BDBM25524 17,18-dimethoxy-21-methyl-5,7-dioxa-21-azapentacyclo[11.8.0.0^{2,10}.0^{4,8}.0^{14,19}]henicosa-1(13),2,4(8),9,11,14(19),15,17,20-nonaen-21-ium::CHEMBL13045::CHEMBL258893::Chelerytherine::Toddalin::chelerythrine

SMILES COc1ccc2c(c[n+](C)c3c4cc5OCOc5cc4ccc23)c1OC

InChI Key InChIKey=LLEJIEBFSOEYIV-UHFFFAOYSA-N

Data  8 KI  17 IC50

PDB links: 5 PDB IDs match this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 25 hits for monomerid = 25524   

TargetAmine oxidase [flavin-containing] A(Homo sapiens (Human))
Sunchon National University

Curated by ChEMBL
LigandPNGBDBM25524(17,18-dimethoxy-21-methyl-5,7-dioxa-21-azapentacyc...)
Affinity DataKi:  220nMAssay Description:Competitive inhibition of recombinant human MAO-A using kynuramine as substrate by Lineweaver-Burk plot analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAcetylcholinesterase(Homo sapiens (Human))
Abo Akademi University

Curated by ChEMBL
LigandPNGBDBM25524(17,18-dimethoxy-21-methyl-5,7-dioxa-21-azapentacyc...)
Affinity DataKi:  320nMAssay Description:Competitive inhibition of human AChE using acetyl thiocholine iodide as substrate by Lineweaver-Burk double-reciprocal analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAcetylcholinesterase(Electrophorus electricus (Electric eel))
Abo Akademi University

Curated by ChEMBL
LigandPNGBDBM25524(17,18-dimethoxy-21-methyl-5,7-dioxa-21-azapentacyc...)
Affinity DataKi:  480nMAssay Description:Competitive inhibition of electric eel AChE using acetyl thiocholine iodide as substrate by Lineweaver-Burk double-reciprocal analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProtein kinase C alpha type(Rattus norvegicus (Rat))
Temple University

Curated by PDSP Ki Database
LigandPNGBDBM25524(17,18-dimethoxy-21-methyl-5,7-dioxa-21-azapentacyc...)
Affinity DataKi:  660nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAcetylcholinesterase(Electrophorus electricus (Electric eel))
Abo Akademi University

Curated by ChEMBL
LigandPNGBDBM25524(17,18-dimethoxy-21-methyl-5,7-dioxa-21-azapentacyc...)
Affinity DataKi:  920nMAssay Description:Uncompetitive inhibition of electric eel AChE using acetyl thiocholine iodide as substrate by Lineweaver-Burk double-reciprocal analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAcetylcholinesterase(Homo sapiens (Human))
Abo Akademi University

Curated by ChEMBL
LigandPNGBDBM25524(17,18-dimethoxy-21-methyl-5,7-dioxa-21-azapentacyc...)
Affinity DataKi:  1.12E+3nMAssay Description:Uncompetitive inhibition of human AChE using acetyl thiocholine iodide as substrate by Lineweaver-Burk double-reciprocal analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBcl-2-like protein 2(Homo sapiens (Human))
University Of Minnesota

Curated by ChEMBL
LigandPNGBDBM25524(17,18-dimethoxy-21-methyl-5,7-dioxa-21-azapentacyc...)
Affinity DataKi:  1.06E+5nMAssay Description:Displacement of Flu-Bak peptide from recombinant antiapoptopic Bcl-w protein by fluorescence polarization assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetApoptosis regulator Bcl-2(Homo sapiens (Human))
University Of Minnesota

Curated by ChEMBL
LigandPNGBDBM25524(17,18-dimethoxy-21-methyl-5,7-dioxa-21-azapentacyc...)
Affinity DataKi:  1.71E+5nMAssay Description:Displacement of Flu-Bak peptide from recombinant antiapoptopic Bcl2 protein by fluorescence polarization assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProtein kinase C epsilon type(Homo sapiens (Human))
University Of Oxford

Curated by ChEMBL
LigandPNGBDBM25524(17,18-dimethoxy-21-methyl-5,7-dioxa-21-azapentacyc...)
Affinity DataIC50:  24nMAssay Description:Inhibition of PKCepsilonChecked by AuthorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAmine oxidase [flavin-containing] A(Homo sapiens (Human))
Sunchon National University

Curated by ChEMBL
LigandPNGBDBM25524(17,18-dimethoxy-21-methyl-5,7-dioxa-21-azapentacyc...)
Affinity DataIC50:  550nMAssay Description:Inhibition of recombinant human MAO-A using kynuramine as substrate incubated for 20 mins by spectrophotometric methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAmine oxidase [flavin-containing] B(Homo sapiens (Human))
Sunchon National University

Curated by ChEMBL
LigandPNGBDBM25524(17,18-dimethoxy-21-methyl-5,7-dioxa-21-azapentacyc...)
Affinity DataIC50: >2.00E+4nMAssay Description:Inhibition of recombinant human MAO-B using benzylamine as substrate incubated for 30 mins by spectrophotometric methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetReverse transcriptase(Human immunodeficiency virus 1)
University Of Illinois

