Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Choline kinase alpha' and Ligand = 'BDBM50579747'   

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))	BDBM50579747 (CHEMBL5073844) Show SMILES COc1cccc(NC(=O)[C@H]2CC[C@H](CC2)n2cnc3c(N)nc(nc23)-c2ccncc2)c1 |r,wU:13.16,10.9,(43.61,-29.56,;44.64,-30.71,;46.15,-30.39,;46.63,-28.92,;48.14,-28.61,;49.17,-29.76,;48.68,-31.21,;49.7,-32.36,;51.21,-32.05,;52.24,-33.2,;51.7,-30.59,;50.67,-29.44,;51.15,-27.98,;52.66,-27.67,;53.69,-28.81,;53.21,-30.27,;53.14,-26.2,;52.23,-24.96,;53.14,-23.71,;54.6,-24.19,;55.93,-23.41,;55.93,-21.87,;57.27,-24.18,;57.28,-25.73,;55.94,-26.5,;54.6,-25.73,;58.61,-26.5,;58.6,-28.04,;59.94,-28.81,;61.27,-28.04,;61.27,-26.49,;59.93,-25.73,;47.18,-31.54,)| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	410	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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