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11 similar compounds to monomer 50292546

Compile data set for download or QSAR
Wt: 212.2
BDBM50155413
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Wt: 228.2
BDBM50155419
Wt: 260.1
BDBM50155426
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Wt: 228.2
BDBM50155427
Wt: 244.1
BDBM50155436
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Wt: 242.2
BDBM50155441
Wt: 242.2
BDBM50155444
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Wt: 228.2
BDBM50269645
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Wt: 260.1
BDBM50292547
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Wt: 260.1
BDBM50292544
Wt: 260.1
BDBM50292545

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 21 hits for monomerid = 50155413,50155419,50155426,50155427,50155436,50155441,50155444,50269645,50292547,50292544,50292545   
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
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50155426
PNG
(1,3,5,8-Tetrahydroxy-xanthen-9-one | 1,3,5,8-tetra...)
Show SMILES Oc1cc(O)c2c(c1)oc1c(O)ccc(O)c1c2=O
Show InChI InChI=1S/C13H8O6/c14-5-3-8(17)10-9(4-5)19-13-7(16)2-1-6(15)11(13)12(10)18/h1-4,14-17H
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140n/an/an/an/an/an/an/an/a



Harvard Medical School



Assay Description
Cdk5, 33P-ATP and cofactors were added in the presence of tau protein. The reaction mixture was incubated to allow Cdk5 to transfer 33P from ATP to ...


Chem Biol 12: 811-23 (2005)


Article DOI: 10.1016/j.chembiol.2005.05.011
BindingDB Entry DOI: 10.7270/Q2ST7N84
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50155426
PNG
(1,3,5,8-Tetrahydroxy-xanthen-9-one | 1,3,5,8-tetra...)
Show SMILES Oc1cc(O)c2c(c1)oc1c(O)ccc(O)c1c2=O
Show InChI InChI=1S/C13H8O6/c14-5-3-8(17)10-9(4-5)19-13-7(16)2-1-6(15)11(13)12(10)18/h1-4,14-17H
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200n/a 200n/an/an/an/an/an/a



Harvard Medical School



Assay Description
Cdk5, 33P-ATP and cofactors were added in the presence of tau protein. The reaction mixture was incubated to allow Cdk5 to transfer 33P from ATP to ...


Chem Biol 12: 811-23 (2005)


Article DOI: 10.1016/j.chembiol.2005.05.011
BindingDB Entry DOI: 10.7270/Q2ST7N84
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50292544
PNG
(3,4,6,7-tetrahydroxyxanthone | CHEMBL477740)
Show SMILES Oc1ccc2c(oc3cc(O)c(O)cc3c2=O)c1O
Show InChI InChI=1S/C13H8O6/c14-7-2-1-5-11(17)6-3-8(15)9(16)4-10(6)19-13(5)12(7)18/h1-4,14-16,18H
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1.42E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of ACE by Lineweaver-Burk plot


J Nat Prod 55: 691-695 (1992)


Article DOI: 10.1021/np50083a025
BindingDB Entry DOI: 10.7270/Q21C1WXZ
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50292547
PNG
(1,3,5,6-tetrahydroxyxanthone | 1,3,5,6-tetrahydrox...)
Show SMILES Oc1cc(O)c2c(c1)oc1c(O)c(O)ccc1c2=O
Show InChI InChI=1S/C13H8O6/c14-5-3-8(16)10-9(4-5)19-13-6(11(10)17)1-2-7(15)12(13)18/h1-4,14-16,18H
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3.42E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of ACE by Lineweaver-Burk plot


J Nat Prod 55: 691-695 (1992)


Article DOI: 10.1021/np50083a025
BindingDB Entry DOI: 10.7270/Q21C1WXZ
More data for this
Ligand-Target Pair
Cyclooxygenase-1 (COX-1)


