Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Phosphatidylcholine:ceramide cholinephosphotransferase 1' and Ligand = 'BDBM50182488'   

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))	BDBM50182488 (CHEMBL3819036) Show SMILES Oc1ccc(CCCCCCCCC(=O)c2c(O)cc(O)cc2O)cc1 Show InChI InChI=1S/C21H26O5/c22-16-11-9-15(10-12-16)7-5-3-1-2-4-6-8-18(24)21-19(25)13-17(23)14-20(21)26/h9-14,22-23,25-26H,1-8H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Hokkaido University Curated by ChEMBL					Assay Description Inhibition of SMS1 (unknown origin) stably expressed in mouse ZS cells using C6-NBD-ceramide as substrate preincubated for 30 mins followed by substr...				ACS Med Chem Lett 10: 1154-1158 (2019) Article DOI: 10.1021/acsmedchemlett.9b00171 BindingDB Entry DOI: 10.7270/Q2WS8XPS
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