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SMILES: Nc1nc(Cl)nc2n(cnc12)[C@@H]1CC[C@@H](CC1)C(=O)Nc1nc2c(F)cc(F)cc2s1

InChI Key:

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50579776   

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))	BDBM50579776 (CHEMBL5077317) Show SMILES Nc1nc(Cl)nc2n(cnc12)[C@@H]1CC[C@@H](CC1)C(=O)Nc1nc2c(F)cc(F)cc2s1 |r,wU:11.12,14.19,(14.86,-2.51,;14.86,-4.06,;16.2,-4.82,;16.21,-6.37,;17.54,-7.14,;14.87,-7.14,;13.53,-6.37,;12.07,-6.85,;11.16,-5.6,;12.07,-4.35,;13.53,-4.83,;11.59,-8.31,;10.08,-8.62,;9.6,-10.08,;10.63,-11.23,;12.14,-10.91,;12.62,-9.45,;10.14,-12.69,;11.17,-13.84,;8.63,-13.01,;7.61,-11.85,;6.07,-12,;5.45,-10.59,;4,-10.11,;2.85,-11.14,;3.68,-8.62,;4.83,-7.59,;4.52,-6.08,;6.29,-8.07,;6.6,-9.57,;7.93,-10.34,)| 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))	BDBM50579776 (CHEMBL5077317) Show SMILES Nc1nc(Cl)nc2n(cnc12)[C@@H]1CC[C@@H](CC1)C(=O)Nc1nc2c(F)cc(F)cc2s1 |r,wU:11.12,14.19,(14.86,-2.51,;14.86,-4.06,;16.2,-4.82,;16.21,-6.37,;17.54,-7.14,;14.87,-7.14,;13.53,-6.37,;12.07,-6.85,;11.16,-5.6,;12.07,-4.35,;13.53,-4.83,;11.59,-8.31,;10.08,-8.62,;9.6,-10.08,;10.63,-11.23,;12.14,-10.91,;12.62,-9.45,;10.14,-12.69,;11.17,-13.84,;8.63,-13.01,;7.61,-11.85,;6.07,-12,;5.45,-10.59,;4,-10.11,;2.85,-11.14,;3.68,-8.62,;4.83,-7.59,;4.52,-6.08,;6.29,-8.07,;6.6,-9.57,;7.93,-10.34,)| 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	97	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