Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Choline kinase alpha' and Ligand = 'BDBM50579782'   

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))	BDBM50579782 (CHEMBL5078600) Show SMILES Nc1nc(Cl)nc2n(cnc12)[C@@H]1CC[C@@H](CC1)C(=O)Nc1nc2CCOCc2s1 |r,wU:11.12,14.19,(53.68,-20.14,;53.69,-21.69,;55.03,-22.45,;55.03,-24,;56.37,-24.77,;53.69,-24.77,;52.36,-24,;50.89,-24.48,;49.99,-23.23,;50.9,-21.98,;52.36,-22.46,;50.41,-25.94,;48.91,-26.25,;48.43,-27.71,;49.45,-28.86,;50.96,-28.54,;51.45,-27.08,;48.97,-30.32,;49.99,-31.47,;47.46,-30.64,;46.43,-29.48,;44.89,-29.63,;44.28,-28.23,;42.82,-27.76,;42.51,-26.25,;43.65,-25.22,;45.11,-25.71,;45.42,-27.2,;46.76,-27.97,)| 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	20	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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