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48 similar compounds to monomer 50005904

Compile data set for download or QSAR
Wt: 240.2
BDBM11316
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Wt: 270.2
BDBM11318
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Wt: 254.2
BDBM50455992
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Wt: 256.2
BDBM67454
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Wt: 300.2
BDBM115127
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Wt: 282.2
BDBM50005882
Wt: 284.2
BDBM50005886
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Wt: 298.2
BDBM50005899
Wt: 314.3
BDBM50005902
Wt: 330.3
BDBM50005912
Wt: 238.2
BDBM50005901
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Wt: 254.2
BDBM50005890
Wt: 272.2
BDBM50041419
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Wt: 316.3
BDBM50041772
Wt: 348.3
BDBM50041776
Displayed 1 to 15 (of 48 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 62 hits for monomerid = 11316,11318,50455992,67454,115127,50005882,50005886,50005899,50005902,50005912,50005901,50005890,50041419,50041772,50041776   
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
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM67454
PNG
(1,2,4-trihydroxy-9,10-anthraquinone | 1,2,4-trihyd...)
Show SMILES Oc1cc(O)c2C(=O)c3ccccc3C(=O)c2c1O
Show InChI InChI=1S/C14H8O5/c15-8-5-9(16)14(19)11-10(8)12(17)6-3-1-2-4-7(6)13(11)18/h1-5,15-16,19H
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422n/an/an/an/an/an/an/an/a



Sunchon National University

Curated by ChEMBL


Assay Description
Competitive inhibition of recombinant human MAO-A using 0.01 to 0.5 mM kynuramine substrate by Lineweaver-Burk plot analysis


Bioorg Med Chem Lett 27: 1136-1140 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.085
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM11318
PNG
(1,3,8-trihydroxy-6-methyl-9,10-dihydroanthracene-9...)
Show SMILES Cc1cc(O)c2C(=O)c3c(O)cc(O)cc3C(=O)c2c1
Show InChI InChI=1S/C15H10O5/c1-6-2-8-12(10(17)3-6)15(20)13-9(14(8)19)4-7(16)5-11(13)18/h2-5,16-18H,1H3
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770n/an/an/an/an/an/an/an/a



Kyoto Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of binding of 17 beta-estradiol to human Estrogen receptor alpha


Bioorg Med Chem Lett 11: 1839-42 (2001)


Article DOI: 10.1016/s0960-894x(01)00318-3
BindingDB Entry DOI: 10.7270/Q29P325H
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM11318
PNG
(1,3,8-trihydroxy-6-methyl-9,10-dihydroanthracene-9...)
Show SMILES Cc1cc(O)c2C(=O)c3c(O)cc(O)cc3C(=O)c2c1
Show InChI InChI=1S/C15H10O5/c1-6-2-8-12(10(17)3-6)15(20)13-9(14(8)19)4-7(16)5-11(13)18/h2-5,16-18H,1H3
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1.50E+3n/an/an/an/an/an/an/an/a



Kyoto Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of binding of 17 beta-estradiol to human Estrogen receptor beta


Bioorg Med Chem Lett 11: 1839-42 (2001)


Article DOI: 10.1016/s0960-894x(01)00318-3
BindingDB Entry DOI: 10.7270/Q29P325H
More data for this
Ligand-Target Pair
Casein kinase II alpha


(Homo sapiens (Human))
BDBM11318
PNG
(1,3,8-trihydroxy-6-methyl-9,10-dihydroanthracene-9...)
Show SMILES Cc1cc(O)c2C(=O)c3c(O)cc(O)cc3C(=O)c2c1
Show InChI InChI=1S/C15H10O5/c1-6-2-8-12(10(17)3-6)15(20)13-9(14(8)19)4-7(16)5-11(13)18/h2-5,16-18H,1H3
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1.85E+3 -7.74 890n/an/an/an/a7.522



University of Padova



Assay Description
In vitro kinase assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of 100 uM ATP/ [gam...


Biochem J 374: 639-46 (2003)


Article DOI: 10.1042/BJ20030674
BindingDB Entry DOI: 10.7270/Q2BV7DTQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Casein Kinase II


(Zea mays (Maize))
BDBM11318
PNG
(1,3,8-trihydroxy-6-methyl-9,10-dihydroanthracene-9...)
Show SMILES Cc1cc(O)c2C(=O)c3c(O)cc(O)cc3C(=O)c2c1
Show InChI InChI=1S/C15H10O5/c1-6-2-8-12(10(17)3-6)15(20)13-9(14(8)19)4-7(16)5-11(13)18/h2-5,16-18H,1H3
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1.85E+3 -7.74n/an/an/an/an/a7.522



University of Padova



Assay Description
In vitro kinase assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of 100 uM ATP/ [gam...


