null

SMILES: COc1cccc(NC(=O)[C@H]2CC[C@H](CC2)n2cnc3c(N)nc(nc23)-c2cccc(c2)C(N)=O)c1

InChI Key:

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50579749   

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))	BDBM50579749 (CHEMBL5089622) Show SMILES COc1cccc(NC(=O)[C@H]2CC[C@H](CC2)n2cnc3c(N)nc(nc23)-c2cccc(c2)C(N)=O)c1 |r,wU:13.16,10.9,(-1.11,-49.59,;-.08,-50.73,;1.44,-50.41,;1.92,-48.94,;3.43,-48.63,;4.45,-49.78,;3.96,-51.24,;4.99,-52.39,;6.5,-52.08,;7.52,-53.23,;6.98,-50.61,;5.96,-49.46,;6.44,-48,;7.94,-47.69,;8.98,-48.83,;8.49,-50.3,;8.42,-46.23,;7.52,-44.98,;8.43,-43.74,;9.89,-44.22,;11.22,-43.44,;11.21,-41.9,;12.56,-44.2,;12.56,-45.75,;11.22,-46.53,;9.89,-45.76,;13.89,-46.52,;13.89,-48.06,;15.22,-48.83,;16.56,-48.06,;16.55,-46.51,;15.22,-45.75,;17.88,-45.73,;19.22,-46.5,;17.88,-44.19,;2.46,-51.56,)| 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	774	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