Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sphingosine 1-phosphate receptor 3' and Ligand = 'BDBM50203776'   

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))	BDBM50203776 ((Z)-5-[1-(4-octyloxy-3-methoxyphenyl)-1-phenylmeth...) Show SMILES CCCCCCCCOc1ccc(cc1OC)C(=N/NS(=O)(=O)c1cc(cc(c1)C(O)=O)C(O)=O)\c1ccccc1 Show InChI InChI=1S/C30H34N2O8S/c1-3-4-5-6-7-11-16-40-26-15-14-22(20-27(26)39-2)28(21-12-9-8-10-13-21)31-32-41(37,38)25-18-23(29(33)34)17-24(19-25)30(35)36/h8-10,12-15,17-20,32H,3-7,11,16H2,1-2H3,(H,33,34)(H,35,36)/b31-28-	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.32E+4	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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