J Biol Chem 278: 1831-6 (2003)


Article DOI: 10.1074/jbc.M209367200
BindingDB Entry DOI: 10.7270/Q2GH9G5K
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM11318
PNG
(1,3,8-trihydroxy-6-methyl-9,10-dihydroanthracene-9...)
Show SMILES Cc1cc(O)c2C(=O)c3c(O)cc(O)cc3C(=O)c2c1
Show InChI InChI=1S/C15H10O5/c1-6-2-8-12(10(17)3-6)15(20)13-9(14(8)19)4-7(16)5-11(13)18/h2-5,16-18H,1H3
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2.11E+3n/an/an/an/an/an/an/an/a



University of Colorado

Curated by ChEMBL


Assay Description
Uncompetitive inhibition of human recombinant aldose reductase expressed in Escherichia coli using DL-glyceraldehyde as substrate by double reciproca...


J Nat Prod 79: 1439-44 (2016)


Article DOI: 10.1021/acs.jnatprod.6b00185
BindingDB Entry DOI: 10.7270/Q2CN75T2
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM11318
PNG
(1,3,8-trihydroxy-6-methyl-9,10-dihydroanthracene-9...)
Show SMILES Cc1cc(O)c2C(=O)c3c(O)cc(O)cc3C(=O)c2c1
Show InChI InChI=1S/C15H10O5/c1-6-2-8-12(10(17)3-6)15(20)13-9(14(8)19)4-7(16)5-11(13)18/h2-5,16-18H,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]PSB0413 from human platelet P2Y12 receptor


J Med Chem 52: 3784-93 (2009)


Article DOI: 10.1021/jm9003297
BindingDB Entry DOI: 10.7270/Q2NK3FZF
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50005886
PNG
(1,8-Dihydroxy-3-methoxy-6-methylanthraquinone | 1,...)
Show SMILES COc1cc(O)c2C(=O)c3c(O)cc(C)cc3C(=O)c2c1
Show InChI InChI=1S/C16H12O5/c1-7-3-9-13(11(17)4-7)16(20)14-10(15(9)19)5-8(21-2)6-12(14)18/h3-6,17-18H,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]PSB0413 from human platelet P2Y12 receptor


J Med Chem 52: 3784-93 (2009)


Article DOI: 10.1021/jm9003297
BindingDB Entry DOI: 10.7270/Q2NK3FZF
More data for this
Ligand-Target Pair
Casein Kinase II


(Zea mays (Maize))
BDBM11316
PNG
(1,8-dihydroxy-9,10-dihydroanthracene-9,10-dione | ...)
Show SMILES Oc1cccc2C(=O)c3cccc(O)c3C(=O)c12
Show InChI InChI=1S/C14H8O4/c15-9-5-1-3-7-11(9)14(18)12-8(13(7)17)4-2-6-10(12)16/h1-6,15-16H
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>4.00E+4>-5.94n/an/an/an/an/a7.522



University of Padova



Assay Description
In vitro kinase assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of 100 uM ATP/ [gam...


J Biol Chem 278: 1831-6 (2003)


Article DOI: 10.1074/jbc.M209367200
BindingDB Entry DOI: 10.7270/Q2GH9G5K
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Human rhinovirus A protease


(Human rhinovirus B)
BDBM50005886
PNG
(1,8-Dihydroxy-3-methoxy-6-methylanthraquinone | 1,...)
Show SMILES COc1cc(O)c2C(=O)c3c(O)cc(C)cc3C(=O)c2c1
Show InChI InChI=1S/C16H12O5/c1-7-3-9-13(11(17)4-7)16(20)14-10(15(9)19)5-8(21-2)6-12(14)18/h3-6,17-18H,1-2H3
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n/an/a>1.50E+5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against HRV 3Cpro using HPLC assay


Bioorg Med Chem Lett 11: 3143-6 (2001)


Article DOI: 10.1016/s0960-894x(01)00648-5
BindingDB Entry DOI: 10.7270/Q2T43SDG
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50455992
PNG
(CHEBI:3687 | CHRYSOPHANOL | Chrysophanol)
Show SMILES Cc1cc(O)c2C(=O)c3c(O)cccc3C(=O)c2c1
Show InChI InChI=1S/C15H10O4/c1-7-5-9-13(11(17)6-7)15(19)12-8(14(9)18)3-2-4-10(12)16/h2-6,16-17H,1H3
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n/an/a 1.80E+4n/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Compound was tested for the enzyme inhibitory activity against Human Leukocyte Elastase (HLE) at 28 uM concentration


J Med Chem 35: 1597-605 (1992)


Article DOI: 10.1021/jm00087a014
BindingDB Entry DOI: 10.7270/Q2QN67D7
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Bos taurus)
BDBM50041772
PNG
(2-Benzyl-1,8-dihydroxy-10H-anthracen-9-one | CHEMB...)
Show SMILES Oc1cccc2Cc3ccc(Cc4ccccc4)c(O)c3C(=O)c12
Show InChI InChI=1S/C21H16O3/c22-17-8-4-7-14-12-15-9-10-16(11-13-5-2-1-3-6-13)20(23)19(15)21(24)18(14)17/h1-10,22-23H,11-12H2
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n/an/a>3.00E+4n/an/an/an/an/an/a



Universität Regensburg

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase in bovine polymorphonuclear leukocytes


