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5 similar compounds to monomer 50101412

Compile data set for download or QSAR
Wt: 481.2
BDBM50101410
Wt: 481.2
BDBM50101411
Wt: 481.2
BDBM50101413
Wt: 319.1
BDBM50246947
Wt: 560.1
BDBM50246982

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 50101410,50101411,50101413,50246947,50246982   
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))
BDBM50101410
PNG
((trans,trans)-1-bromo-2,5-bis-(3-hydroxycarbonyl-4...)
Show SMILES OC(=O)c1cc(\C=C\c2ccc(\C=C\c3ccc(O)c(c3)C(O)=O)c(Br)c2)ccc1O
Show InChI InChI=1S/C24H17BrO6/c25-20-13-16(2-1-14-5-9-21(26)18(11-14)23(28)29)4-8-17(20)7-3-15-6-10-22(27)19(12-15)24(30)31/h1-13,26-27H,(H,28,29)(H,30,31)/b2-1+,7-3+
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0.110n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibitory activity against binding of [125I]-IMSB to amyloid beta in brain


J Med Chem 44: 2270-5 (2001)


Article DOI: 10.1021/jm010161t
BindingDB Entry DOI: 10.7270/Q22J6B4Z
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (human))
BDBM50101411
PNG
(5-[2-bromo-4-(3-carboxy-4-hydroxyphenethyl)pheneth...)
Show SMILES OC(=O)c1cc(\C=C/c2ccc(\C=C/c3ccc(O)c(c3)C(O)=O)c(Br)c2)ccc1O
Show InChI InChI=1S/C24H17BrO6/c25-20-13-16(2-1-14-5-9-21(26)18(11-14)23(28)29)4-8-17(20)7-3-15-6-10-22(27)19(12-15)24(30)31/h1-13,26-27H,(H,28,29)(H,30,31)/b2-1-,7-3-
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0.130n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibitory activity against binding of [125I]-IMSB to amyloid beta in brain


J Med Chem 44: 2270-5 (2001)


Article DOI: 10.1021/jm010161t
BindingDB Entry DOI: 10.7270/Q22J6B4Z
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (human))
BDBM50101413
PNG
(5-[2-bromo-4-(3-carboxy-4-hydroxyphenethyl)pheneth...)
Show SMILES OC(=O)c1cc(\C=C\c2ccc(\C=C/c3ccc(O)c(c3)C(O)=O)c(Br)c2)ccc1O
Show InChI InChI=1S/C24H17BrO6/c25-20-13-16(2-1-14-5-9-21(26)18(11-14)23(28)29)4-8-17(20)7-3-15-6-10-22(27)19(12-15)24(30)31/h1-13,26-27H,(H,28,29)(H,30,31)/b2-1+,7-3-
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0.190n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibitory activity against binding of [125I]-IMSB to amyloid beta in brain


J Med Chem 44: 2270-5 (2001)


Article DOI: 10.1021/jm010161t
BindingDB Entry DOI: 10.7270/Q22J6B4Z
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 2


(Homo sapiens (Human))
BDBM50246982
PNG
(5-((E)-2-{4-[(E)-2-(5-Bromo-3-carboxy-4-hydroxyphe...)
Show SMILES OC(=O)c1cc(\C=C\c2ccc(\C=C\c3cc(Br)c(O)c(c3)C(O)=O)cc2)cc(Br)c1O
Show InChI InChI=1S/C24H16Br2O6/c25-19-11-15(9-17(21(19)27)23(29)30)7-5-13-1-2-14(4-3-13)6-8-16-10-18(24(31)32)22(28)20(26)12-16/h1-12,27-28H,(H,29,30)(H,31,32)/b7-5+,8-6+
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n/an/a 3.70E+4n/an/an/an/an/an/a



Inha University

Curated by ChEMBL


Assay Description
Inhibition of TC-PTP (unknown origin)


Bioorg Med Chem 16: 8643-52 (2008)


Article DOI: 10.1016/j.bmc.2008.07.090
BindingDB Entry DOI: 10.7270/Q2KP820N
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1C


