Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sphingosine kinase 1' and Ligand = 'BDBM50407510'   

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))	BDBM50407510 (PACHASTRISSAMINE | Pachastrissamine) Show SMILES Nc1nc(N)c2c(Sc3ccc(F)cc3)cccc2n1 Show InChI InChI=1S/C14H11FN4S/c15-8-4-6-9(7-5-8)20-11-3-1-2-10-12(11)13(16)19-14(17)18-10/h1-7H,(H4,16,17,18,19)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	4.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Functional Histamine H1 receptor antagonistic activity in vitro assay on guinea pig ileum				Citation and Details
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