Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 342.3 BDBM50458923

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))	BDBM50458923 (CHEMBL4208469) Show SMILES N#Cc1ccc(COc2cccc3onc(Nc4cccnc4)c23)cc1 Show InChI InChI=1S/C20H14N4O2/c21-11-14-6-8-15(9-7-14)13-25-17-4-1-5-18-19(17)20(24-26-18)23-16-3-2-10-22-12-16/h1-10,12H,13H2,(H,23,24)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	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
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