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Compile Data Set for Download or QSAR

Found 17 hits of ic50 for monomerid = 25525   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Acetylcholinesterase


(Homo sapiens (Human))
BDBM25525
PNG
(24-methyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11...)
Show SMILES C[n+]1cc2c3OCOc3ccc2c2ccc3cc4OCOc4cc3c12
Show InChI InChI=1S/C20H14NO4/c1-21-8-15-12(4-5-16-20(15)25-10-22-16)13-3-2-11-6-17-18(24-9-23-17)7-14(11)19(13)21/h2-8H,9-10H2,1H3/q+1
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n/an/a 1.22E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of AChE (unknown origin) preincubated for 30 mins followed by substrate addition acetylthiocholineiodide measured after 40 mins by Ellman'...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112415
BindingDB Entry DOI: 10.7270/Q27P9344
More data for this
Ligand-Target Pair
Cell division protein FtsZ


(Escherichia coli)
BDBM25525
PNG
(24-methyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11...)
Show SMILES C[n+]1cc2c3OCOc3ccc2c2ccc3cc4OCOc4cc3c12
Show InChI InChI=1S/C20H14NO4/c1-21-8-15-12(4-5-16-20(15)25-10-22-16)13-3-2-11-6-17-18(24-9-23-17)7-14(11)19(13)21/h2-8H,9-10H2,1H3/q+1
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n/an/a 3.00E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Cell division protein FtsZ


(Bacillus subtilis)
BDBM25525
PNG
(24-methyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11...)
Show SMILES C[n+]1cc2c3OCOc3ccc2c2ccc3cc4OCOc4cc3c12
Show InChI InChI=1S/C20H14NO4/c1-21-8-15-12(4-5-16-20(15)25-10-22-16)13-3-2-11-6-17-18(24-9-23-17)7-14(11)19(13)21/h2-8H,9-10H2,1H3/q+1
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n/an/a 3.00E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of FtsZ in Bacillus subtilis assessed as disruption of Z ring formation


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113480
BindingDB Entry DOI: 10.7270/Q2474FP4
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM25525
PNG
(24-methyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11...)
Show SMILES C[n+]1cc2c3OCOc3ccc2c2ccc3cc4OCOc4cc3c12
Show InChI InChI=1S/C20H14NO4/c1-21-8-15-12(4-5-16-20(15)25-10-22-16)13-3-2-11-6-17-18(24-9-23-17)7-14(11)19(13)21/h2-8H,9-10H2,1H3/q+1
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n/an/a 7.08E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of BuChE (unknown origin) preincubated for 30 mins followed by substrate addition acetylthiocholineiodide measured after 40 mins by Ellman...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112415
BindingDB Entry DOI: 10.7270/Q27P9344
More data for this
Ligand-Target Pair
Regulator of G-protein signaling 17


(Homo sapiens)
BDBM25525
PNG
(24-methyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11...)
Show SMILES C[n+]1cc2c3OCOc3ccc2c2ccc3cc4OCOc4cc3c12
Show InChI InChI=1S/C20H14NO4/c1-21-8-15-12(4-5-16-20(15)25-10-22-16)13-3-2-11-6-17-18(24-9-23-17)7-14(11)19(13)21/h2-8H,9-10H2,1H3/q+1
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n/an/a 1.20E+4n/an/an/an/an/an/a



University of Iowa

Curated by ChEMBL


Assay Description
Inhibition of RGS17 (unknown origin) GAP activity in presence of GTP by malachite green dye based assay


J Nat Prod 80: 1992-2000 (2017)


Article DOI: 10.1021/acs.jnatprod.7b00112
BindingDB Entry DOI: 10.7270/Q2RB777K
More data for this
Ligand-Target Pair
Cell division protein FtsZ


(Escherichia coli)
BDBM25525
PNG
(24-methyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11...)
Show SMILES C[n+]1cc2c3OCOc3ccc2c2ccc3cc4OCOc4cc3c12
Show InChI InChI=1S/C20H14NO4/c1-21-8-15-12(4-5-16-20(15)25-10-22-16)13-3-2-11-6-17-18(24-9-23-17)7-14(11)19(13)21/h2-8H,9-10H2,1H3/q+1
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n/an/a 1.38E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of FtsZ in Escherichia coli assessed as disruption of Z ring formation


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113480
BindingDB Entry DOI: 10.7270/Q2474FP4
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM25525
PNG
(24-methyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11...)
Show SMILES C[n+]1cc2c3OCOc3ccc2c2ccc3cc4OCOc4cc3c12
Show InChI InChI=1S/C20H14NO4/c1-21-8-15-12(4-5-16-20(15)25-10-22-16)13-3-2-11-6-17-18(24-9-23-17)7-14(11)19(13)21/h2-8H,9-10H2,1H3/q+1
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n/an/a 1.90E+4n/an/an/an/a8.022



A*STAR



Assay Description
In the fluorescence polarization assay, the Bcl-XL protein is incubated with a fluorescein-tagged Bak-BH3 peptide. The Bcl-XL:Bak-BH3 peptide complex...