J Med Chem 37: 1660-9 (1994)


Article DOI: 10.1021/jm00037a017
BindingDB Entry DOI: 10.7270/Q2H70DW9
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Bos taurus)
BDBM50041776
PNG
(2-(3,4-Dihydroxy-benzyl)-1,8-dihydroxy-10H-anthrac...)
Show SMILES Oc1ccc(Cc2ccc3Cc4cccc(O)c4C(=O)c3c2O)cc1O
Show InChI InChI=1S/C21H16O5/c22-15-7-4-11(9-17(15)24)8-14-6-5-13-10-12-2-1-3-16(23)18(12)21(26)19(13)20(14)25/h1-7,9,22-25H,8,10H2
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n/an/a 4.00E+3n/an/an/an/an/an/a



Universität Regensburg

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase in bovine polymorphonuclear leukocytes


J Med Chem 37: 1660-9 (1994)


Article DOI: 10.1021/jm00037a017
BindingDB Entry DOI: 10.7270/Q2H70DW9
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50455992
PNG
(CHEBI:3687 | CHRYSOPHANOL | Chrysophanol)
Show SMILES Cc1cc(O)c2C(=O)c3c(O)cccc3C(=O)c2c1
Show InChI InChI=1S/C15H10O4/c1-7-5-9-13(11(17)6-7)15(19)12-8(14(9)18)3-2-4-10(12)16/h2-6,16-17H,1H3
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n/an/a 4.62E+4n/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 using arachidonic acid as substrate preincubated for 10 mins before substrate addition measured after 5 mins by EIA


Eur J Med Chem 80: 47-56 (2014)


Article DOI: 10.1016/j.ejmech.2014.04.033
BindingDB Entry DOI: 10.7270/Q2D22051
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM50455992
PNG
(CHEBI:3687 | CHRYSOPHANOL | Chrysophanol)
Show SMILES Cc1cc(O)c2C(=O)c3c(O)cccc3C(=O)c2c1
Show InChI InChI=1S/C15H10O4/c1-7-5-9-13(11(17)6-7)15(19)12-8(14(9)18)3-2-4-10(12)16/h2-6,16-17H,1H3
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n/an/a 3.61E+4n/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 using arachidonic acid as substrate preincubated for 10 mins before substrate addition measured after 5 mins by EIA


Eur J Med Chem 80: 47-56 (2014)


Article DOI: 10.1016/j.ejmech.2014.04.033
BindingDB Entry DOI: 10.7270/Q2D22051
More data for this
Ligand-Target Pair
Accessory gene regulator protein A


(Staphylococcus aureus)
BDBM11318
PNG
(1,3,8-trihydroxy-6-methyl-9,10-dihydroanthracene-9...)
Show SMILES Cc1cc(O)c2C(=O)c3c(O)cc(O)cc3C(=O)c2c1
Show InChI InChI=1S/C15H10O5/c1-6-2-8-12(10(17)3-6)15(20)13-9(14(8)19)4-7(16)5-11(13)18/h2-5,16-18H,1H3
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n/an/a 1.71E+4n/an/an/an/an/an/a



University of North Carolina at Greensboro

Curated by ChEMBL


Assay Description
Inhibition of AGR quorum sensing system in methicillin-resistant Staphylococcus aureus AH2759 incubated for 15 hrs by P3-LUX reporter gene assay


J Nat Prod 77: 1351-8 (2014)


Article DOI: 10.1021/np5000704
BindingDB Entry DOI: 10.7270/Q21V5GJD
More data for this
Ligand-Target Pair
Accessory gene regulator protein A


(Staphylococcus aureus)
BDBM115127
PNG
(4,5,7-trihydroxy-9,10-diketo-anthracene-2-carboxyl...)
Show SMILES OC(=O)c1cc(O)c2C(=O)c3c(O)cc(O)cc3C(=O)c2c1
Show InChI InChI=1S/C15H8O7/c16-6-3-8-12(10(18)4-6)14(20)11-7(13(8)19)1-5(15(21)22)2-9(11)17/h1-4,16-18H,(H,21,22)
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n/an/a 3.06E+4n/an/an/an/an/an/a



University of North Carolina at Greensboro

Curated by ChEMBL


Assay Description
Inhibition of AGR quorum sensing system in methicillin-resistant Staphylococcus aureus AH2759 incubated for 15 hrs by P3-LUX reporter gene assay


J Nat Prod 77: 1351-8 (2014)


Article DOI: 10.1021/np5000704
BindingDB Entry DOI: 10.7270/Q21V5GJD
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Bos taurus)
BDBM11316
PNG
(1,8-dihydroxy-9,10-dihydroanthracene-9,10-dione | ...)
Show SMILES Oc1cccc2C(=O)c3cccc(O)c3C(=O)c12
Show InChI InChI=1S/C14H8O4/c15-9-5-1-3-7-11(9)14(18)12-8(13(7)17)4-2-6-10(12)16/h1-6,15-16H
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n/an/a>3.00E+4n/an/an/an/an/an/a



