Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 332.3 BDBM50254232

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))	BDBM50254232 (CHEMBL4076807) Show SMILES COc1cccc(COc2ccccc2-c2nc3cccnc3o2)c1 Show InChI InChI=1S/C20H16N2O3/c1-23-15-7-4-6-14(12-15)13-24-18-10-3-2-8-16(18)19-22-17-9-5-11-21-20(17)25-19/h2-12H,13H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Department of Medicinal Chemistry, School of Pharmacy, Fudan University, No. 826, Zhangheng Rd., Shanghai 201203, China. Curated by ChEMBL					Assay Description Inhibition of purified SMS2 (unknown origin) pre-incubated for 5 mins followed by DMPC and C6-NBD-ceramide addition and measured after 30 mins by HPL...				Bioorg Med Chem Lett 27: 3511-3515 (2017) Article DOI: 10.1016/j.bmcl.2017.05.074 BindingDB Entry DOI: 10.7270/Q28918BC
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