(Homo sapiens (Human))
BDBM50269645
PNG
(3,4-dihydroxyxanthone | CHEMBL446323 | US9114126, ...)
Show SMILES Oc1ccc2c(oc3ccccc3c2=O)c1O
Show InChI InChI=1S/C13H8O4/c14-9-6-5-8-11(15)7-3-1-2-4-10(7)17-13(8)12(9)16/h1-6,14,16H
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n/an/a>1.00E+5n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human COX1 expressed in sf9 cells


J Nat Prod 68: 1514-8 (2005)


Article DOI: 10.1021/np0502342
BindingDB Entry DOI: 10.7270/Q23778HN
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50155413
PNG
(4-Hydroxy-xanthen-9-one | CHEMBL359978)
Show SMILES Oc1cccc2c1oc1ccccc1c2=O
Show InChI InChI=1S/C13H8O3/c14-10-6-3-5-9-12(15)8-4-1-2-7-11(8)16-13(9)10/h1-7,14H
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n/an/a 1.30E+3n/an/an/an/an/an/a



UNNE

Curated by ChEMBL


Assay Description
Concentration required to inhibit monoamine oxidase activity by 50%


Bioorg Med Chem Lett 14: 5611-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.066
BindingDB Entry DOI: 10.7270/Q2W37VS1
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50155419
PNG
(1,5-Dihydroxy-xanthen-9-one | CHEMBL185686)
Show SMILES Oc1cccc2c1oc1cccc(O)c1c2=O
Show InChI InChI=1S/C13H8O4/c14-8-4-2-6-10-11(8)12(16)7-3-1-5-9(15)13(7)17-10/h1-6,14-15H
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n/an/a 730n/an/an/an/an/an/a



UNNE

Curated by ChEMBL


Assay Description
Concentration required to inhibit monoamine oxidase activity by 50%


Bioorg Med Chem Lett 14: 5611-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.066
BindingDB Entry DOI: 10.7270/Q2W37VS1
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50155426
PNG
(1,3,5,8-Tetrahydroxy-xanthen-9-one | 1,3,5,8-tetra...)
Show SMILES Oc1cc(O)c2c(c1)oc1c(O)ccc(O)c1c2=O
Show InChI InChI=1S/C13H8O6/c14-5-3-8(17)10-9(4-5)19-13-7(16)2-1-6(15)11(13)12(10)18/h1-4,14-17H
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n/an/a 1.30E+4n/an/an/an/an/an/a



UNNE

Curated by ChEMBL


Assay Description
Concentration required to inhibit monoamine oxidase activity by 50%


Bioorg Med Chem Lett 14: 5611-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.066
BindingDB Entry DOI: 10.7270/Q2W37VS1
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50155427
PNG
(3,5-Dihydroxy-xanthen-9-one | CHEMBL185788)
Show SMILES Oc1ccc2c(c1)oc1c(O)cccc1c2=O
Show InChI InChI=1S/C13H8O4/c14-7-4-5-8-11(6-7)17-13-9(12(8)16)2-1-3-10(13)15/h1-6,14-15H
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n/an/a 4.50E+3n/an/an/an/an/an/a



UNNE

Curated by ChEMBL


Assay Description
Concentration required to inhibit monoamine oxidase activity by 50%


Bioorg Med Chem Lett 14: 5611-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.066
BindingDB Entry DOI: 10.7270/Q2W37VS1
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50155436
PNG
(1,3,5-Trihydroxy-xanthen-9-one | CHEMBL365234 | US...)
Show SMILES Oc1cc(O)c2c(c1)oc1c(O)cccc1c2=O
Show InChI InChI=1S/C13H8O5/c14-6-4-9(16)11-10(5-6)18-13-7(12(11)17)2-1-3-8(13)15/h1-5,14-16H
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n/an/a 3.80E+3n/an/an/an/an/an/a



UNNE

Curated by ChEMBL


Assay Description
Concentration required to inhibit monoamine oxidase activity by 50%