Westfälische Wilhelms-Universität Münster

Curated by ChEMBL


Assay Description
5-LO inhibitory activity was determined by inhibition of LTB4 biosynthesis in bovine polymorphonuclear leukocytes (PMNL)


J Med Chem 40: 3773-80 (1997)


Article DOI: 10.1021/jm970292n
BindingDB Entry DOI: 10.7270/Q20R9NJN
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM11318
PNG
(1,3,8-trihydroxy-6-methyl-9,10-dihydroanthracene-9...)
Show SMILES Cc1cc(O)c2C(=O)c3c(O)cc(O)cc3C(=O)c2c1
Show InChI InChI=1S/C15H10O5/c1-6-2-8-12(10(17)3-6)15(20)13-9(14(8)19)4-7(16)5-11(13)18/h2-5,16-18H,1H3
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n/an/a 5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of p56 lck


J Nat Prod 55: 1529-1560 (1992)


Article DOI: 10.1021/np50089a001
BindingDB Entry DOI: 10.7270/Q2J966CC
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50005886
PNG
(1,8-Dihydroxy-3-methoxy-6-methylanthraquinone | 1,...)
Show SMILES COc1cc(O)c2C(=O)c3c(O)cc(C)cc3C(=O)c2c1
Show InChI InChI=1S/C16H12O5/c1-7-3-9-13(11(17)4-7)16(20)14-10(15(9)19)5-8(21-2)6-12(14)18/h3-6,17-18H,1-2H3
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n/an/a>8n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of p56 lck


J Nat Prod 55: 1529-1560 (1992)


Article DOI: 10.1021/np50089a001
BindingDB Entry DOI: 10.7270/Q2J966CC
More data for this
Ligand-Target Pair
Thioredoxin reductase 1, cytoplasmic


(Rattus norvegicus)
BDBM50455992
PNG
(CHEBI:3687 | CHRYSOPHANOL | Chrysophanol)
Show SMILES Cc1cc(O)c2C(=O)c3c(O)cccc3C(=O)c2c1
Show InChI InChI=1S/C15H10O4/c1-7-5-9-13(11(17)6-7)15(19)12-8(14(9)18)3-2-4-10(12)16/h2-6,16-17H,1H3
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n/an/a 1.94E+5n/an/an/an/an/an/a



University of Padova

Curated by ChEMBL


Assay Description
Inhibition of rat liver cytosolic TrxR1 by spectrophotometry


Bioorg Med Chem 19: 631-41 (2011)


Article DOI: 10.1016/j.bmc.2010.10.045
BindingDB Entry DOI: 10.7270/Q25D8S4N
More data for this
Ligand-Target Pair
Thioredoxin reductase 2, mitochondrial


(Rattus norvegicus)
BDBM50455992
PNG
(CHEBI:3687 | CHRYSOPHANOL | Chrysophanol)
Show SMILES Cc1cc(O)c2C(=O)c3c(O)cccc3C(=O)c2c1
Show InChI InChI=1S/C15H10O4/c1-7-5-9-13(11(17)6-7)15(19)12-8(14(9)18)3-2-4-10(12)16/h2-6,16-17H,1H3
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n/an/a 1.81E+5n/an/an/an/an/an/a



University of Padova

Curated by ChEMBL


Assay Description
Inhibition of rat liver mitochondrial TrxR2 by spectrophotometry


Bioorg Med Chem 19: 631-41 (2011)


Article DOI: 10.1016/j.bmc.2010.10.045
BindingDB Entry DOI: 10.7270/Q25D8S4N
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM11318
PNG
(1,3,8-trihydroxy-6-methyl-9,10-dihydroanthracene-9...)
Show SMILES Cc1cc(O)c2C(=O)c3c(O)cc(O)cc3C(=O)c2c1
Show InChI InChI=1S/C15H10O5/c1-6-2-8-12(10(17)3-6)15(20)13-9(14(8)19)4-7(16)5-11(13)18/h2-5,16-18H,1H3
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n/an/a 3.64E+4n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of sEH (unknown origin) assessed as 6-methoxy-2-naphthaldehyde formation by fluorometry assay using 40 uM cyano-(6-methoxy-naphthalen-2-yl...


Bioorg Med Chem Lett 25: 5097-101 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.014
BindingDB Entry DOI: 10.7270/Q2M61N3V
More data for this
Ligand-Target Pair
Casein kinase II alpha


(Homo sapiens (Human))
BDBM11318
PNG
(1,3,8-trihydroxy-6-methyl-9,10-dihydroanthracene-9...)
Show SMILES Cc1cc(O)c2C(=O)c3c(O)cc(O)cc3C(=O)c2c1
Show InChI InChI=1S/C15H10O5/c1-6-2-8-12(10(17)3-6)15(20)13-9(14(8)19)4-7(16)5-11(13)18/h2-5,16-18H,1H3
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n/an/a 2.00E+3n/an/an/an/an/an/a



Osaka Prefecture University

Curated by ChEMBL


Assay Description
Inhibition of GST-fused human recombinant CK2alpha expressed in Escherichia coli HMS174 (DE3)


