null

SMILES: NC(=O)Cc1cnc(NC(=O)[C@H]2CC[C@H](CC2)n2cnc3c(N)nc(Cl)nc23)s1

InChI Key:

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50579766   

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))	BDBM50579766 (CHEMBL5093251) Show SMILES NC(=O)Cc1cnc(NC(=O)[C@H]2CC[C@H](CC2)n2cnc3c(N)nc(Cl)nc23)s1 |r,wU:14.17,11.10,(42.59,-9.68,;43.83,-8.78,;43.68,-7.25,;45.24,-9.41,;45.39,-10.95,;44.25,-11.96,;44.87,-13.37,;46.41,-13.23,;47.43,-14.38,;48.94,-14.07,;49.96,-15.22,;49.42,-12.6,;48.4,-11.45,;48.88,-10,;50.38,-9.69,;51.42,-10.82,;50.93,-12.29,;50.86,-8.22,;49.96,-6.98,;50.87,-5.73,;52.33,-6.21,;53.66,-5.44,;53.65,-3.9,;54.99,-6.2,;55,-7.75,;56.33,-8.52,;53.66,-8.52,;52.33,-7.75,;46.73,-11.72,)| 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	5.43E+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))	BDBM50579766 (CHEMBL5093251) Show SMILES NC(=O)Cc1cnc(NC(=O)[C@H]2CC[C@H](CC2)n2cnc3c(N)nc(Cl)nc23)s1 |r,wU:14.17,11.10,(42.59,-9.68,;43.83,-8.78,;43.68,-7.25,;45.24,-9.41,;45.39,-10.95,;44.25,-11.96,;44.87,-13.37,;46.41,-13.23,;47.43,-14.38,;48.94,-14.07,;49.96,-15.22,;49.42,-12.6,;48.4,-11.45,;48.88,-10,;50.38,-9.69,;51.42,-10.82,;50.93,-12.29,;50.86,-8.22,;49.96,-6.98,;50.87,-5.73,;52.33,-6.21,;53.66,-5.44,;53.65,-3.9,;54.99,-6.2,;55,-7.75,;56.33,-8.52,;53.66,-8.52,;52.33,-7.75,;46.73,-11.72,)| 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	88	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