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2 similar compounds to monomer 50094893

Compile data set for download or QSAR
Wt: 270.2
BDBM11315
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Wt: 253.2
BDBM50306771
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 11315,50306771   
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
Casein Kinase II


(Zea mays (Maize))
BDBM11315
PNG
(1,4-diamino-5,8-dihydroxy-9,10-dihydroanthracene-9...)
Show SMILES Nc1ccc(N)c2C(=O)c3c(O)ccc(O)c3C(=O)c12
Show InChI InChI=1S/C14H10N2O4/c15-5-1-2-6(16)10-9(5)13(19)11-7(17)3-4-8(18)12(11)14(10)20/h1-4,17-18H,15-16H2
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PDB
Article
PubMed
350 -8.71n/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)
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50306771
PNG
(1-amino-4-methoxyanthracene-9,10-dione | CHEMBL600...)
Show SMILES COc1ccc(N)c2C(=O)c3ccccc3C(=O)c12
Show InChI InChI=1S/C15H11NO3/c1-19-11-7-6-10(16)12-13(11)15(18)9-5-3-2-4-8(9)14(12)17/h2-7H,16H2,1H3
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Article
PubMed
530n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human adenosine 2A receptor


J Med Chem 53: 1799-809 (2010)


Article DOI: 10.1021/jm901647p
BindingDB Entry DOI: 10.7270/Q20P1037
More data for this
Ligand-Target Pair
Chain E, Fragment Double-D From Human Fibrin


(Homo sapiens (Human))
BDBM50306771
PNG
(1-amino-4-methoxyanthracene-9,10-dione | CHEMBL600...)
Show SMILES COc1ccc(N)c2C(=O)c3ccccc3C(=O)c12
Show InChI InChI=1S/C15H11NO3/c1-19-11-7-6-10(16)12-13(11)15(18)9-5-3-2-4-8(9)14(12)17/h2-7H,16H2,1H3
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PCBioAssay
n/an/a 8.32E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: Harvard Medical School/Massachuset...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2R49PFB
More data for this
Ligand-Target Pair
Chain E, Fragment Double-D From Human Fibrin


(Homo sapiens (Human))
BDBM50306771
PNG
(1-amino-4-methoxyanthracene-9,10-dione | CHEMBL600...)
Show SMILES COc1ccc(N)c2C(=O)c3ccccc3C(=O)c12
Show InChI InChI=1S/C15H11NO3/c1-19-11-7-6-10(16)12-13(11)15(18)9-5-3-2-4-8(9)14(12)17/h2-7H,16H2,1H3
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PCBioAssay
n/an/a 4.98E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: Harvard Medical School/Massachuset...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2VX0F59
More data for this
Ligand-Target Pair
Hsf1 protein


(Mus musculus)
BDBM50306771
PNG
(1-amino-4-methoxyanthracene-9,10-dione | CHEMBL600...)
Show SMILES COc1ccc(N)c2C(=O)c3ccccc3C(=O)c12
Show InChI InChI=1S/C15H11NO3/c1-19-11-7-6-10(16)12-13(11)15(18)9-5-3-2-4-8(9)14(12)17/h2-7H,16H2,1H3
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PCBioAssay
n/an/an/an/a>2.60E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Confirmation testing of small molecules identifie...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2P55KXK
More data for this
Ligand-Target Pair
Probable global transcription activator SNF2L2


(Homo sapiens (Human))
BDBM50306771
PNG
(1-amino-4-methoxyanthracene-9,10-dione | CHEMBL600...)
Show SMILES COc1ccc(N)c2C(=O)c3ccccc3C(=O)c12
Show InChI InChI=1S/C15H11NO3/c1-19-11-7-6-10(16)12-13(11)15(18)9-5-3-2-4-8(9)14(12)17/h2-7H,16H2,1H3
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n/an/an/an/a 9.11E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2GF0S4R
More data for this
Ligand-Target Pair