Bioorg Med Chem Lett 19: 2920-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.076
BindingDB Entry DOI: 10.7270/Q25B02CC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM11318
PNG
(1,3,8-trihydroxy-6-methyl-9,10-dihydroanthracene-9...)
Show SMILES Cc1cc(O)c2C(=O)c3c(O)cc(O)cc3C(=O)c2c1
Show InChI InChI=1S/C15H10O5/c1-6-2-8-12(10(17)3-6)15(20)13-9(14(8)19)4-7(16)5-11(13)18/h2-5,16-18H,1H3
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n/an/a 2.50E+3n/an/an/an/an/an/a



Xavier University of Louisiana

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Pim1


Bioorg Med Chem Lett 26: 3187-91 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.079
BindingDB Entry DOI: 10.7270/Q2FQ9ZJ2
More data for this
Ligand-Target Pair
Sialidase 2


(Homo sapiens (Human))
BDBM11318
PNG
(1,3,8-trihydroxy-6-methyl-9,10-dihydroanthracene-9...)
Show SMILES Cc1cc(O)c2C(=O)c3c(O)cc(O)cc3C(=O)c2c1
Show InChI InChI=1S/C15H10O5/c1-6-2-8-12(10(17)3-6)15(20)13-9(14(8)19)4-7(16)5-11(13)18/h2-5,16-18H,1H3
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n/an/a 7.60E+5n/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of human Neu2 assessed as MuNANA substrate hydrolysis in presence of 0.1% Triton X-100 by discontinuous fluorimetric assay


Bioorg Med Chem 18: 1633-40 (2010)


Article DOI: 10.1016/j.bmc.2009.12.062
BindingDB Entry DOI: 10.7270/Q26110F1
More data for this
Ligand-Target Pair
Sialidase 2


(Homo sapiens (Human))
BDBM11316
PNG
(1,8-dihydroxy-9,10-dihydroanthracene-9,10-dione | ...)
Show SMILES Oc1cccc2C(=O)c3cccc(O)c3C(=O)c12
Show InChI InChI=1S/C14H8O4/c15-9-5-1-3-7-11(9)14(18)12-8(13(7)17)4-2-6-10(12)16/h1-6,15-16H
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n/an/a>1.00E+6n/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of human Neu2 assessed as MuNANA substrate hydrolysis in presence of 0.1% Triton X-100 by discontinuous fluorimetric assay


Bioorg Med Chem 18: 1633-40 (2010)


Article DOI: 10.1016/j.bmc.2009.12.062
BindingDB Entry DOI: 10.7270/Q26110F1
More data for this
Ligand-Target Pair
Thioredoxin reductase 1, cytoplasmic


(Rattus norvegicus)
BDBM50005886
PNG
(1,8-Dihydroxy-3-methoxy-6-methylanthraquinone | 1,...)
Show SMILES COc1cc(O)c2C(=O)c3c(O)cc(C)cc3C(=O)c2c1
Show InChI InChI=1S/C16H12O5/c1-7-3-9-13(11(17)4-7)16(20)14-10(15(9)19)5-8(21-2)6-12(14)18/h3-6,17-18H,1-2H3
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n/an/a 1.85E+5n/an/an/an/an/an/a



University of Padova

Curated by ChEMBL


Assay Description
Inhibition of rat liver cytosolic TrxR1 by spectrophotometry


Bioorg Med Chem 19: 631-41 (2011)


Article DOI: 10.1016/j.bmc.2010.10.045
BindingDB Entry DOI: 10.7270/Q25D8S4N
More data for this
Ligand-Target Pair
Thioredoxin reductase 2, mitochondrial


(Rattus norvegicus)
BDBM11316
PNG
(1,8-dihydroxy-9,10-dihydroanthracene-9,10-dione | ...)
Show SMILES Oc1cccc2C(=O)c3cccc(O)c3C(=O)c12
Show InChI InChI=1S/C14H8O4/c15-9-5-1-3-7-11(9)14(18)12-8(13(7)17)4-2-6-10(12)16/h1-6,15-16H
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n/an/a>2.00E+5n/an/an/an/an/an/a



University of Padova

Curated by ChEMBL


Assay Description
Inhibition of rat liver mitochondrial TrxR2 by spectrophotometry


Bioorg Med Chem 19: 631-41 (2011)


Article DOI: 10.1016/j.bmc.2010.10.045
BindingDB Entry DOI: 10.7270/Q25D8S4N
More data for this
Ligand-Target Pair
Thioredoxin reductase 2, mitochondrial


(Rattus norvegicus)
BDBM50005886
PNG
(1,8-Dihydroxy-3-methoxy-6-methylanthraquinone | 1,...)
Show SMILES COc1cc(O)c2C(=O)c3c(O)cc(C)cc3C(=O)c2c1
Show InChI InChI=1S/C16H12O5/c1-7-3-9-13(11(17)4-7)16(20)14-10(15(9)19)5-8(21-2)6-12(14)18/h3-6,17-18H,1-2H3
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n/an/a 1.32E+5n/an/an/an/an/an/a



