BDBM85206 CAS_312-45-8::HEMICHOLINIUM-3::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
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
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Muscarinic acetylcholine receptor M2 (Homo sapiens (Human)) | BDBM85206 (CAS_312-45-8 | HEMICHOLINIUM-3 | Hemicholinium-3 |...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid PDB UniChem Similars | PubMed | 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona Curated by PDSP Ki Database | J Pharmacol Exp Ther 284: 500-7 (1998) BindingDB Entry DOI: 10.7270/Q2HX1B6S | ||||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Choline kinase (Plasmodium falciparum (isolate 3D7)) | BDBM85206 (CAS_312-45-8 | HEMICHOLINIUM-3 | Hemicholinium-3 |...) | PDB UniProtKB/TrEMBL GoogleScholar AffyNet | Purchase PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 2.50E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad de Granada Curated by ChEMBL | Assay Description Inhibition of Plasmodium falciparum 3D7 choline kinase expressed in Escherichia coli BL21(DE3) assessed as reduction in phosphocholine formation | Bioorg Med Chem Lett 28: 2485-2489 (2018) Article DOI: 10.1016/j.bmcl.2018.05.060 BindingDB Entry DOI: 10.7270/Q20Z75RV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
High affinity choline transporter 1 (Rattus norvegicus) | BDBM85206 (CAS_312-45-8 | HEMICHOLINIUM-3 | Hemicholinium-3 |...) | KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Urbino Carlo Bo Curated by ChEMBL | Assay Description Inhibitory concentration against human Adenosine A3 receptor expressed in HEK293 cells using 0.1 nM [3H]AB-MECA | J Med Chem 48: 6887-96 (2005) Article DOI: 10.1021/jm058018d BindingDB Entry DOI: 10.7270/Q28C9X1X | |||||||||||
More data for this Ligand-Target Pair |