Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Choline kinase alpha' and Ligand = 'BDBM50579735'   

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))	BDBM50579735 (CHEMBL5090955) Show SMILES CS(=O)(=O)c1ccc(NC(=O)[C@H]2CC[C@H](CC2)n2cnc3c(N)ncnc23)cc1 |r,wU:14.17,11.10,(67.97,-27.27,;69.31,-26.51,;68.9,-25.02,;70.4,-25.41,;70.34,-27.66,;71.85,-27.35,;72.87,-28.5,;72.38,-29.96,;73.41,-31.11,;74.92,-30.8,;75.94,-31.95,;75.4,-29.33,;74.38,-28.18,;74.86,-26.72,;76.37,-26.42,;77.4,-27.55,;76.91,-29.02,;76.84,-24.95,;75.94,-23.7,;76.85,-22.46,;78.31,-22.94,;79.64,-22.16,;79.63,-20.62,;80.98,-22.92,;80.98,-24.48,;79.64,-25.25,;78.31,-24.48,;70.88,-30.28,;69.86,-29.14,)| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	307	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of ChoKalpha (unknown origin) by HTS assay				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128310 BindingDB Entry DOI: 10.7270/Q27H1PFF
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