Bioorg Med Chem Lett 14: 5611-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.066
BindingDB Entry DOI: 10.7270/Q2W37VS1
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50155441
PNG
(4-Hydroxy-3-methoxy-xanthen-9-one | CHEMBL186863)
Show SMILES COc1ccc2c(oc3ccccc3c2=O)c1O
Show InChI InChI=1S/C14H10O4/c1-17-11-7-6-9-12(15)8-4-2-3-5-10(8)18-14(9)13(11)16/h2-7,16H,1H3
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n/an/a 1.80E+4n/an/an/an/an/an/a



UNNE

Curated by ChEMBL


Assay Description
Concentration required to inhibit monoamine oxidase activity by 50%


Bioorg Med Chem Lett 14: 5611-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.066
BindingDB Entry DOI: 10.7270/Q2W37VS1
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50155444
PNG
(3-Hydroxy-4-methoxy-xanthen-9-one | CHEMBL185895)
Show SMILES COc1c(O)ccc2c1oc1ccccc1c2=O
Show InChI InChI=1S/C14H10O4/c1-17-14-10(15)7-6-9-12(16)8-4-2-3-5-11(8)18-13(9)14/h2-7,15H,1H3
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n/an/a 6.50E+4n/an/an/an/an/an/a



UNNE

Curated by ChEMBL


Assay Description
Concentration required to inhibit monoamine oxidase activity by 50%


Bioorg Med Chem Lett 14: 5611-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.066
BindingDB Entry DOI: 10.7270/Q2W37VS1
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50269645
PNG
(3,4-dihydroxyxanthone | CHEMBL446323 | US9114126, ...)
Show SMILES Oc1ccc2c(oc3ccccc3c2=O)c1O
Show InChI InChI=1S/C13H8O4/c14-9-6-5-8-11(15)7-3-1-2-4-10(7)17-13(8)12(9)16/h1-6,14,16H
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n/an/a 1.89E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human COX2 expressed in sf9 cells


J Nat Prod 68: 1514-8 (2005)


Article DOI: 10.1021/np0502342
BindingDB Entry DOI: 10.7270/Q23778HN
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50292544
PNG
(3,4,6,7-tetrahydroxyxanthone | CHEMBL477740)
Show SMILES Oc1ccc2c(oc3cc(O)c(O)cc3c2=O)c1O
Show InChI InChI=1S/C13H8O6/c14-7-2-1-5-11(17)6-3-8(15)9(16)4-10(6)19-13(5)12(7)18/h1-4,14-16,18H
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n/an/a 3.54E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of ACE


J Nat Prod 55: 691-695 (1992)


Article DOI: 10.1021/np50083a025
BindingDB Entry DOI: 10.7270/Q21C1WXZ
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50292545
PNG
(2,3,6,7-Tethrahydroxyxanthone | CHEMBL12700)
Show SMILES Oc1cc2oc3cc(O)c(O)cc3c(=O)c2cc1O
Show InChI InChI=1S/C13H8O6/c14-7-1-5-11(3-9(7)16)19-12-4-10(17)8(15)2-6(12)13(5)18/h1-4,14-17H
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n/an/a 7.69E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of ACE


J Nat Prod 55: 691-695 (1992)


Article DOI: 10.1021/np50083a025
BindingDB Entry DOI: 10.7270/Q21C1WXZ
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50292547
PNG
(1,3,5,6-tetrahydroxyxanthone | 1,3,5,6-tetrahydrox...)
Show SMILES Oc1cc(O)c2c(c1)oc1c(O)c(O)ccc1c2=O
Show InChI InChI=1S/C13H8O6/c14-5-3-8(16)10-9(4-5)19-13-6(11(10)17)1-2-7(15)12(13)18/h1-4,14-16,18H
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n/an/a 6.92E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of ACE


J Nat Prod 55: 691-695 (1992)


Article DOI: 10.1021/np50083a025
BindingDB Entry DOI: 10.7270/Q21C1WXZ
More data for this
Ligand-Target Pair
Na/K-ATPase


(Sus scrofa (Pig))
BDBM50292547
PNG
(1,3,5,6-tetrahydroxyxanthone | 1,3,5,6-tetrahydrox...)
Show SMILES Oc1cc(O)c2c(c1)oc1c(O)c(O)ccc1c2=O
Show InChI InChI=1S/C13H8O6/c14-5-3-8(16)10-9(4-5)19-13-6(11(10)17)1-2-7(15)12(13)18/h1-4,14-16,18H
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n/an/a 6.00E+4n/an/an/an/a7.437



THE UNIVERSITY OF TOLEDO

US Patent


Assay Description
The purified Na/K-ATPase was prepared from pig kidney. The specific activities of Na/K-ATPase of various kidney preparations were in the range of 900...


