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

InChI Key InChIKey=LLEJIEBFSOEYIV-UHFFFAOYSA-N

PDB links: 6 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 26 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...)copy SMILEScopy InChI
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 Article
BindingDB Entry DOI: 10.7270/Q23R0WCTPubMed
TargetAcetylcholinesterase(Homo sapiens (Human))
Abo Akademi University

Curated by ChEMBL
LigandPNGBDBM25524(17,18-dimethoxy-21-methyl-5,7-dioxa-21-azapentacyc...)copy SMILEScopy InChI
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 Article
BindingDB Entry DOI: 10.7270/Q2ZG6TBTPubMed
TargetAcetylcholinesterase(Electrophorus electricus (Electric eel))
Abo Akademi University

Curated by ChEMBL
LigandPNGBDBM25524(17,18-dimethoxy-21-methyl-5,7-dioxa-21-azapentacyc...)copy SMILEScopy InChI
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 Article
BindingDB Entry DOI: 10.7270/Q2ZG6TBTPubMed
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...)copy SMILEScopy InChI
Affinity DataKi:  660nMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2PN9464PubMed
TargetAcetylcholinesterase(Electrophorus electricus (Electric eel))
Abo Akademi University

Curated by ChEMBL
LigandPNGBDBM25524(17,18-dimethoxy-21-methyl-5,7-dioxa-21-azapentacyc...)copy SMILEScopy InChI
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 Article
BindingDB Entry DOI: 10.7270/Q2ZG6TBTPubMed
TargetAcetylcholinesterase(Homo sapiens (Human))
Abo Akademi University

Curated by ChEMBL
LigandPNGBDBM25524(17,18-dimethoxy-21-methyl-5,7-dioxa-21-azapentacyc...)copy SMILEScopy InChI
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 Article
BindingDB Entry DOI: 10.7270/Q2ZG6TBTPubMed
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...)copy SMILEScopy InChI
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 Article
BindingDB Entry DOI: 10.7270/Q28W3F4CPubMed
TargetApoptosis regulator Bcl-2(Homo sapiens (Human))
University of Minnesota

Curated by ChEMBL
LigandPNGBDBM25524(17,18-dimethoxy-21-methyl-5,7-dioxa-21-azapentacyc...)copy SMILEScopy InChI
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 Article
BindingDB Entry DOI: 10.7270/Q28W3F4CPubMed
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...)copy SMILEScopy InChI
Affinity DataIC50: 24nMAssay Description:Inhibition of PKCepsilonChecked by AuthorMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2DB82RHPubMed
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...)copy SMILEScopy InChI
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 Article
BindingDB Entry DOI: 10.7270/Q23R0WCTPubMed
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...)copy SMILEScopy InChI
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 Article
BindingDB Entry DOI: 10.7270/Q23R0WCTPubMed
TargetReverse transcriptase(Human immunodeficiency virus 1)
University of Illinois

Curated by ChEMBL
LigandPNGBDBM25524(17,18-dimethoxy-21-methyl-5,7-dioxa-21-azapentacyc...)copy SMILEScopy InChI
Affinity DataIC50: 5.74E+5nMAssay Description:Inhibition of HIV1 RTMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2NK3HTGPubMed
TargetPeroxisome proliferator-activated receptor gamma(Homo sapiens (Human))
Vitae Pharmaceuticals, Inc.

Curated by ChEMBL
LigandPNGBDBM25524(17,18-dimethoxy-21-methyl-5,7-dioxa-21-azapentacyc...)copy SMILEScopy InChI
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...)copy SMILEScopy InChI
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 Article
BindingDB Entry DOI: 10.7270/Q29G5R8TPubMed
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...)copy SMILEScopy InChI
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 Article
BindingDB Entry DOI: 10.7270/Q29G5R8TPubMed
TargetAcetylcholinesterase(Homo sapiens (Human))
Abo Akademi University

Curated by ChEMBL
LigandPNGBDBM25524(17,18-dimethoxy-21-methyl-5,7-dioxa-21-azapentacyc...)copy SMILEScopy InChI
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 Article
BindingDB Entry DOI: 10.7270/Q27P9344PubMed
TargetCholinesterase(Homo sapiens (Human))TBA
LigandPNGBDBM25524(17,18-dimethoxy-21-methyl-5,7-dioxa-21-azapentacyc...)copy SMILEScopy InChI
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 Article
BindingDB Entry DOI: 10.7270/Q27P9344PubMed
TargetPeroxisome proliferator-activated receptor gamma(Homo sapiens (Human))
Vitae Pharmaceuticals, Inc.

Curated by ChEMBL
LigandPNGBDBM25524(17,18-dimethoxy-21-methyl-5,7-dioxa-21-azapentacyc...)copy SMILEScopy InChI
Affinity DataIC50: 566nMMore data for this Ligand-Target Pair
TargetCholinesterase(Homo sapiens (Human))TBA
LigandPNGBDBM25524(17,18-dimethoxy-21-methyl-5,7-dioxa-21-azapentacyc...)copy SMILEScopy InChI
Affinity DataIC50: 1.03E+4nMAssay Description:Inhibition of human BChE by Ellman's methodMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2ZG6TBTPubMed
TargetAcetylcholinesterase(Electrophorus electricus (Electric eel))
Abo Akademi University

Curated by ChEMBL
LigandPNGBDBM25524(17,18-dimethoxy-21-methyl-5,7-dioxa-21-azapentacyc...)copy SMILEScopy InChI
Affinity DataIC50: 3.78E+3nMAssay Description:Inhibition of electric eel AChE by Ellman's methodMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2ZG6TBTPubMed
TargetAcetylcholinesterase(Homo sapiens (Human))
Abo Akademi University

Curated by ChEMBL
LigandPNGBDBM25524(17,18-dimethoxy-21-methyl-5,7-dioxa-21-azapentacyc...)copy SMILEScopy InChI
Affinity DataIC50: 1.54E+3nMAssay Description:Inhibition of human AChE by Ellman's methodMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2ZG6TBTPubMed
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...)copy SMILEScopy InChI
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 Article
BindingDB Entry DOI: 10.7270/Q27P8ZF4PubMed
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...)copy SMILEScopy InChI
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 Article
BindingDB Entry DOI: 10.7270/Q27P8ZF4PubMed
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...)copy SMILEScopy InChI
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 Article
BindingDB Entry DOI: 10.7270/Q29S1SKVPubMed
TargetBcl-2-like protein 1(Homo sapiens (Human))
A*STAR

LigandPNGBDBM25524(17,18-dimethoxy-21-methyl-5,7-dioxa-21-azapentacyc...)copy SMILEScopy InChI
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 Article
BindingDB Entry DOI: 10.7270/Q25M641RPubMed
TargetCholinesterase(Equus caballus (Horse))
Abo Akademi University

Curated by ChEMBL
LigandPNGBDBM25524(17,18-dimethoxy-21-methyl-5,7-dioxa-21-azapentacyc...)copy SMILEScopy InChI
Affinity DataIC50: 6.33E+3nMAssay Description:Inhibition of horse BChE by Ellman's methodMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2ZG6TBTPubMed