Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 316.3 BDBM50254217

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))	BDBM50254217 (CHEMBL4092416) Show SMILES Cc1ccccc1COc1ccccc1-c1nc2cccnc2o1 Show InChI InChI=1S/C20H16N2O2/c1-14-7-2-3-8-15(14)13-23-18-11-5-4-9-16(18)19-22-17-10-6-12-21-20(17)24-19/h2-12H,13H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70E+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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