(Homo sapiens (Human))
BDBM50246947
PNG
(5-[(E)-2-Phenylvinyl]-3-bromo-2-hydroxybenzoic aci...)
Show SMILES OC(=O)c1cc(\C=C\c2ccccc2)cc(Br)c1O
Show InChI InChI=1S/C15H11BrO3/c16-13-9-11(8-12(14(13)17)15(18)19)7-6-10-4-2-1-3-5-10/h1-9,17H,(H,18,19)/b7-6+
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n/an/a 1.40E+5n/an/an/an/an/an/a



Inha University

Curated by ChEMBL


Assay Description
Inhibition of PTP SHP1 (unknown origin)


Bioorg Med Chem 16: 8643-52 (2008)


Article DOI: 10.1016/j.bmc.2008.07.090
BindingDB Entry DOI: 10.7270/Q2KP820N
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 2


(Homo sapiens (Human))
BDBM50246947
PNG
(5-[(E)-2-Phenylvinyl]-3-bromo-2-hydroxybenzoic aci...)
Show SMILES OC(=O)c1cc(\C=C\c2ccccc2)cc(Br)c1O
Show InChI InChI=1S/C15H11BrO3/c16-13-9-11(8-12(14(13)17)15(18)19)7-6-10-4-2-1-3-5-10/h1-9,17H,(H,18,19)/b7-6+
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n/an/a 1.73E+5n/an/an/an/an/an/a



Inha University

Curated by ChEMBL


Assay Description
Inhibition of TC-PTP (unknown origin)


Bioorg Med Chem 16: 8643-52 (2008)


Article DOI: 10.1016/j.bmc.2008.07.090
BindingDB Entry DOI: 10.7270/Q2KP820N
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1C


(Homo sapiens (Human))
BDBM50246982
PNG
(5-((E)-2-{4-[(E)-2-(5-Bromo-3-carboxy-4-hydroxyphe...)
Show SMILES OC(=O)c1cc(\C=C\c2ccc(\C=C\c3cc(Br)c(O)c(c3)C(O)=O)cc2)cc(Br)c1O
Show InChI InChI=1S/C24H16Br2O6/c25-19-11-15(9-17(21(19)27)23(29)30)7-5-13-1-2-14(4-3-13)6-8-16-10-18(24(31)32)22(28)20(26)12-16/h1-12,27-28H,(H,29,30)(H,31,32)/b7-5+,8-6+
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n/an/a 1.50E+4n/an/an/an/an/an/a



Inha University

Curated by ChEMBL


Assay Description
Inhibition of PTP SHP1 (unknown origin)


Bioorg Med Chem 16: 8643-52 (2008)


Article DOI: 10.1016/j.bmc.2008.07.090
BindingDB Entry DOI: 10.7270/Q2KP820N
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50246947
PNG
(5-[(E)-2-Phenylvinyl]-3-bromo-2-hydroxybenzoic aci...)
Show SMILES OC(=O)c1cc(\C=C\c2ccccc2)cc(Br)c1O
Show InChI InChI=1S/C15H11BrO3/c16-13-9-11(8-12(14(13)17)15(18)19)7-6-10-4-2-1-3-5-10/h1-9,17H,(H,18,19)/b7-6+
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n/an/a 3.00E+4n/an/an/an/an/an/a



Inha University

Curated by ChEMBL


Assay Description
Inhibition of PTP1B (unknown origin)


Bioorg Med Chem 16: 8643-52 (2008)


Article DOI: 10.1016/j.bmc.2008.07.090
BindingDB Entry DOI: 10.7270/Q2KP820N
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50246982
PNG
(5-((E)-2-{4-[(E)-2-(5-Bromo-3-carboxy-4-hydroxyphe...)
Show SMILES OC(=O)c1cc(\C=C\c2ccc(\C=C\c3cc(Br)c(O)c(c3)C(O)=O)cc2)cc(Br)c1O
Show InChI InChI=1S/C24H16Br2O6/c25-19-11-15(9-17(21(19)27)23(29)30)7-5-13-1-2-14(4-3-13)6-8-16-10-18(24(31)32)22(28)20(26)12-16/h1-12,27-28H,(H,29,30)(H,31,32)/b7-5+,8-6+
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n/an/a 3.00E+3n/an/an/an/an/an/a



Inha University

Curated by ChEMBL


Assay Description
Inhibition of PTP1B (unknown origin)


Bioorg Med Chem 16: 8643-52 (2008)


Article DOI: 10.1016/j.bmc.2008.07.090
BindingDB Entry DOI: 10.7270/Q2KP820N
More data for this
Ligand-Target Pair