BDBM50275703 CHEMBL4126529

SMILES: [Br-].[Br-].CN(c1ccccc1)c1cc[n+](Cc2ccc(OCCOc3ccc(C[n+]4ccc(N(C)c5ccccc5)c5ccccc45)cc3)cc2)c2ccccc12

InChI Key: InChIKey=YCMQIELTSXNUPV-UHFFFAOYSA-N

Data: 1 IC50

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 = 50275703   

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
Choline kinase alpha (Homo sapiens (Human))	BDBM50275703 (CHEMBL4126529) Show SMILES [Br-].[Br-].CN(c1ccccc1)c1cc[n+](Cc2ccc(OCCOc3ccc(C[n+]4ccc(N(C)c5ccccc5)c5ccccc45)cc3)cc2)c2ccccc12 Show InChI InChI=1S/C48H44N4O2/c1-49(39-13-5-3-6-14-39)45-29-31-51(47-19-11-9-17-43(45)47)35-37-21-25-41(26-22-37)53-33-34-54-42-27-23-38(24-28-42)36-52-32-30-46(44-18-10-12-20-48(44)52)50(2)40-15-7-4-8-16-40/h3-32H,33-36H2,1-2H3/q+2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.85E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Granada Curated by ChEMBL					Assay Description Inhibition of human choline kinase alpha1 using [methyl-14C]choline as substrate assessed as reduction in rate of incorporation of 14C from [methyl-1...				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