Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sphingosine kinase 1' and Ligand = 'BDBM50175280'   

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))	BDBM50175280 (CHEMBL3809162) Show SMILES Cl.CCCCCCCCCCc1cccc(c1)-c1noc(n1)C1(CC1)C(N)=N Show InChI InChI=1S/C22H32N4O.ClH/c1-2-3-4-5-6-7-8-9-11-17-12-10-13-18(16-17)19-25-21(27-26-19)22(14-15-22)20(23)24;/h10,12-13,16H,2-9,11,14-15H2,1H3,(H3,23,24);1H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Virginia Curated by ChEMBL					Assay Description Inhibition of human SphK1 expressed in baculovirus infected in Sf9 cells using D-erythro-sphingosine as substrate and [gamma-32P]ATP by scintillation...				ACS Med Chem Lett 7: 487-92 (2016) Article DOI: 10.1021/acsmedchemlett.6b00002 BindingDB Entry DOI: 10.7270/Q2CV4KP5
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