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17 similar compounds to monomer 50005899

Compile data set for download or QSAR
Wt: 270.2
BDBM11318
Purchase
Wt: 284.2
BDBM50005886
Purchase
Wt: 296.3
BDBM50005892
Wt: 294.3
BDBM50005893
Wt: 312.3
BDBM50005898
Wt: 470.1
BDBM50005910
Wt: 344.3
BDBM50005915
Wt: 270.2
BDBM50005904
Wt: 268.2
BDBM50005909
Purchase
Wt: 252.2
BDBM50005911
Wt: 376.4
BDBM50041785
Wt: 360.3
BDBM50041794
Wt: 376.4
BDBM50041797
Wt: 346.3
BDBM50041810
Wt: 270.2
BDBM50363477
Purchase
Displayed 1 to 15 (of 17 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 44 hits for monomerid = 11318,50005886,50005892,50005893,50005898,50005910,50005915,50005904,50005909,50005911,50041785,50041794,50041797,50041810,50363477   
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
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


(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)
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)
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))
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
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
Arachidonate 5-lipoxygenase


(Bos taurus)
BDBM50041797
PNG
(3-(2,4-Dimethoxy-benzyl)-1,8-dihydroxy-10H-anthrac...)
Show SMILES COc1ccc(Cc2cc(O)c3C(=O)c4c(O)cccc4Cc3c2)c(OC)c1
Show InChI InChI=1S/C23H20O5/c1-27-17-7-6-14(20(12-17)28-2)8-13-9-16-11-15-4-3-5-18(24)21(15)23(26)22(16)19(25)10-13/h3-7,9-10,12,24-25H,8,11H2,1-2H3
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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
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
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
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))
BDBM50363477
PNG
(CHEMBL1944921)
Show SMILES COc1cccc2C(=O)c3c(O)ccc(O)c3C(=O)c12
Show InChI InChI=1S/C15H10O5/c1-20-10-4-2-3-7-11(10)15(19)13-9(17)6-5-8(16)12(13)14(7)18/h2-6,16-17H,1H3
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n/an/a 1.16E+4n/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
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
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)
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 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
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50363477
PNG
(CHEMBL1944921)
Show SMILES COc1cccc2C(=O)c3c(O)ccc(O)c3C(=O)c12
Show InChI InChI=1S/C15H10O5/c1-20-10-4-2-3-7-11(10)15(19)13-9(17)6-5-8(16)12(13)14(7)18/h2-6,16-17H,1H3
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n/an/a 4.30E+3n/an/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Inhibition of wild-type EGFR expressed using baculovirus expression system by ELISA


Bioorg Med Chem Lett 22: 1365-70 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.067
BindingDB Entry DOI: 10.7270/Q21836ZV
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))
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
Leukocyte elastase


(Homo sapiens (Human))
BDBM50005892
PNG
(1-Hydroxy-8-methoxy-2-propyl-anthraquinone | CHEMB...)
Show SMILES CCCc1ccc2C(=O)c3cccc(OC)c3C(=O)c2c1O
Show InChI InChI=1S/C18H16O4/c1-3-5-10-8-9-12-15(16(10)19)18(21)14-11(17(12)20)6-4-7-13(14)22-2/h4,6-9,19H,3,5H2,1-2H3
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n/an/a 8.70E+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
Cathepsin G


