Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 357.4 BDBM50447002

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))	BDBM50447002 (CHEMBL3116085) Show SMILES NC(=O)c1ccc(NC(C#N)c2ccccc2OCc2ccccc2)cc1 Show InChI InChI=1S/C22H19N3O2/c23-14-20(25-18-12-10-17(11-13-18)22(24)26)19-8-4-5-9-21(19)27-15-16-6-2-1-3-7-16/h1-13,20,25H,15H2,(H2,24,26)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.05E+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
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