J Med Chem 51: 6699-710 (2008)


Article DOI: 10.1021/jm8005433
BindingDB Entry DOI: 10.7270/Q25M641R
More data for this
Ligand-Target Pair
Fibrinogen beta chain [164-491]


(Homo sapiens (Human))
BDBM25525
PNG
(24-methyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11...)
Show SMILES C[n+]1cc2c3OCOc3ccc2c2ccc3cc4OCOc4cc3c12
Show InChI InChI=1S/C20H14NO4/c1-21-8-15-12(4-5-16-20(15)25-10-22-16)13-3-2-11-6-17-18(24-9-23-17)7-14(11)19(13)21/h2-8H,9-10H2,1H3/q+1
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n/an/a 2.42E+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/Q2VX0F59
More data for this
Ligand-Target Pair
Cell division control protein 42 homolog


(Homo sapiens (Human))
BDBM25525
PNG
(24-methyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11...)
Show SMILES C[n+]1cc2c3OCOc3ccc2c2ccc3cc4OCOc4cc3c12
Show InChI InChI=1S/C20H14NO4/c1-21-8-15-12(4-5-16-20(15)25-10-22-16)13-3-2-11-6-17-18(24-9-23-17)7-14(11)19(13)21/h2-8H,9-10H2,1H3/q+1
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n/an/a 3.20E+4n/an/an/an/an/an/a



Exonhit Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of Cdc42 GTPase activity assessed as incorporation of BODIPY-GTP after 40 mins by nucleotide binding competition assay


Bioorg Med Chem Lett 19: 5594-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.037
BindingDB Entry DOI: 10.7270/Q27P8ZF4
More data for this
Ligand-Target Pair
Group 3 secretory phospholipase A2


(Homo sapiens)
BDBM25525
PNG
(24-methyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11...)
Show SMILES C[n+]1cc2c3OCOc3ccc2c2ccc3cc4OCOc4cc3c12
Show InChI InChI=1S/C20H14NO4/c1-21-8-15-12(4-5-16-20(15)25-10-22-16)13-3-2-11-6-17-18(24-9-23-17)7-14(11)19(13)21/h2-8H,9-10H2,1H3/q+1
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n/an/a 5.18E+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 Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2CV4GCW
More data for this
Ligand-Target Pair
Ras-related C3 botulinum toxin substrate 1


(Homo sapiens (Human))
BDBM25525
PNG
(24-methyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11...)
Show SMILES C[n+]1cc2c3OCOc3ccc2c2ccc3cc4OCOc4cc3c12
Show InChI InChI=1S/C20H14NO4/c1-21-8-15-12(4-5-16-20(15)25-10-22-16)13-3-2-11-6-17-18(24-9-23-17)7-14(11)19(13)21/h2-8H,9-10H2,1H3/q+1
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n/an/a 5.80E+4n/an/an/an/an/an/a



Exonhit Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of Rac1 GTPase activity assessed as incorporation of BODIPY-GTP after 40 mins by nucleotide binding competition assay


Bioorg Med Chem Lett 19: 5594-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.037
BindingDB Entry DOI: 10.7270/Q27P8ZF4
More data for this
Ligand-Target Pair
Regulator of G-protein signaling 17


(Homo sapiens)
BDBM25525
PNG
(24-methyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11...)
Show SMILES C[n+]1cc2c3OCOc3ccc2c2ccc3cc4OCOc4cc3c12
Show InChI InChI=1S/C20H14NO4/c1-21-8-15-12(4-5-16-20(15)25-10-22-16)13-3-2-11-6-17-18(24-9-23-17)7-14(11)19(13)21/h2-8H,9-10H2,1H3/q+1
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n/an/a 7.28E+4n/an/an/an/an/an/a



University of Iowa

Curated by ChEMBL


Assay Description
Inhibition of wild type GST-tagged RGS17 (unknown origin) interaction with biotinylated Galphao after 30 mins in presence of AMF and GDP by AlphaScre...


