Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sphingosine 1-phosphate receptor 3' and Ligand = 'BDBM50065609'   

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))	BDBM50065609 (CHEMBL3401381) Show SMILES CCC(CC)CC1(O)CCN(CC1)C(=O)Nc1cc(Oc2ccc(F)cc2)cc(Oc2ccc(cc2)S(C)(=O)=O)c1 Show InChI InChI=1S/C31H37FN2O6S/c1-4-22(5-2)21-31(36)14-16-34(17-15-31)30(35)33-24-18-27(39-25-8-6-23(32)7-9-25)20-28(19-24)40-26-10-12-29(13-11-26)41(3,37)38/h6-13,18-20,22,36H,4-5,14-17,21H2,1-3H3,(H,33,35)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>800	n/a	n/a	n/a	n/a	n/a	n/a
Ono Pharmaceutical Co. Curated by ChEMBL					Assay Description Antagonist activity at human S1P3 receptor overexpressed in CHO cells assessed as increase in intracellular calcium ion concentration after 3 mins by...				Bioorg Med Chem Lett 25: 1479-82 (2015) Article DOI: 10.1016/j.bmcl.2015.02.029 BindingDB Entry DOI: 10.7270/Q2D79D3G
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