University of Padova

Curated by ChEMBL


Assay Description
Inhibition of rat liver mitochondrial TrxR2 by spectrophotometry


Bioorg Med Chem 19: 631-41 (2011)


Article DOI: 10.1016/j.bmc.2010.10.045
BindingDB Entry DOI: 10.7270/Q25D8S4N
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 4A3


(Homo sapiens (Human))
BDBM11318
PNG
(1,3,8-trihydroxy-6-methyl-9,10-dihydroanthracene-9...)
Show SMILES Cc1cc(O)c2C(=O)c3c(O)cc(O)cc3C(=O)c2c1
Show InChI InChI=1S/C15H10O5/c1-6-2-8-12(10(17)3-6)15(20)13-9(14(8)19)4-7(16)5-11(13)18/h2-5,16-18H,1H3
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n/an/a 3.50E+3n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of PRL3 after 1 hr by DiFMUP assay


Bioorg Med Chem Lett 22: 323-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.008
BindingDB Entry DOI: 10.7270/Q2K074QM
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 4A3


(Homo sapiens (Human))
BDBM11318
PNG
(1,3,8-trihydroxy-6-methyl-9,10-dihydroanthracene-9...)
Show SMILES Cc1cc(O)c2C(=O)c3c(O)cc(O)cc3C(=O)c2c1
Show InChI InChI=1S/C15H10O5/c1-6-2-8-12(10(17)3-6)15(20)13-9(14(8)19)4-7(16)5-11(13)18/h2-5,16-18H,1H3
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n/an/a 2.80E+4n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of PRL-3-mediated cell migration in human DLD1 cells after 15 hrs by crystal violet staining based microscopic assay


Bioorg Med Chem Lett 22: 323-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.008
BindingDB Entry DOI: 10.7270/Q2K074QM
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 4A3


(Homo sapiens (Human))
BDBM11318
PNG
(1,3,8-trihydroxy-6-methyl-9,10-dihydroanthracene-9...)
Show SMILES Cc1cc(O)c2C(=O)c3c(O)cc(O)cc3C(=O)c2c1
Show InChI InChI=1S/C15H10O5/c1-6-2-8-12(10(17)3-6)15(20)13-9(14(8)19)4-7(16)5-11(13)18/h2-5,16-18H,1H3
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n/an/a 3.50E+4n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of PRL-3-mediated cell invasion in human DLD1 cells after 20 hrs using crystal violet staining by Matrigel invasion assay


Bioorg Med Chem Lett 22: 323-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.008
BindingDB Entry DOI: 10.7270/Q2K074QM
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM11318
PNG
(1,3,8-trihydroxy-6-methyl-9,10-dihydroanthracene-9...)
Show SMILES Cc1cc(O)c2C(=O)c3c(O)cc(O)cc3C(=O)c2c1
Show InChI InChI=1S/C15H10O5/c1-6-2-8-12(10(17)3-6)15(20)13-9(14(8)19)4-7(16)5-11(13)18/h2-5,16-18H,1H3
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n/an/a 2.70E+3n/an/an/an/an/an/a



Kyoto Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of binding of 17 beta-estradiol to human Estrogen receptor alpha


Bioorg Med Chem Lett 11: 1839-42 (2001)


Article DOI: 10.1016/s0960-894x(01)00318-3
BindingDB Entry DOI: 10.7270/Q29P325H
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50005882
PNG
(1,8-Dihydroxy-2-propyl-anthraquinone | CHEMBL40292)
Show SMILES CCCc1ccc2C(=O)c3cccc(O)c3C(=O)c2c1O
Show InChI InChI=1S/C17H14O4/c1-2-4-9-7-8-11-14(15(9)19)17(21)13-10(16(11)20)5-3-6-12(13)18/h3,5-8,18-19H,2,4H2,1H3
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n/an/a 4.20E+3n/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
In vitro inhibition of human leukocyte elastase.


J Med Chem 35: 1597-605 (1992)


Article DOI: 10.1021/jm00087a014
BindingDB Entry DOI: 10.7270/Q2QN67D7
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50005886
PNG
(1,8-Dihydroxy-3-methoxy-6-methylanthraquinone | 1,...)
Show SMILES COc1cc(O)c2C(=O)c3c(O)cc(C)cc3C(=O)c2c1
Show InChI InChI=1S/C16H12O5/c1-7-3-9-13(11(17)4-7)16(20)14-10(15(9)19)5-8(21-2)6-12(14)18/h3-6,17-18H,1-2H3
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n/an/a 6.20E+3n/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Compound was tested for the enzyme inhibitory activity against Human Leukocyte Elastase (HLE) at 65 uM concentration


J Med Chem 35: 1597-605 (1992)


