Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sphingosine 1-phosphate receptor 3' and Ligand = 'BDBM50419969'   

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 3 (Homo sapiens (Human))	BDBM50419969 (CHEMBL2011743) Show SMILES CCCCN(C(=O)c1ccc(cc1)C(F)(F)F)c1nnc(s1)-c1ccc2cc[nH]c2c1 Show InChI InChI=1S/C22H19F3N4OS/c1-2-3-12-29(20(30)15-6-8-17(9-7-15)22(23,24)25)21-28-27-19(31-21)16-5-4-14-10-11-26-18(14)13-16/h4-11,13,26H,2-3,12H2,1H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Agonist activity at human S1P3R expressed in HEK293T cells by Ca(2+) mobilization assay				Bioorg Med Chem Lett 22: 2456-9 (2012) Article DOI: 10.1016/j.bmcl.2012.02.016 BindingDB Entry DOI: 10.7270/Q2571D1C
					More data for this Ligand-Target Pair