Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 328.4 BDBM50447009Purchase

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 1 hit in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Phosphatidylcholine:ceramide cholinephosphotransferase 2 (Homo sapiens (Human))	BDBM50447009 (CHEMBL3116079) Show SMILES Cc1ccccc1NC(C#N)c1ccccc1OCc1ccccc1 Show InChI InChI=1S/C22H20N2O/c1-17-9-5-7-13-20(17)24-21(15-23)19-12-6-8-14-22(19)25-16-18-10-3-2-4-11-18/h2-14,21,24H,16H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.72E+4	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of SMS2 (unknown origin) expressed in H5 insect cells using C6-NBD-Cer as substrate after 1 hr				Eur J Med Chem 73: 1-7 (2014) Article DOI: 10.1016/j.ejmech.2013.12.002 BindingDB Entry DOI: 10.7270/Q2805430
					More data for this Ligand-Target Pair