Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sphingosine kinase 1' and Ligand = 'BDBM50407509'   

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))	BDBM50407509 (CHEMBL5278394) Show SMILES CCOc1ccc2nc(N)nc(N)c2c1Sc1ccc(cc1)C(C)(C)C Show InChI InChI=1S/C20H24N4OS/c1-5-25-15-11-10-14-16(18(21)24-19(22)23-14)17(15)26-13-8-6-12(7-9-13)20(2,3)4/h6-11H,5H2,1-4H3,(H4,21,22,23,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	>6.50E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Functional H2 receptor antagonistic activity in vitro assay on the isolated spontaneously beating guinea-pig right atrium				Citation and Details
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