Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 353.3 BDBM50458918

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))	BDBM50458918 (CHEMBL4210244) Show SMILES Fc1cccc(F)c1COc1cccc2onc(Nc3cccnc3)c12 Show InChI InChI=1S/C19H13F2N3O2/c20-14-5-1-6-15(21)13(14)11-25-16-7-2-8-17-18(16)19(24-26-17)23-12-4-3-9-22-10-12/h1-10H,11H2,(H,23,24)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	740	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of human SMS2 using C6-NBD-ceramide and DMPC as substrate preincubated for 5 mins followed by substrate addition and measured after 30 min...				J Med Chem 61: 8241-8254 (2018) Article DOI: 10.1021/acs.jmedchem.8b00727 BindingDB Entry DOI: 10.7270/Q2W37ZZH
					More data for this Ligand-Target Pair