Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sphingosine kinase 1' and Ligand = 'BDBM50017017'   

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))	BDBM50017017 (CHEMBL3287037) Show SMILES Oc1ccc(CCNC(=O)C23CC4CC(C2)CC(C4)(C3)c2ccc(Cl)cc2)cc1O |TLB:18:17:11.12.13:15,THB:18:12:15:19.17.16,16:17:11:13.14.15,16:14:11:19.18.17,20:17:11:13.14.15,20:17:11.12.13:15| Show InChI InChI=1S/C25H28ClNO3/c26-20-4-2-19(3-5-20)24-11-17-9-18(12-24)14-25(13-17,15-24)23(30)27-8-7-16-1-6-21(28)22(29)10-16/h1-6,10,17-18,28-29H,7-9,11-15H2,(H,27,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
500 University Drive Curated by ChEMBL					Assay Description Competitive inhibition of human recombinant SphK1 using sphingosine and ATP as substrate by ADP-Quest kinase assay				J Med Chem 57: 5509-24 (2014) Article DOI: 10.1021/jm4011687 BindingDB Entry DOI: 10.7270/Q2474CF5
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