null

SMILES: COc1cccc(NC(=O)[C@H]2CC[C@H](CC2)n2cnc3c(N)ncnc23)c1

InChI Key:

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50579740   

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 kinase alpha (Homo sapiens (Human))	BDBM50579740 (CHEMBL5075081) Show SMILES COc1cccc(NC(=O)[C@H]2CC[C@H](CC2)n2cnc3c(N)ncnc23)c1 |r,wU:10.9,13.16,(19.17,-18.87,;20.21,-20.01,;21.71,-19.69,;22.19,-18.22,;23.7,-17.9,;24.73,-19.05,;24.24,-20.51,;25.27,-21.66,;26.78,-21.34,;27.81,-22.5,;27.26,-19.88,;26.24,-18.73,;26.72,-17.27,;28.23,-16.96,;29.27,-18.1,;28.77,-19.57,;28.7,-15.5,;27.81,-14.25,;28.71,-13,;30.18,-13.48,;31.51,-12.7,;31.5,-11.16,;32.84,-13.47,;32.85,-15.02,;31.51,-15.79,;30.18,-15.02,;22.74,-20.83,)| 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	332	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