Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sphingosine kinase 1' and Ligand = 'BDBM50438133'   

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))	BDBM50438133 (CHEMBL2409859) Show SMILES OC[C@H]1CCCCN1CCc1ccc(Nc2nc(cs2)-c2ccc3ccccc3c2)cc1 |r| Show InChI InChI=1S/C27H29N3OS/c31-18-25-7-3-4-15-30(25)16-14-20-8-12-24(13-9-20)28-27-29-26(19-32-27)23-11-10-21-5-1-2-6-22(21)17-23/h1-2,5-6,8-13,17,19,25,31H,3-4,7,14-16,18H2,(H,28,29)/t25-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	80	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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