Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sphingosine kinase 1' and Ligand = 'BDBM50178443'   

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
Sphingosine kinase 1 (Homo sapiens (Human))	BDBM50178443 (CHEMBL3814488) Show SMILES Oc1cc(cc(O)c1O)C(=O)N\N=C\c1ccc(OCc2ccccc2C(F)(F)F)cc1 Show InChI InChI=1S/C22H17F3N2O5/c23-22(24,25)17-4-2-1-3-14(17)12-32-16-7-5-13(6-8-16)11-26-27-21(31)15-9-18(28)20(30)19(29)10-15/h1-11,28-30H,12H2,(H,27,31)/b26-11+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Peking Union Medical College and Chinese Academy of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of GST-tagged full length human recombinant SPHK1 expressed in baculovirus using sphingosine as substrate preincubated for 10 mins measure...				Bioorg Med Chem 24: 3218-30 (2016) Article DOI: 10.1016/j.bmc.2016.05.047 BindingDB Entry DOI: 10.7270/Q2377BN8
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