Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Choline kinase alpha' and Ligand = 'BDBM50275678'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Choline kinase alpha (Homo sapiens (Human))	BDBM50275678 (CHEMBL4125997) Show SMILES [Br-].[Br-].C(COc1ccc(C[n+]2ccc(N3CCCCCC3)c3ccccc23)cc1)Oc1ccc(C[n+]2ccc(N3CCCCCC3)c3ccccc23)cc1 Show InChI InChI=1S/C46H52N4O2/c1-2-10-28-47(27-9-1)45-25-31-49(43-15-7-5-13-41(43)45)35-37-17-21-39(22-18-37)51-33-34-52-40-23-19-38(20-24-40)36-50-32-26-46(42-14-6-8-16-44(42)50)48-29-11-3-4-12-30-48/h5-8,13-26,31-32H,1-4,9-12,27-30,33-36H2/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	1.66E+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
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