Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Choline kinase alpha' and Ligand = 'BDBM50579734'   

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))	BDBM50579734 (CHEMBL5091650) Show SMILES Nc1nc(Cl)nc2n(cnc12)[C@@H]1CC[C@@H](CC1)C(=O)Nc1ccc(cc1)S(=O)(=O)C(F)(F)F |r,wU:11.12,14.19,(57.56,-20.97,;57.57,-22.51,;58.91,-23.27,;58.91,-24.82,;60.25,-25.59,;57.57,-25.6,;56.24,-24.83,;54.77,-25.3,;53.87,-24.05,;54.78,-22.81,;56.24,-23.29,;54.29,-26.76,;52.79,-27.07,;52.31,-28.53,;53.33,-29.68,;54.84,-29.37,;55.33,-27.9,;52.85,-31.15,;53.87,-32.3,;51.34,-31.46,;50.31,-30.31,;50.8,-28.85,;49.78,-27.7,;48.27,-28.01,;47.79,-29.49,;48.81,-30.63,;47.24,-26.86,;46.83,-25.37,;48.33,-25.76,;45.9,-27.62,;45.89,-29.16,;44.57,-26.84,;44.56,-28.39,)| 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	248	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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