BDBM50275679 CHEMBL4126001

SMILES: [Br-].[Br-].CN(c1ccccc1)c1cc[n+](Cc2ccc(OCCOc3ccc(C[n+]4ccc(N(C)c5ccccc5)c5ccc(Cl)cc45)cc3)cc2)c2cc(Cl)ccc12

InChI Key: InChIKey=ZNCRNEMZUQBMQF-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 = 50275679   

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))	BDBM50275679 (CHEMBL4126001) Show SMILES [Br-].[Br-].CN(c1ccccc1)c1cc[n+](Cc2ccc(OCCOc3ccc(C[n+]4ccc(N(C)c5ccccc5)c5ccc(Cl)cc45)cc3)cc2)c2cc(Cl)ccc12 Show InChI InChI=1S/C48H42Cl2N4O2/c1-51(39-9-5-3-6-10-39)45-25-27-53(47-31-37(49)17-23-43(45)47)33-35-13-19-41(20-14-35)55-29-30-56-42-21-15-36(16-22-42)34-54-28-26-46(44-24-18-38(50)32-48(44)54)52(2)40-11-7-4-8-12-40/h3-28,31-32H,29-30,33-34H2,1-2H3/q+2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.79E+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