Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Choline kinase alpha' and Ligand = 'BDBM50579759'   

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))	BDBM50579759 (CHEMBL5075746) Show SMILES Cc1cc(NC(=O)[C@H]2CC[C@H](CC2)n2cnc3c(N)nc(Cl)nc23)nn1C |r,wU:10.13,7.6,(50.4,-25.24,;50.55,-26.78,;51.88,-27.55,;51.56,-29.06,;52.59,-30.21,;54.09,-29.9,;55.12,-31.05,;54.58,-28.44,;53.55,-27.29,;54.03,-25.83,;55.54,-25.52,;56.57,-26.66,;56.09,-28.13,;56.02,-24.06,;55.11,-22.81,;56.02,-21.57,;57.48,-22.05,;58.81,-21.27,;58.8,-19.73,;60.15,-22.04,;60.15,-23.59,;61.49,-24.35,;58.81,-24.36,;57.48,-23.59,;50.02,-29.21,;49.4,-27.8,;47.9,-27.47,)| 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	111	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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