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BDBM25525 24-methyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.0^{2,10}.0^{4,8}.0^{14,22}.0^{17,21}]tetracosa-1(13),2,4(8),9,11,14(22),15,17(21),23-nonaen-24-ium::CHEMBL490129::Pseudochelerythrine::Veadent::cid_5154::sanguinarine::sangvinarin

SMILES: C[n+]1cc2c3OCOc3ccc2c2ccc3cc4OCOc4cc3c12

InChI Key: InChIKey=INVGWHRKADIJHF-UHFFFAOYSA-N

Data: 7 IC50

PDB links: 4 PDB IDs match this monomer.

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 25525   
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
Bcl-xL/BAK


(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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Article
PubMed
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)

More data for this
Ligand-Target Pair
Group III secretory phopholipase 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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PCBioAssay
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...


Citation and Details
More data for this
Ligand-Target Pair
Chain E, Fragment Double-D From Human Fibrin


(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 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...


Citation and Details
More data for this
Ligand-Target Pair
Ras-related C3 botulinum toxin substrate 1/T-lymphoma invasion and metastasis-inducing protein 1


(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 5.80E+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)

More data for this
Ligand-Target Pair
Aromatic-L-amino-acid decarboxylase


(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 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)

More data for this
Ligand-Target Pair
Cell division control protein 42 homolog


(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 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)

More data for this
Ligand-Target Pair
Chain E, Fragment Double-D From Human Fibrin


(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 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...


Citation and Details
More data for this
Ligand-Target Pair