Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 339.3 BDBM50447003

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))	BDBM50447003 (CHEMBL3116084) Show SMILES N#CC(Nc1ccccc1C#N)c1ccccc1OCc1ccccc1 Show InChI InChI=1S/C22H17N3O/c23-14-18-10-4-6-12-20(18)25-21(15-24)19-11-5-7-13-22(19)26-16-17-8-2-1-3-9-17/h1-13,21,25H,16H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.03E+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