Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Choline kinase alpha' and Ligand = 'BDBM50579765'   

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))	BDBM50579765 (CHEMBL5089748) Show SMILES NC(=O)Cc1csc(NC(=O)[C@H]2CC[C@H](CC2)n2cnc3c(N)nc(Cl)nc23)n1 |r,wU:14.17,11.10,(21.85,-8.74,;20.81,-9.88,;19.31,-9.55,;21.28,-11.35,;22.78,-11.68,;23.93,-10.66,;25.26,-11.43,;24.94,-12.94,;25.96,-14.09,;27.47,-13.78,;28.5,-14.93,;27.95,-12.32,;26.93,-11.17,;27.41,-9.71,;28.92,-9.4,;29.95,-10.54,;29.46,-12,;29.39,-7.94,;28.49,-6.69,;29.4,-5.45,;30.86,-5.92,;32.19,-5.15,;32.18,-3.61,;33.52,-5.91,;33.53,-7.46,;34.86,-8.23,;32.19,-8.23,;30.86,-7.46,;23.4,-13.09,)| 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	61	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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