Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Choline kinase alpha' and Ligand = 'BDBM50579748'   

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))	BDBM50579748 (CHEMBL5093175) Show SMILES COc1cccc(NC(=O)[C@H]2CC[C@H](CC2)n2cnc3c(N)nc(nc23)-c2cc[nH]n2)c1 |r,wU:13.16,10.9,(66.29,-30.19,;67.32,-31.33,;68.83,-31.02,;69.31,-29.54,;70.82,-29.23,;71.84,-30.38,;71.35,-31.84,;72.38,-32.99,;73.89,-32.68,;74.91,-33.83,;74.37,-31.21,;73.35,-30.06,;73.83,-28.6,;75.33,-28.3,;76.37,-29.43,;75.88,-30.9,;75.81,-26.83,;74.91,-25.59,;75.82,-24.34,;77.28,-24.82,;78.61,-24.04,;78.6,-22.5,;79.94,-24.81,;79.95,-26.36,;78.61,-27.13,;77.28,-26.36,;81.29,-27.12,;81.45,-28.65,;82.96,-28.97,;83.72,-27.64,;82.69,-26.49,;69.85,-32.16,)| 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	495	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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