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34 molecules are shown

Wt: 322.3
BDBM50185989
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Wt: 192.2
BDBM50195679
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Wt: 344.4
BDBM50398211
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Wt: 365.4
BDBM50020863
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 50185989,50195679,50398211,50020863   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM50398211
PNG
(CHEMBL2181036)
Show SMILES COc1cc(\C=C\c2ccc(O)cc2)ccc1\C=C\c1ccc(O)cc1
Show InChI InChI=1S/C23H20O3/c1-26-23-16-19(3-2-17-6-12-21(24)13-7-17)5-11-20(23)10-4-18-8-14-22(25)15-9-18/h2-16,24-25H,1H3/b3-2+,10-4+
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24n/an/an/an/an/an/an/an/a



Leiden University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]chrysamine G from fibrillar amyloid beta (1 to 40) (unknown origin) after 1 hr by liquid scintillation spectrophotometric analysi...


Bioorg Med Chem 22: 2469-81 (2014)


Article DOI: 10.1016/j.bmc.2014.02.054
BindingDB Entry DOI: 10.7270/Q2DB83C0
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM50195679
PNG
((E)-4-(4-Hydroxy-3-methoxy-phenyl)-but-3-en-2-one ...)
Show SMILES COc1cc(C=CC(C)=O)ccc1O |w:5.4|
Show InChI InChI=1S/C11H12O3/c1-8(12)3-4-9-5-6-10(13)11(7-9)14-2/h3-7,13H,1-2H3
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54.2n/an/an/an/an/an/an/an/a



Sungkyunkwan University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [125I]IMSB from beta amyloid protein 40


J Med Chem 49: 6111-9 (2006)


Article DOI: 10.1021/jm0607193
BindingDB Entry DOI: 10.7270/Q2J38TB2
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM50195679
PNG
((E)-4-(4-Hydroxy-3-methoxy-phenyl)-but-3-en-2-one ...)
Show SMILES COc1cc(C=CC(C)=O)ccc1O |w:5.4|
Show InChI InChI=1S/C11H12O3/c1-8(12)3-4-9-5-6-10(13)11(7-9)14-2/h3-7,13H,1-2H3
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55.9n/an/an/an/an/an/an/an/a



Sungkyunkwan University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [125I]IMPY from beta amyloid protein 40


J Med Chem 49: 6111-9 (2006)


Article DOI: 10.1021/jm0607193
BindingDB Entry DOI: 10.7270/Q2J38TB2
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM50185989
PNG
(1,6-bis(4'-nitrophenyl)-hexa-1,3,5-triene | CHEMBL...)
Show SMILES [O-][N+](=O)c1ccc(\C=C\C=C\C=C\c2ccc(cc2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C18H14N2O4/c21-19(22)17-11-7-15(8-12-17)5-3-1-2-4-6-16-9-13-18(14-10-16)20(23)24/h1-14H/b2-1+,5-3+,6-4+
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500n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Displacement of [125I]2-(4'-dimethylaminophenyl)-6-iodoimidazo[1,2-a]pyridine from beta amyloid peptide in brain tissue at 50 uL


J Med Chem 49: 2841-4 (2006)


Article DOI: 10.1021/jm051020k
BindingDB Entry DOI: 10.7270/Q2Q23ZT9
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM50185989
PNG
(1,6-bis(4'-nitrophenyl)-hexa-1,3,5-triene | CHEMBL...)
Show SMILES [O-][N+](=O)c1ccc(\C=C\C=C\C=C\c2ccc(cc2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C18H14N2O4/c21-19(22)17-11-7-15(8-12-17)5-3-1-2-4-6-16-9-13-18(14-10-16)20(23)24/h1-14H/b2-1+,5-3+,6-4+
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>4.00E+3n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Displacement of [125I](E,E)-1-iodo-2,5-bis-(3-hydroxycarbonyl-4-methoxy)styrylbenzene from beta amyloid peptide in brain tissue at 50 uL


J Med Chem 49: 2841-4 (2006)


Article DOI: 10.1021/jm051020k
BindingDB Entry DOI: 10.7270/Q2Q23ZT9
More data for this
Ligand-Target Pair
Tau


(Homo sapiens (Human))
BDBM50398211
PNG
(CHEMBL2181036)
Show SMILES COc1cc(\C=C\c2ccc(O)cc2)ccc1\C=C\c1ccc(O)cc1
Show InChI InChI=1S/C23H20O3/c1-26-23-16-19(3-2-17-6-12-21(24)13-7-17)5-11-20(23)10-4-18-8-14-22(25)15-9-18/h2-16,24-25H,1H3/b3-2+,10-4+
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n/an/a 246n/an/an/an/an/an/a



Technische Universit£t Darmstadt

Curated by ChEMBL


Assay Description
Displacement of thiazine red R from human Tau aggregate expressed in Escherichia coli after 30 mins by fluorimetric analysis


Bioorg Med Chem Lett 22: 7667-71 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.109
BindingDB Entry DOI: 10.7270/Q2TQ62PC
More data for this
Ligand-Target Pair
Tau


(Homo sapiens (Human))
BDBM50398211
PNG
(CHEMBL2181036)
Show SMILES COc1cc(\C=C\c2ccc(O)cc2)ccc1\C=C\c1ccc(O)cc1
Show InChI InChI=1S/C23H20O3/c1-26-23-16-19(3-2-17-6-12-21(24)13-7-17)5-11-20(23)10-4-18-8-14-22(25)15-9-18/h2-16,24-25H,1H3/b3-2+,10-4+
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n/an/a 246n/an/an/an/an/an/a



Technische Universit£t Darmstadt

Curated by ChEMBL


Assay Description
Displacement of thiazene red from tau aggregate


J Med Chem 55: 9170-80 (2012)


Article DOI: 10.1021/jm300653b
BindingDB Entry DOI: 10.7270/Q2PC33HQ
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM50020863
PNG
(CHEMBL3286986)
Show SMILES COc1cc(\C=c2/sc3nc(cn3c2=O)-c2ccncc2C)ccc1O
Show InChI InChI=1S/C19H15N3O3S/c1-11-9-20-6-5-13(11)14-10-22-18(24)17(26-19(22)21-14)8-12-3-4-15(23)16(7-12)25-2/h3-10,23H,1-2H3/b17-8-
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n/an/a>1.00E+4n/an/an/an/an/an/a



Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of amyloid beta (unknown origin) aggregation by Thiazin-red R displacement fluorescence assay


ACS Med Chem Lett 5: 619-20 (2014)


Article DOI: 10.1021/ml500147n
BindingDB Entry DOI: 10.7270/Q2ZW1NGS
More data for this
Ligand-Target Pair
Tau


(Homo sapiens (Human))
BDBM50020863
PNG
(CHEMBL3286986)
Show SMILES COc1cc(\C=c2/sc3nc(cn3c2=O)-c2ccncc2C)ccc1O
Show InChI InChI=1S/C19H15N3O3S/c1-11-9-20-6-5-13(11)14-10-22-18(24)17(26-19(22)21-14)8-12-3-4-15(23)16(7-12)25-2/h3-10,23H,1-2H3/b17-8-
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n/an/a 79n/an/an/an/an/an/a



Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of recombinant human microtubule associated protein tau aggregation by Thiazin-red R displacement fluorescence assay


ACS Med Chem Lett 5: 619-20 (2014)


Article DOI: 10.1021/ml500147n
BindingDB Entry DOI: 10.7270/Q2ZW1NGS
More data for this
Ligand-Target Pair