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

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

Data  1 KI  2 IC50

PDB links: 2 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 85206   

TargetMuscarinic acetylcholine receptor M2(Human)
University of Arizona

Curated by PDSP K_i Database

LigandBDBM85206(CAS_312-45-8 | Hemicholinium-3 | NSC_9399)Copy SMILESCopy InChI

Affinity DataKi:  11nMMore data for this Ligand-Target Pair

Target InfoPDBReactome pathway
UniProtKB/SwissProt
antibodypediaGoogleScholar

Ligand InfoPurchasePC cidPC sidPDBSimilars

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TargetCholine kinase(Plasmodium falciparum (isolate 3D7))
Universidad De Granada

Curated by ChEMBL

LigandBDBM85206(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

Target InfoPDBReactome pathway
UniProtKB/TrEMBL
GoogleScholar

Ligand InfoPurchasePC cidPC sidPDBSimilars

In DepthDetails ArticlePubMed
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TargetHigh affinity choline transporter 1(Rat)
University of Urbino

Curated by ChEMBL

LigandBDBM85206(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

Target InfoPDBReactome pathwayKEGG
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPurchasePC cidPC sidPDBSimilars

In DepthDetails ArticlePubMedPDB3D Structure (crystal)
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