Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Phosphatidylcholine:ceramide cholinephosphotransferase 1' and Ligand = 'BDBM50117850'   

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))	BDBM50117850 (CHEMBL3613992) Show SMILES [O-][N+](=O)c1ccccc1NC(=O)COc1ccc(cc1)S(=O)(=O)NCCc1ccccc1 Show InChI InChI=1S/C22H21N3O6S/c26-22(24-20-8-4-5-9-21(20)25(27)28)16-31-18-10-12-19(13-11-18)32(29,30)23-15-14-17-6-2-1-3-7-17/h1-13,23H,14-16H2,(H,24,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	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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