BDBM85206 CAS_312-45-8::Hemicholinium-3::NSC_9399

SMILES C[N+]1(CCO[C@](C1)(c2ccc(cc2)c3ccc(cc3)[C@]4(C[N+](CCO4)(C)C)O)O)C

InChI Key InChIKey=JIWUESGGKYLPPG-UHFFFAOYSA-N

Data  1 KI  2 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 85206   

TargetHigh affinity choline transporter 1(Rat)
University of Urbino

Curated by ChEMBL
LigandPNGBDBM85206(CAS_312-45-8 | NSC_9399 | Hemicholinium-3)
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 Depth
Date in BDB:
12/5/2012
Entry Details Article
PubMed
TargetCholine kinase(Plasmodium falciparum (isolate 3D7))
Universidad De Granada

Curated by ChEMBL
LigandPNGBDBM85206(CAS_312-45-8 | NSC_9399 | Hemicholinium-3)
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 Depth
Date in BDB:
5/19/2020
Entry Details Article
PubMed
TargetMuscarinic acetylcholine receptor M2(Human)
University of Arizona

Curated by PDSP Ki Database
LigandPNGBDBM85206(CAS_312-45-8 | NSC_9399 | Hemicholinium-3)
Affinity DataKi:  11nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/2/2012
Entry Details
PubMed