Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sphingosine 1-phosphate receptor 3' and Ligand = 'BDBM50203765'   

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))	BDBM50203765 ((E)-5-[1-(4-cetyloxyphenyl)-1-phenylmethylene]sulf...) Show SMILES CCCCCCCCCCCCCCCCOc1ccc(cc1)C(=N\NS(=O)(=O)c1cc(cc(c1)C(O)=O)C(O)=O)\c1ccccc1 Show InChI InChI=1S/C37H48N2O7S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-25-46-33-23-21-30(22-24-33)35(29-19-16-15-17-20-29)38-39-47(44,45)34-27-31(36(40)41)26-32(28-34)37(42)43/h15-17,19-24,26-28,39H,2-14,18,25H2,1H3,(H,40,41)(H,42,43)/b38-35+	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.74E+3	n/a	n/a	n/a	n/a	n/a	n/a
TOA EIYO Ltd. Curated by ChEMBL					Assay Description Antagonist activity against human S1P3 receptor assessed as inhibition of S1P-induced intracellular calcium mobilization in CHO-K1 cells				J Med Chem 50: 442-54 (2007) Article DOI: 10.1021/jm060834d BindingDB Entry DOI: 10.7270/Q2NG4Q84
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