,1-3H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >5.00E+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)) | BDBM50522695
(CHEMBL4589690)Show SMILES COc1ccc(cc1)-c1cc(=O)c2c(O)c(Oc3ccc(cc3)-c3cc(=O)c4c(O)cc(O)cc4o3)c(O)cc2o1 Show InChI InChI=1S/C31H20O10/c1-38-18-6-2-15(3-7-18)25-13-22(35)29-27(41-25)14-23(36)31(30(29)37)39-19-8-4-16(5-9-19)24-12-21(34)28-20(33)10-17(32)11-26(28)40-24/h2-14,32-33,36-37H,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 | >5.00E+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)) | 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
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >5.00E+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 | |
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