Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sphingosine 1-phosphate receptor 1' and Ligand = 'BDBM50420027'   

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 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50420027 (CHEMBL2032429) Show SMILES CN(CCCc1ccc2oc(nc2c1)-c1ccc(-c2ccccc2)c(c1)C(F)(F)F)CC(O)=O Show InChI InChI=1S/C26H23F3N2O3/c1-31(16-24(32)33)13-5-6-17-9-12-23-22(14-17)30-25(34-23)19-10-11-20(18-7-3-2-4-8-18)21(15-19)26(27,28)29/h2-4,7-12,14-15H,5-6,13,16H2,1H3,(H,32,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.316	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Agonist activity at SIP1 receptor by tango assay				Bioorg Med Chem Lett 22: 3973-7 (2012) Article DOI: 10.1016/j.bmcl.2012.04.095 BindingDB Entry DOI: 10.7270/Q29P32NS
					More data for this Ligand-Target Pair