null

SMILES: CC(C)N1CCc2nc(NC(=O)[C@H]3CC[C@H](CC3)n3cnc4c(N)nc(Cl)nc34)sc2C1

InChI Key:

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50579778   

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))	BDBM50579778 (CHEMBL5078057) Show SMILES CC(C)N1CCc2nc(NC(=O)[C@H]3CC[C@H](CC3)n3cnc4c(N)nc(Cl)nc34)sc2C1 |r,wU:15.18,12.11,(45.88,-7.03,;44.73,-8.05,;43.27,-7.57,;45.05,-9.56,;43.9,-10.59,;44.22,-12.09,;45.68,-12.56,;46.29,-13.97,;47.83,-13.82,;48.86,-14.97,;50.37,-14.66,;51.39,-15.81,;50.85,-13.2,;49.83,-12.04,;50.31,-10.59,;51.81,-10.28,;52.85,-11.41,;52.36,-12.88,;52.29,-8.81,;51.39,-7.57,;52.29,-6.32,;53.76,-6.8,;55.09,-6.02,;55.08,-4.48,;56.42,-6.79,;56.43,-8.34,;57.76,-9.11,;55.09,-9.11,;53.76,-8.34,;48.15,-12.31,;46.82,-11.54,;46.5,-10.04,)| 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))	BDBM50579778 (CHEMBL5078057) Show SMILES CC(C)N1CCc2nc(NC(=O)[C@H]3CC[C@H](CC3)n3cnc4c(N)nc(Cl)nc34)sc2C1 |r,wU:15.18,12.11,(45.88,-7.03,;44.73,-8.05,;43.27,-7.57,;45.05,-9.56,;43.9,-10.59,;44.22,-12.09,;45.68,-12.56,;46.29,-13.97,;47.83,-13.82,;48.86,-14.97,;50.37,-14.66,;51.39,-15.81,;50.85,-13.2,;49.83,-12.04,;50.31,-10.59,;51.81,-10.28,;52.85,-11.41,;52.36,-12.88,;52.29,-8.81,;51.39,-7.57,;52.29,-6.32,;53.76,-6.8,;55.09,-6.02,;55.08,-4.48,;56.42,-6.79,;56.43,-8.34,;57.76,-9.11,;55.09,-9.11,;53.76,-8.34,;48.15,-12.31,;46.82,-11.54,;46.5,-10.04,)| 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	43	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