null

SMILES: Nc1ncnc2n(cnc12)[C@@H]1CC[C@@H](CC1)C(=O)Nc1cccc(c1)S(=O)(=O)C(F)(F)F

InChI Key:

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50579729   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Choline/ethanolamine kinase (Homo sapiens (Human))	BDBM50579729 (CHEMBL5092659) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1CC[C@@H](CC1)C(=O)Nc1cccc(c1)S(=O)(=O)C(F)(F)F |r,wU:10.11,13.18,(37.09,-3.67,;37.1,-5.21,;38.44,-5.97,;38.44,-7.52,;37.1,-8.29,;35.77,-7.52,;34.3,-8,;33.4,-6.75,;34.31,-5.51,;35.77,-5.98,;33.83,-9.46,;32.32,-9.77,;31.84,-11.23,;32.86,-12.38,;34.37,-12.07,;34.86,-10.6,;32.38,-13.84,;33.4,-14.99,;30.87,-14.16,;29.85,-13.01,;30.33,-11.55,;29.31,-10.4,;27.8,-10.71,;27.32,-12.18,;28.35,-13.33,;25.8,-12.5,;26.2,-13.99,;24.71,-13.59,;24.78,-11.35,;23.27,-11.67,;25.26,-9.89,;23.68,-10.25,)| 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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of ChoKbeta (unknown origin) by HTS assay				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128310 BindingDB Entry DOI: 10.7270/Q27H1PFF
					More data for this Ligand-Target Pair
Choline kinase alpha (Homo sapiens (Human))	BDBM50579729 (CHEMBL5092659) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1CC[C@@H](CC1)C(=O)Nc1cccc(c1)S(=O)(=O)C(F)(F)F |r,wU:10.11,13.18,(37.09,-3.67,;37.1,-5.21,;38.44,-5.97,;38.44,-7.52,;37.1,-8.29,;35.77,-7.52,;34.3,-8,;33.4,-6.75,;34.31,-5.51,;35.77,-5.98,;33.83,-9.46,;32.32,-9.77,;31.84,-11.23,;32.86,-12.38,;34.37,-12.07,;34.86,-10.6,;32.38,-13.84,;33.4,-14.99,;30.87,-14.16,;29.85,-13.01,;30.33,-11.55,;29.31,-10.4,;27.8,-10.71,;27.32,-12.18,;28.35,-13.33,;25.8,-12.5,;26.2,-13.99,;24.71,-13.59,;24.78,-11.35,;23.27,-11.67,;25.26,-9.89,;23.68,-10.25,)| 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	236	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
					More data for this Ligand-Target Pair