Article DOI: 10.1021/jm00087a014
BindingDB Entry DOI: 10.7270/Q2QN67D7
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens (Human))
BDBM50005890
PNG
(1,8-Dihydroxy-2-methyl-anthraquinone | CHEMBL40849)
Show SMILES Cc1ccc2C(=O)c3cccc(O)c3C(=O)c2c1O
Show InChI InChI=1S/C15H10O4/c1-7-5-6-9-12(13(7)17)15(19)11-8(14(9)18)3-2-4-10(11)16/h2-6,16-17H,1H3
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n/an/a 5.50E+4n/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibition of Cathepsin G (CatG)


J Med Chem 35: 1597-605 (1992)


Article DOI: 10.1021/jm00087a014
BindingDB Entry DOI: 10.7270/Q2QN67D7
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens (Human))
BDBM50005882
PNG
(1,8-Dihydroxy-2-propyl-anthraquinone | CHEMBL40292)
Show SMILES CCCc1ccc2C(=O)c3cccc(O)c3C(=O)c2c1O
Show InChI InChI=1S/C17H14O4/c1-2-4-9-7-8-11-14(15(9)19)17(21)13-10(16(11)20)5-3-6-12(13)18/h3,5-8,18-19H,2,4H2,1H3
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n/an/a 2.50E+4n/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibition of Cathepsin G (CatG)


J Med Chem 35: 1597-605 (1992)


Article DOI: 10.1021/jm00087a014
BindingDB Entry DOI: 10.7270/Q2QN67D7
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50005899
PNG
(1-Hydroxy-6,8-dimethoxy-2-methyl-anthraquinone | C...)
Show SMILES COc1cc(OC)c2C(=O)c3c(O)c(C)ccc3C(=O)c2c1
Show InChI InChI=1S/C17H14O5/c1-8-4-5-10-14(15(8)18)17(20)13-11(16(10)19)6-9(21-2)7-12(13)22-3/h4-7,18H,1-3H3
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n/an/a 1.30E+4n/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Compound was tested for the enzyme inhibitory activity against Human Leukocyte Elastase (HLE) at 27 uM concentration


J Med Chem 35: 1597-605 (1992)


Article DOI: 10.1021/jm00087a014
BindingDB Entry DOI: 10.7270/Q2QN67D7
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50005901
PNG
(1-Hydroxy-2-methyl-anthraquinone | 1-hydroxy-2-met...)
Show SMILES Cc1ccc2C(=O)c3ccccc3C(=O)c2c1O
Show InChI InChI=1S/C15H10O3/c1-8-6-7-11-12(13(8)16)15(18)10-5-3-2-4-9(10)14(11)17/h2-7,16H,1H3
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n/an/a 1.10E+4n/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Compound was tested for the enzyme inhibitory activity against Human Leukocyte elastase


J Med Chem 35: 1597-605 (1992)


Article DOI: 10.1021/jm00087a014
BindingDB Entry DOI: 10.7270/Q2QN67D7
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50005902
PNG
(2-Benzyl-1-hydroxy-anthraquinone | CHEMBL43177)
Show SMILES Oc1c(Cc2ccccc2)ccc2C(=O)c3ccccc3C(=O)c12
Show InChI InChI=1S/C21H14O3/c22-19-14(12-13-6-2-1-3-7-13)10-11-17-18(19)21(24)16-9-5-4-8-15(16)20(17)23/h1-11,22H,12H2
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n/an/a 6.60E+3n/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Compound was tested for the enzyme inhibitory activity against Human Leukocyte elastase


J Med Chem 35: 1597-605 (1992)


Article DOI: 10.1021/jm00087a014
BindingDB Entry DOI: 10.7270/Q2QN67D7
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens (Human))
BDBM50005901
PNG
(1-Hydroxy-2-methyl-anthraquinone | 1-hydroxy-2-met...)
Show SMILES Cc1ccc2C(=O)c3ccccc3C(=O)c2c1O
Show InChI InChI=1S/C15H10O3/c1-8-6-7-11-12(13(8)16)15(18)10-5-3-2-4-9(10)14(11)17/h2-7,16H,1H3
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n/an/a>6.00E+4n/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Compound was tested for the enzyme inhibitory activity against Cathepsin G


J Med Chem 35: 1597-605 (1992)


Article DOI: 10.1021/jm00087a014
BindingDB Entry DOI: 10.7270/Q2QN67D7
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50005890
PNG
(1,8-Dihydroxy-2-methyl-anthraquinone | CHEMBL40849)
Show SMILES Cc1ccc2C(=O)c3cccc(O)c3C(=O)c2c1O
Show InChI InChI=1S/C15H10O4/c1-7-5-6-9-12(13(7)17)15(19)11-8(14(9)18)3-2-4-10(11)16/h2-6,16-17H,1H3
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n/an/a 9.90E+3n/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
In vitro inhibition of human leukocyte elastase.