(Homo sapiens (Human))
BDBM50005893
PNG
(2-Allyl-1-hydroxy-8-methoxy-anthraquinone | CHEMBL...)
Show SMILES COc1cccc2C(=O)c3ccc(CC=C)c(O)c3C(=O)c12
Show InChI InChI=1S/C18H14O4/c1-3-5-10-8-9-12-15(16(10)19)18(21)14-11(17(12)20)6-4-7-13(14)22-2/h3-4,6-9,19H,1,5H2,2H3
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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
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))
BDBM50005898
PNG
(1,8-Dihydroxy-3-methyl-6-propoxy-anthraquinone | C...)
Show SMILES CCCOc1cc(O)c2C(=O)c3c(O)cc(C)cc3C(=O)c2c1
Show InChI InChI=1S/C18H16O5/c1-3-4-23-10-7-12-16(14(20)8-10)18(22)15-11(17(12)21)5-9(2)6-13(15)19/h5-8,19-20H,3-4H2,1-2H3
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n/an/a 5.90E+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 62 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))
BDBM50005904
PNG
(1,6,8-Trihydroxy-2-methyl-anthraquinone | CHEMBL38...)
Show SMILES Cc1ccc2C(=O)c3cc(O)cc(O)c3C(=O)c2c1O
Show InChI InChI=1S/C15H10O5/c1-6-2-3-8-12(13(6)18)15(20)11-9(14(8)19)4-7(16)5-10(11)17/h2-5,16-18H,1H3
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n/an/a 2.10E+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 (HLE) at 55 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))
BDBM50005893
PNG
(2-Allyl-1-hydroxy-8-methoxy-anthraquinone | CHEMBL...)
Show SMILES COc1cccc2C(=O)c3ccc(CC=C)c(O)c3C(=O)c12
Show InChI InChI=1S/C18H14O4/c1-3-5-10-8-9-12-15(16(10)19)18(21)14-11(17(12)20)6-4-7-13(14)22-2/h3-4,6-9,19H,1,5H2,2H3
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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
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))
BDBM50005909
PNG
(1-Hydroxy-8-methoxy-2-methyl-anthraquinone | CHEMB...)
Show SMILES COc1cccc2C(=O)c3ccc(C)c(O)c3C(=O)c12
Show InChI InChI=1S/C16H12O4/c1-8-6-7-10-13(14(8)17)16(19)12-9(15(10)18)4-3-5-11(12)20-2/h3-7,17H,1-2H3
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n/an/a 1.90E+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
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))
BDBM50005911
PNG
(1-Methoxy-2-methyl-anthraquinone | CHEMBL41178)
Show SMILES COc1c(C)ccc2C(=O)c3ccccc3C(=O)c12
Show InChI InChI=1S/C16H12O3/c1-9-7-8-12-13(16(9)19-2)15(18)11-6-4-3-5-10(11)14(12)17/h3-8H,1-2H3
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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 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))
BDBM50005910
PNG
(3-Dibromomethyl-1,6,8-trimethoxy-anthraquinone | C...)
Show SMILES COc1cc(OC)c2C(=O)c3c(OC)cc(cc3C(=O)c2c1)C(Br)Br
Show InChI InChI=1S/C18H14Br2O5/c1-23-9-6-11-15(13(7-9)25-3)17(22)14-10(16(11)21)4-8(18(19)20)5-12(14)24-2/h4-7,18H,1-3H3
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n/an/a 1.70E+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 30 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))
BDBM50005892
PNG
(1-Hydroxy-8-methoxy-2-propyl-anthraquinone | CHEMB...)
Show SMILES CCCc1ccc2C(=O)c3cccc(OC)c3C(=O)c2c1O
Show InChI InChI=1S/C18H16O4/c1-3-5-10-8-9-12-15(16(10)19)18(21)14-11(17(12)20)6-4-7-13(14)22-2/h4,6-9,19H,3,5H2,1-2H3
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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
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))
BDBM50005915
PNG
(2-Benzyl-1-hydroxy-8-methoxy-anthraquinone | CHEMB...)
Show SMILES COc1cccc2C(=O)c3ccc(Cc4ccccc4)c(O)c3C(=O)c12
Show InChI InChI=1S/C22H16O4/c1-26-17-9-5-8-15-18(17)22(25)19-16(21(15)24)11-10-14(20(19)23)12-13-6-3-2-4-7-13/h2-11,23H,12H2,1H3
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n/an/a 6.70E+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
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
Arachidonate 5-lipoxygenase


(Bos taurus)
BDBM50041785
PNG
(2-(2,4-Dimethoxy-benzyl)-1,8-dihydroxy-10H-anthrac...)
Show SMILES COc1ccc(Cc2ccc3Cc4cccc(O)c4C(=O)c3c2O)c(OC)c1
Show InChI InChI=1S/C23H20O5/c1-27-17-9-8-13(19(12-17)28-2)10-16-7-6-15-11-14-4-3-5-18(24)20(14)23(26)21(15)22(16)25/h3-9,12,24-25H,10-11H2,1-2H3
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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)
BDBM50041810
PNG
(1,8-Dihydroxy-2-(4-methoxy-benzyl)-10H-anthracen-9...)
Show SMILES COc1ccc(Cc2ccc3Cc4cccc(O)c4C(=O)c3c2O)cc1
Show InChI InChI=1S/C22H18O4/c1-26-17-9-5-13(6-10-17)11-16-8-7-15-12-14-3-2-4-18(23)19(14)22(25)20(15)21(16)24/h2-10,23-24H,11-12H2,1H3
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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)
BDBM50041794
PNG
(1,8-Dihydroxy-3-(4-methoxy-benzoyl)-10H-anthracen-...)
Show SMILES COc1ccc(cc1)C(=O)c1cc(O)c2C(=O)c3c(O)cccc3Cc2c1
Show InChI InChI=1S/C22H16O5/c1-27-16-7-5-12(6-8-16)21(25)15-10-14-9-13-3-2-4-17(23)19(13)22(26)20(14)18(24)11-15/h2-8,10-11,23-24H,9H2,1H3
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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
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
Human rhinovirus A protease


(Human rhinovirus B)
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
MMDB

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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
beta-Hydroxyacyl-acyl carrier protein dehydratase (FtFabZ)


(Francisella tularensis)
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 4.31E+4n/an/an/an/a7.025



Brookhaven National Laboratory



Assay Description
The enzymatic activities of FtFabZ and YpFabZ were determined via the reportedspectrophotometric method using the substrate analogue crotonoyl-CoA.7 ...


Biochemistry 55: 1091-9 (2016)


Article DOI: 10.1021/acs.biochem.5b00832
BindingDB Entry DOI: 10.7270/Q2CN72P1
More data for this
Ligand-Target Pair
beta-Hydroxyacyl-acyl carrier protein dehydratase (YpFabZ)


(Yersinia pestis)
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 2.97E+4n/an/an/an/a7.025



Brookhaven National Laboratory



Assay Description
The enzymatic activities of FtFabZ and YpFabZ were determined via the reportedspectrophotometric method using the substrate analogue crotonoyl-CoA.7 ...


Biochemistry 55: 1091-9 (2016)


Article DOI: 10.1021/acs.biochem.5b00832
BindingDB Entry DOI: 10.7270/Q2CN72P1
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
PDB
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NCI pathway
KEGG

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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