Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sphingosine kinase 1' and Ligand = 'BDBM50343832'   

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))	BDBM50343832 ((S)-1-(4-(9-cyclohexylnonyl)benzoyl)pyrrolidine-2-...) Show SMILES NC(=N)[C@@H]1CCCN1C(=O)c1ccc(CCCCCCCCCC2CCCCC2)cc1 |r| Show InChI InChI=1S/C27H43N3O/c28-26(29)25-16-11-21-30(25)27(31)24-19-17-23(18-20-24)15-8-5-3-1-2-4-7-12-22-13-9-6-10-14-22/h17-20,22,25H,1-16,21H2,(H3,28,29)/t25-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	99	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 recombinant SPHK1 expressed in baculovirus-infected Sf9 cells				J Med Chem 54: 3524-48 (2011) Article DOI: 10.1021/jm2001053 BindingDB Entry DOI: 10.7270/Q21V5F9V
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