BDBM50275704 CHEMBL4128482

SMILES: [Br-].[Br-].C(COc1ccc(C[N+]23CCC(CC2)CC3)cc1)Oc1ccc(C[N+]23CCC(CC2)CC3)cc1

InChI Key: InChIKey=VTLVMBYLKWQCKI-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 = 50275704   

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))	BDBM50275704 (CHEMBL4128482) Show SMILES [Br-].[Br-].C(COc1ccc(C[N+]23CCC(CC2)CC3)cc1)Oc1ccc(C[N+]23CCC(CC2)CC3)cc1 Show InChI InChI=1S/C30H42N2O2/c1-5-29(6-2-27(1)23-31-15-9-25(10-16-31)11-17-31)33-21-22-34-30-7-3-28(4-8-30)24-32-18-12-26(13-19-32)14-20-32/h1-8,25-26H,9-24H2/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	3.75E+4	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