Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sphingosine 1-phosphate receptor 3' and Ligand = 'BDBM50337596'   

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))	BDBM50337596 (CHEMBL1683048 | cis-3-(3-(4-(3-phenylpropoxy)pheny...) Show SMILES C\C(=C\CNCCC(O)=O)c1ccc(OCCCc2ccccc2)cc1 Show InChI InChI=1S/C22H27NO3/c1-18(13-15-23-16-14-22(24)25)20-9-11-21(12-10-20)26-17-5-8-19-6-3-2-4-7-19/h2-4,6-7,9-13,23H,5,8,14-17H2,1H3,(H,24,25)/b18-13-	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
Ono Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Agonist activity at human S1P3 receptor expressed in CHO cells assessed as intracellular calcium levels				Bioorg Med Chem Lett 21: 1390-3 (2011) Article DOI: 10.1016/j.bmcl.2011.01.029 BindingDB Entry DOI: 10.7270/Q26973VP
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