null

SMILES C[N+]1(C)CCOC(O)(C1)c1ccc(cc1)-c1ccc(cc1)C1(O)C[N+](C)(C)CCO1

InChI Key InChIKey=JIWUESGGKYLPPG-UHFFFAOYSA-N

PDB links: 2 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 85206   

TargetMuscarinic acetylcholine receptor M2(Homo sapiens (Human))
University of Arizona

Curated by PDSP Ki Database
LigandPNGBDBM85206(CAS_312-45-8 | Hemicholinium-3 | NSC_9399)copy SMILEScopy InChI
Affinity DataKi:  11nMMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2HX1B6SPubMed
TargetCholine kinase(Plasmodium falciparum (isolate 3D7))
Universidad de Granada

Curated by ChEMBL
LigandPNGBDBM85206(CAS_312-45-8 | Hemicholinium-3 | NSC_9399)copy SMILEScopy InChI
Affinity DataIC50: 2.50E+5nMAssay Description:Inhibition of Plasmodium falciparum 3D7 choline kinase expressed in Escherichia coli BL21(DE3) assessed as reduction in phosphocholine formationMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q20Z75RVPubMed
TargetHigh affinity choline transporter 1(Rattus norvegicus)
Universit£ degli Studi di Urbino Carlo Bo

Curated by ChEMBL
LigandPNGBDBM85206(CAS_312-45-8 | Hemicholinium-3 | NSC_9399)copy SMILEScopy InChI
Affinity DataIC50: 12nMAssay Description:Inhibitory concentration against human Adenosine A3 receptor expressed in HEK293 cells using 0.1 nM [3H]AB-MECAMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q28C9X1XPubMed