J Nat Prod 80: 1992-2000 (2017)


Article DOI: 10.1021/acs.jnatprod.7b00112
BindingDB Entry DOI: 10.7270/Q2RB777K
More data for this
Ligand-Target Pair
Fibrinogen beta chain [164-491]


(Homo sapiens (Human))
BDBM25525
PNG
(24-methyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11...)
Show SMILES C[n+]1cc2c3OCOc3ccc2c2ccc3cc4OCOc4cc3c12
Show InChI InChI=1S/C20H14NO4/c1-21-8-15-12(4-5-16-20(15)25-10-22-16)13-3-2-11-6-17-18(24-9-23-17)7-14(11)19(13)21/h2-8H,9-10H2,1H3/q+1
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n/an/a 8.31E+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
Regulator of G-protein signaling 17


(Homo sapiens)
BDBM25525
PNG
(24-methyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11...)
Show SMILES C[n+]1cc2c3OCOc3ccc2c2ccc3cc4OCOc4cc3c12
Show InChI InChI=1S/C20H14NO4/c1-21-8-15-12(4-5-16-20(15)25-10-22-16)13-3-2-11-6-17-18(24-9-23-17)7-14(11)19(13)21/h2-8H,9-10H2,1H3/q+1
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Iowa

Curated by ChEMBL


Assay Description
Inhibition of RGS17 (unknown origin) C117A mutant interaction with biotinylated Galphao after 30 mins in presence of AMF and GDP by AlphaScreen assay


J Nat Prod 80: 1992-2000 (2017)


Article DOI: 10.1021/acs.jnatprod.7b00112
BindingDB Entry DOI: 10.7270/Q2RB777K
More data for this
Ligand-Target Pair
Aromatic-L-amino-acid decarboxylase


(Homo sapiens (Human))
BDBM25525
PNG
(24-methyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11...)
Show SMILES C[n+]1cc2c3OCOc3ccc2c2ccc3cc4OCOc4cc3c12
Show InChI InChI=1S/C20H14NO4/c1-21-8-15-12(4-5-16-20(15)25-10-22-16)13-3-2-11-6-17-18(24-9-23-17)7-14(11)19(13)21/h2-8H,9-10H2,1H3/q+1
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n/an/a 2.00E+5n/an/an/an/an/an/a



Hunan Agricultural University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DOPA decarboxylase assessed as inhibition of dopamine production after 30 mins by HPLC method


Bioorg Med Chem Lett 24: 2712-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.047
BindingDB Entry DOI: 10.7270/Q29S1SKV
More data for this
Ligand-Target Pair
DNA ligase 1


(Homo sapiens (Human))
BDBM25525
PNG
(24-methyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11...)
Show SMILES C[n+]1cc2c3OCOc3ccc2c2ccc3cc4OCOc4cc3c12
Show InChI InChI=1S/C20H14NO4/c1-21-8-15-12(4-5-16-20(15)25-10-22-16)13-3-2-11-6-17-18(24-9-23-17)7-14(11)19(13)21/h2-8H,9-10H2,1H3/q+1
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n/an/a 3.82E+5n/an/an/an/an/an/a



University of Allahabad

Curated by ChEMBL


Assay Description
Inhibition of human DNA ligase 1 using 52-mer DNA/25-mer DNA/27-mer DNA as substrate by fluorescence assay


Eur J Med Chem 182: (2019)


Article DOI: 10.1016/j.ejmech.2019.111657
BindingDB Entry DOI: 10.7270/Q2RN3C6C
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM25525
PNG
(24-methyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11...)
Show SMILES C[n+]1cc2c3OCOc3ccc2c2ccc3cc4OCOc4cc3c12
Show InChI InChI=1S/C20H14NO4/c1-21-8-15-12(4-5-16-20(15)25-10-22-16)13-3-2-11-6-17-18(24-9-23-17)7-14(11)19(13)21/h2-8H,9-10H2,1H3/q+1
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n/an/a<4.51E+5n/an/an/an/an/an/a



University of Illinois

Curated by ChEMBL


Assay Description
Inhibition of HIV1 RT


J Nat Prod 54: 143-54


Article DOI: 10.1021/np50073a012
BindingDB Entry DOI: 10.7270/Q2NK3HTG
More data for this
Ligand-Target Pair