Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Phosphatidylcholine:ceramide cholinephosphotransferase 2' and Ligand = 'BDBM50254230'   

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))	BDBM50254230 (CHEMBL4093733) Show SMILES C(Oc1ccccc1-c1nc2cccnc2o1)c1ccccc1 Show InChI InChI=1S/C19H14N2O2/c1-2-7-14(8-3-1)13-22-17-11-5-4-9-15(17)18-21-16-10-6-12-20-19(16)23-18/h1-12H,13H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60E+4	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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