Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sphingosine kinase 1' and Ligand = 'BDBM50438127'   

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))	BDBM50438127 (CHEMBL2407119) Show SMILES OC[C@H]1CCCCN1CCc1ccc(Nc2nc(cs2)-c2ccccc2Cl)cc1 |r| Show InChI InChI=1S/C23H26ClN3OS/c24-21-7-2-1-6-20(21)22-16-29-23(26-22)25-18-10-8-17(9-11-18)12-14-27-13-4-3-5-19(27)15-28/h1-2,6-11,16,19,28H,3-5,12-15H2,(H,25,26)/t19-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of purified human SphK1 assessed as inhibition of formation of [33P]-S1P after 50 mins by scintillation counting				Bioorg Med Chem Lett 23: 4608-16 (2013) Article DOI: 10.1016/j.bmcl.2013.06.030 BindingDB Entry DOI: 10.7270/Q2736SB3
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