Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sphingosine 1-phosphate receptor 3' and Ligand = 'BDBM50186921'   

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))	BDBM50186921 (3-(4-(5-(4-isopropoxy-3-methylphenyl)-1,2,4-oxadia...) Show SMILES CC(C)Oc1ccc(cc1C)-c1nc(no1)-c1ccc(CCC(O)=O)cc1C Show InChI InChI=1S/C22H24N2O4/c1-13(2)27-19-9-7-17(12-15(19)4)22-23-21(24-28-22)18-8-5-16(11-14(18)3)6-10-20(25)26/h5,7-9,11-13H,6,10H2,1-4H3,(H,25,26)	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	460	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Agonist activity at S1P3 receptor expressed in CHO cells measured as S1P-induced [35S]GTPgammaS uptake				Bioorg Med Chem Lett 16: 3679-83 (2006) Article DOI: 10.1016/j.bmcl.2006.04.084 BindingDB Entry DOI: 10.7270/Q2J67GJ8
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