Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 315.3 BDBM50446999

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))	BDBM50446999 (CHEMBL3116247) Show SMILES N#CC(Nc1cccnc1)c1ccccc1OCc1ccccc1 Show InChI InChI=1S/C20H17N3O/c21-13-19(23-17-9-6-12-22-14-17)18-10-4-5-11-20(18)24-15-16-7-2-1-3-8-16/h1-12,14,19,23H,15H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.50E+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