Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Phosphatidylcholine:ceramide cholinephosphotransferase 1' and Ligand = 'BDBM50117853'   

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 1 (Homo sapiens (Human))	BDBM50117853 (CHEMBL3613995) Show SMILES COc1cccc(NC(=O)COc2ccc(cc2)S(=O)(=O)NCCc2ccccc2)c1 Show InChI InChI=1S/C23H24N2O5S/c1-29-21-9-5-8-19(16-21)25-23(26)17-30-20-10-12-22(13-11-20)31(27,28)24-15-14-18-6-3-2-4-7-18/h2-13,16,24H,14-15,17H2,1H3,(H,25,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of sphingomyelin synthase-1 (unknown origin) expressed in HeLa cells using C6-NBD-Cer and DMPC as substrate after 2 hrs by fluorescent HPL...				Bioorg Med Chem 23: 6173-84 (2015) Article DOI: 10.1016/j.bmc.2015.07.060 BindingDB Entry DOI: 10.7270/Q2NG4SF6
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