Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sphingosine kinase 2' and Ligand = 'BDBM50177009'   

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 2 (Homo sapiens (Human))	BDBM50177009 (CHEMBL3814083) Show SMILES Clc1ccc(cc1)C12CC3CC(CC(CC(=O)NCc4ccncc4)(C3)C1)C2 |TLB:8:7:25.9.10:12,10:11:26:25.9.8,THB:8:9:12:26.7.27| Show InChI InChI=1S/C24H27ClN2O/c25-21-3-1-20(2-4-21)24-12-18-9-19(13-24)11-23(10-18,16-24)14-22(28)27-15-17-5-7-26-8-6-17/h1-8,18-19H,9-16H2,(H,27,28)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Tech Curated by ChEMBL					Assay Description Inhibition of human recombinant SphK2 after 2 hrs by HPLC assay				ACS Med Chem Lett 7: 229-34 (2016) Article DOI: 10.1021/acsmedchemlett.5b00304 BindingDB Entry DOI: 10.7270/Q22B90ZN
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