Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sphingosine kinase 1' and Ligand = 'BDBM174046'   

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))	BDBM174046 (US9688668, 14) Show SMILES CCCCCCCCCCCc1cc(ccc1CO)-c1noc(n1)C1(CC1)C(N)=N Show InChI InChI=1S/C24H36N4O2/c1-2-3-4-5-6-7-8-9-10-11-18-16-19(12-13-20(18)17-29)21-27-23(30-28-21)24(14-15-24)22(25)26/h12-13,16,29H,2-11,14-15,17H2,1H3,(H3,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Virginia Patent Foundation US Patent					Assay Description SphK activity was measured by a scintillation proximity assay as previously described [1], the disclosure of which is incorporated herein. Briefly, r...				US Patent US9688668 (2017) BindingDB Entry DOI: 10.7270/Q29K48C1
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