US Patent US9114126 (2015)


BindingDB Entry DOI: 10.7270/Q2Z31XFQ
More data for this
Ligand-Target Pair
Na/K-ATPase


(Sus scrofa (Pig))
BDBM50155436
PNG
(1,3,5-Trihydroxy-xanthen-9-one | CHEMBL365234 | US...)
Show SMILES Oc1cc(O)c2c(c1)oc1c(O)cccc1c2=O
Show InChI InChI=1S/C13H8O5/c14-6-4-9(16)11-10(5-6)18-13-7(12(11)17)2-1-3-8(13)15/h1-5,14-16H
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n/an/a 6.50E+4n/an/an/an/a7.437



THE UNIVERSITY OF TOLEDO

US Patent


Assay Description
The purified Na/K-ATPase was prepared from pig kidney. The specific activities of Na/K-ATPase of various kidney preparations were in the range of 900...


US Patent US9114126 (2015)


BindingDB Entry DOI: 10.7270/Q2Z31XFQ
More data for this
Ligand-Target Pair
Na/K-ATPase


(Sus scrofa (Pig))
BDBM50269645
PNG
(3,4-dihydroxyxanthone | CHEMBL446323 | US9114126, ...)
Show SMILES Oc1ccc2c(oc3ccccc3c2=O)c1O
Show InChI InChI=1S/C13H8O4/c14-9-6-5-8-11(15)7-3-1-2-4-10(7)17-13(8)12(9)16/h1-6,14,16H
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n/an/a>1.00E+5n/an/an/an/a7.437



THE UNIVERSITY OF TOLEDO

US Patent


Assay Description
The purified Na/K-ATPase was prepared from pig kidney. The specific activities of Na/K-ATPase of various kidney preparations were in the range of 900...


US Patent US9114126 (2015)


BindingDB Entry DOI: 10.7270/Q2Z31XFQ
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50155426
PNG
(1,3,5,8-Tetrahydroxy-xanthen-9-one | 1,3,5,8-tetra...)
Show SMILES Oc1cc(O)c2c(c1)oc1c(O)ccc(O)c1c2=O
Show InChI InChI=1S/C13H8O6/c14-5-3-8(17)10-9(4-5)19-13-7(16)2-1-6(15)11(13)12(10)18/h1-4,14-17H
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n/an/a 200n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of CDK5/P25 using full length tau as substrate by colorimetric ELISA


Bioorg Med Chem Lett 21: 2098-101 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.140
BindingDB Entry DOI: 10.7270/Q2GT5NG8
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50155436
PNG
(1,3,5-Trihydroxy-xanthen-9-one | CHEMBL365234 | US...)
Show SMILES Oc1cc(O)c2c(c1)oc1c(O)cccc1c2=O
Show InChI InChI=1S/C13H8O5/c14-6-4-9(16)11-10(5-6)18-13-7(12(11)17)2-1-3-8(13)15/h1-5,14-16H
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n/an/a 2.60E+4n/an/an/an/an/an/a



Harvard Medical School



Assay Description
Cdk5, 33P-ATP and cofactors were added in the presence of tau protein. The reaction mixture was incubated to allow Cdk5 to transfer 33P from ATP to ...


Chem Biol 12: 811-23 (2005)


Article DOI: 10.1016/j.chembiol.2005.05.011
BindingDB Entry DOI: 10.7270/Q2ST7N84
More data for this
Ligand-Target Pair