Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Choline kinase alpha' and Ligand = 'BDBM50579746'   

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))	BDBM50579746 (CHEMBL5082454) Show SMILES COc1cccc(NC(=O)[C@H]2CC[C@H](CC2)n2cnc3c(N)nc(nc23)-c2cccnc2)c1 |r,wU:13.16,10.9,(23.3,-29.97,;24.33,-31.11,;25.84,-30.79,;26.32,-29.32,;27.83,-29.01,;28.86,-30.16,;28.37,-31.62,;29.39,-32.77,;30.9,-32.46,;31.93,-33.61,;31.39,-30.99,;30.36,-29.84,;30.84,-28.38,;32.35,-28.07,;33.38,-29.21,;32.9,-30.68,;32.83,-26.61,;31.92,-25.36,;32.83,-24.12,;34.29,-24.6,;35.62,-23.82,;35.62,-22.28,;36.96,-24.58,;36.96,-26.13,;35.63,-26.91,;34.29,-26.13,;38.29,-26.9,;38.29,-28.44,;39.63,-29.21,;40.96,-28.44,;40.96,-26.89,;39.62,-26.13,;26.87,-31.94,)| 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	479	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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