null

SMILES: Nc1nc(Cl)nc2n(cnc12)[C@@H]1CC[C@@H](CC1)C(=O)Nc1ccc2ncsc2c1

InChI Key:

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50579761   

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))	BDBM50579761 (CHEMBL5087533) Show SMILES Nc1nc(Cl)nc2n(cnc12)[C@@H]1CC[C@@H](CC1)C(=O)Nc1ccc2ncsc2c1 |r,wU:11.12,14.19,(14.91,-35.45,;14.92,-37,;16.25,-37.76,;16.26,-39.31,;17.6,-40.08,;14.92,-40.08,;13.59,-39.31,;12.12,-39.79,;11.22,-38.54,;12.12,-37.29,;13.59,-37.77,;11.64,-41.25,;10.14,-41.56,;9.66,-43.02,;10.68,-44.17,;12.19,-43.85,;12.68,-42.39,;10.2,-45.63,;11.22,-46.78,;8.69,-45.95,;7.66,-44.79,;8.15,-43.34,;7.13,-42.19,;5.62,-42.5,;4.36,-41.58,;3.1,-42.49,;3.58,-43.97,;5.13,-43.97,;6.16,-45.12,)| 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	3.36E+3	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))	BDBM50579761 (CHEMBL5087533) Show SMILES Nc1nc(Cl)nc2n(cnc12)[C@@H]1CC[C@@H](CC1)C(=O)Nc1ccc2ncsc2c1 |r,wU:11.12,14.19,(14.91,-35.45,;14.92,-37,;16.25,-37.76,;16.26,-39.31,;17.6,-40.08,;14.92,-40.08,;13.59,-39.31,;12.12,-39.79,;11.22,-38.54,;12.12,-37.29,;13.59,-37.77,;11.64,-41.25,;10.14,-41.56,;9.66,-43.02,;10.68,-44.17,;12.19,-43.85,;12.68,-42.39,;10.2,-45.63,;11.22,-46.78,;8.69,-45.95,;7.66,-44.79,;8.15,-43.34,;7.13,-42.19,;5.62,-42.5,;4.36,-41.58,;3.1,-42.49,;3.58,-43.97,;5.13,-43.97,;6.16,-45.12,)| 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	138	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