Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sphingosine 1-phosphate receptor 3' and Ligand = 'BDBM50337589'   

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))	BDBM50337589 (3-(3-(4-(6-phenylhexyloxy)phenyl)propylamino)propa...) Show SMILES OC(=O)CCNCCCc1ccc(OCCCCCCc2ccccc2)cc1 Show InChI InChI=1S/C24H33NO3/c26-24(27)17-19-25-18-8-12-22-13-15-23(16-14-22)28-20-7-2-1-4-9-21-10-5-3-6-11-21/h3,5-6,10-11,13-16,25H,1-2,4,7-9,12,17-20H2,(H,26,27)	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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