BDBM50323515 CHEMBL1209714::Hemicholinium

SMILES: C[N+]1(C)CCO[C@](O)(C1)c1ccc(cc1)-c1ccc(cc1)[C@@]1(O)C[N+](C)(C)CCO1

InChI Key: InChIKey=JIWUESGGKYLPPG-DNQXCXABSA-N

Data: 1 KI

PDB links: 2 PDB IDs match this monomer.

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50323515   

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
High affinity choline transporter 1 (Rattus norvegicus)	BDBM50323515 (CHEMBL1209714 | Hemicholinium) Show SMILES C[N+]1(C)CCO[C@](O)(C1)c1ccc(cc1)-c1ccc(cc1)[C@@]1(O)C[N+](C)(C)CCO1 |r| Show InChI InChI=1S/C24H34N2O4/c1-25(2)13-15-29-23(27,17-25)21-9-5-19(6-10-21)20-7-11-22(12-8-20)24(28)18-26(3,4)14-16-30-24/h5-12,27-28H,13-18H2,1-4H3/q+2/t23-,24-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern Ohio Universities Colleges of Medicine and Pharmacy Curated by ChEMBL					Assay Description Binding affinity to rat choline transporter 1				Bioorg Med Chem Lett 20: 4870-7 (2010) Article DOI: 10.1016/j.bmcl.2010.06.090 BindingDB Entry DOI: 10.7270/Q29C6XMQ
					More data for this Ligand-Target Pair