Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Choline kinase alpha' and Ligand = 'BDBM50579739'   

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))	BDBM50579739 (CHEMBL5088934) Show SMILES COc1ccc(NC(=O)[C@H]2CC[C@H](CC2)n2cnc3c(N)ncnc23)cc1 |r,wU:12.15,9.8,(51.63,-41.79,;51.15,-43.26,;52.18,-44.41,;53.69,-44.1,;54.71,-45.25,;54.22,-46.7,;55.25,-47.85,;56.76,-47.54,;57.78,-48.69,;57.24,-46.08,;56.22,-44.92,;56.7,-43.47,;58.21,-43.16,;59.24,-44.29,;58.75,-45.76,;58.68,-41.69,;57.78,-40.45,;58.69,-39.2,;60.15,-39.68,;61.48,-38.9,;61.47,-37.36,;62.82,-39.67,;62.82,-41.22,;61.48,-41.99,;60.15,-41.22,;52.72,-47.02,;51.7,-45.88,)| 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	377	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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