BDBM50275680 CHEMBL4127381

SMILES: [Br-].[Br-].CN(c1ccc(Cl)cc1)c1cc[n+](Cc2ccc(OCCOc3ccc(C[n+]4ccc(N(C)c5ccc(Cl)cc5)c5ccccc45)cc3)cc2)c2ccccc12

InChI Key: InChIKey=VWASYAVWUMQXCG-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 = 50275680   

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))	BDBM50275680 (CHEMBL4127381) Show SMILES [Br-].[Br-].CN(c1ccc(Cl)cc1)c1cc[n+](Cc2ccc(OCCOc3ccc(C[n+]4ccc(N(C)c5ccc(Cl)cc5)c5ccccc45)cc3)cc2)c2ccccc12 Show InChI InChI=1S/C48H42Cl2N4O2/c1-51(39-19-15-37(49)16-20-39)45-27-29-53(47-9-5-3-7-43(45)47)33-35-11-23-41(24-12-35)55-31-32-56-42-25-13-36(14-26-42)34-54-30-28-46(44-8-4-6-10-48(44)54)52(2)40-21-17-38(50)18-22-40/h3-30H,31-34H2,1-2H3/q+2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.27E+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