J Med Chem 35: 1597-605 (1992)


Article DOI: 10.1021/jm00087a014
BindingDB Entry DOI: 10.7270/Q2QN67D7
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM11318
PNG
(1,3,8-trihydroxy-6-methyl-9,10-dihydroanthracene-9...)
Show SMILES Cc1cc(O)c2C(=O)c3c(O)cc(O)cc3C(=O)c2c1
Show InChI InChI=1S/C15H10O5/c1-6-2-8-12(10(17)3-6)15(20)13-9(14(8)19)4-7(16)5-11(13)18/h2-5,16-18H,1H3
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n/an/a 5.20E+4n/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Compound was tested for the enzyme inhibitory activity against Human Leukocyte Elastase (HLE) at 53 uM concentration


J Med Chem 35: 1597-605 (1992)


Article DOI: 10.1021/jm00087a014
BindingDB Entry DOI: 10.7270/Q2QN67D7
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50005912
PNG
(2-Benzyl-1,8-dihydroxy-anthraquinone | CHEMBL41525)
Show SMILES Oc1cccc2C(=O)c3ccc(Cc4ccccc4)c(O)c3C(=O)c12
Show InChI InChI=1S/C21H14O4/c22-16-8-4-7-14-17(16)21(25)18-15(20(14)24)10-9-13(19(18)23)11-12-5-2-1-3-6-12/h1-10,22-23H,11H2
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n/an/a 1.30E+4n/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
In vitro inhibition of human leukocyte elastase.


J Med Chem 35: 1597-605 (1992)


Article DOI: 10.1021/jm00087a014
BindingDB Entry DOI: 10.7270/Q2QN67D7
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens (Human))
BDBM50005912
PNG
(2-Benzyl-1,8-dihydroxy-anthraquinone | CHEMBL41525)
Show SMILES Oc1cccc2C(=O)c3ccc(Cc4ccccc4)c(O)c3C(=O)c12
Show InChI InChI=1S/C21H14O4/c22-16-8-4-7-14-17(16)21(25)18-15(20(14)24)10-9-13(19(18)23)11-12-5-2-1-3-6-12/h1-10,22-23H,11H2
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n/an/a 5.60E+4n/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibition of Cathepsin G (CatG)


J Med Chem 35: 1597-605 (1992)


Article DOI: 10.1021/jm00087a014
BindingDB Entry DOI: 10.7270/Q2QN67D7
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50041419
PNG
(1,2,5,8-tetrahydroxy-9,10-anthracenedione | 1,2,5,...)
Show SMILES Oc1ccc2C(=O)c3c(O)ccc(O)c3C(=O)c2c1O
Show InChI InChI=1S/C14H8O6/c15-6-3-4-7(16)11-10(6)12(18)5-1-2-8(17)13(19)9(5)14(11)20/h1-4,15-17,19H
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n/an/a 4.00E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase, under 1 uM for the 3''-preprocessing


J Med Chem 43: 2100-14 (2000)


Article DOI: 10.1021/jm990322h
BindingDB Entry DOI: 10.7270/Q27D2VTS
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50041419
PNG
(1,2,5,8-tetrahydroxy-9,10-anthracenedione | 1,2,5,...)
Show SMILES Oc1ccc2C(=O)c3c(O)ccc(O)c3C(=O)c2c1O
Show InChI InChI=1S/C14H8O6/c15-6-3-4-7(16)11-10(6)12(18)5-1-2-8(17)13(19)9(5)14(11)20/h1-4,15-17,19H
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n/an/a 1.00E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Tested for inhibition of HIV-1 integrase, under 1 uM for the strand transfer


J Med Chem 43: 2100-14 (2000)


Article DOI: 10.1021/jm990322h
BindingDB Entry DOI: 10.7270/Q27D2VTS
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM11318
PNG
(1,3,8-trihydroxy-6-methyl-9,10-dihydroanthracene-9...)
Show SMILES Cc1cc(O)c2C(=O)c3c(O)cc(O)cc3C(=O)c2c1
Show InChI InChI=1S/C15H10O5/c1-6-2-8-12(10(17)3-6)15(20)13-9(14(8)19)4-7(16)5-11(13)18/h2-5,16-18H,1H3
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n/an/a 5.20E+3n/an/an/an/an/an/a



Kyoto Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of binding of 17 beta-estradiol to human Estrogen receptor alpha


Bioorg Med Chem Lett 11: 1839-42 (2001)


Article DOI: 10.1016/s0960-894x(01)00318-3
BindingDB Entry DOI: 10.7270/Q29P325H
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM11318
PNG
(1,3,8-trihydroxy-6-methyl-9,10-dihydroanthracene-9...)
Show SMILES Cc1cc(O)c2C(=O)c3c(O)cc(O)cc3C(=O)c2c1
Show InChI InChI=1S/C15H10O5/c1-6-2-8-12(10(17)3-6)15(20)13-9(14(8)19)4-7(16)5-11(13)18/h2-5,16-18H,1H3
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n/an/a 2.69E+3n/an/an/an/an/an/a



University of Colorado

Curated by ChEMBL


Assay Description
Inhibition of human recombinant aldose reductase expressed in Escherichia coli using DL-glyceraldehyde as substrate in presence of NADPH by spectroph...


J Nat Prod 79: 1439-44 (2016)


Article DOI: 10.1021/acs.jnatprod.6b00185
BindingDB Entry DOI: 10.7270/Q2CN75T2
More data for this
Ligand-Target Pair
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