Curated by ChEMBL
LigandPNGBDBM25524(17,18-dimethoxy-21-methyl-5,7-dioxa-21-azapentacyc...)
Affinity DataIC50: <5.74E+5nMAssay Description:Inhibition of HIV1 RTMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPeroxisome proliferator-activated receptor gamma(Homo sapiens (Human))
Vitae Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM25524(17,18-dimethoxy-21-methyl-5,7-dioxa-21-azapentacyc...)
Affinity DataIC50:  566nMAssay Description:Binding affinity to human 6xHis-tagged PPARgamma ligand binding domain (206 to 477 residues) by TR-FRET assayMore data for this Ligand-Target Pair
TargetSarcoplasmic/endoplasmic reticulum calcium ATPase 1(Homo sapiens (Human))
University Of Chemistry And Technology Prague

Curated by ChEMBL
LigandPNGBDBM25524(17,18-dimethoxy-21-methyl-5,7-dioxa-21-azapentacyc...)
Affinity DataIC50:  2.70E+4nMAssay Description:Inhibition of SERCA1a (unknown origin) incubated for 10 mins by enzyme-coupled methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSarcoplasmic/endoplasmic reticulum calcium ATPase 1(Oryctolagus cuniculus)
University Of Chemistry And Technology Prague

Curated by ChEMBL
LigandPNGBDBM25524(17,18-dimethoxy-21-methyl-5,7-dioxa-21-azapentacyc...)
Affinity DataIC50:  1.20E+3nMAssay Description:Inhibition of rabbit skeletal muscle microsomes SERCA1a incubated for 10 mins by enzyme-coupled methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAcetylcholinesterase(Homo sapiens (Human))
Abo Akademi University

Curated by ChEMBL
LigandPNGBDBM25524(17,18-dimethoxy-21-methyl-5,7-dioxa-21-azapentacyc...)
Affinity DataIC50:  1.45E+3nMAssay Description:Inhibition of AChE (unknown origin) preincubated for 30 mins followed by substrate addition acetylthiocholineiodide measured after 40 mins by Ellman'...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCholinesterase(Homo sapiens (Human))
Northwest A&F University

Curated by ChEMBL
LigandPNGBDBM25524(17,18-dimethoxy-21-methyl-5,7-dioxa-21-azapentacyc...)
Affinity DataIC50:  8.58E+3nMAssay Description:Inhibition of BuChE (unknown origin) preincubated for 30 mins followed by substrate addition acetylthiocholineiodide measured after 40 mins by Ellman...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCholinesterase(Homo sapiens (Human))
Northwest A&F University

Curated by ChEMBL
LigandPNGBDBM25524(17,18-dimethoxy-21-methyl-5,7-dioxa-21-azapentacyc...)
Affinity DataIC50:  1.03E+4nMAssay Description:Inhibition of human BChE by Ellman's methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAcetylcholinesterase(Electrophorus electricus (Electric eel))
Abo Akademi University

Curated by ChEMBL
LigandPNGBDBM25524(17,18-dimethoxy-21-methyl-5,7-dioxa-21-azapentacyc...)
Affinity DataIC50:  3.78E+3nMAssay Description:Inhibition of electric eel AChE by Ellman's methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAcetylcholinesterase(Homo sapiens (Human))
Abo Akademi University

Curated by ChEMBL
LigandPNGBDBM25524(17,18-dimethoxy-21-methyl-5,7-dioxa-21-azapentacyc...)
Affinity DataIC50:  1.54E+3nMAssay Description:Inhibition of human AChE by Ellman's methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetRas-related C3 botulinum toxin substrate 1(Homo sapiens (Human))
Exonhit Therapeutics

Curated by ChEMBL
LigandPNGBDBM25524(17,18-dimethoxy-21-methyl-5,7-dioxa-21-azapentacyc...)
Affinity DataIC50: >1.00E+5nMAssay Description:Inhibition of Rac1 GTPase activity assessed as incorporation of BODIPY-GTP after 40 mins by nucleotide binding competition assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCell division control protein 42 homolog(Homo sapiens (Human))
Exonhit Therapeutics

Curated by ChEMBL
LigandPNGBDBM25524(17,18-dimethoxy-21-methyl-5,7-dioxa-21-azapentacyc...)
Affinity DataIC50: >1.00E+5nMAssay Description:Inhibition of Cdc42 GTPase activity assessed as incorporation of BODIPY-GTP after 40 mins by nucleotide binding competition assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAromatic-L-amino-acid decarboxylase(Homo sapiens (Human))
Hunan Agricultural University

Curated by ChEMBL
LigandPNGBDBM25524(17,18-dimethoxy-21-methyl-5,7-dioxa-21-azapentacyc...)
Affinity DataIC50:  1.28E+6nMAssay Description:Inhibition of recombinant human DOPA decarboxylase assessed as inhibition of dopamine production after 30 mins by HPLC methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBcl-2-like protein 1(Homo sapiens (Human))
A* Star

LigandPNGBDBM25524(17,18-dimethoxy-21-methyl-5,7-dioxa-21-azapentacyc...)
Affinity DataIC50:  1.00E+5nMpH: 8.0 T: 2°CAssay 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...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCholinesterase(Equus caballus (Horse))
Abo Akademi University

Curated by ChEMBL
LigandPNGBDBM25524(17,18-dimethoxy-21-methyl-5,7-dioxa-21-azapentacyc...)
Affinity DataIC50:  6.33E+3nMAssay Description:Inhibition of horse BChE by Ellman's methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed