Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sphingosine 1-phosphate receptor 1' and Ligand = 'BDBM50208890'   

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 1 (Homo sapiens (Human))	BDBM50208890 (CHEMBL239868 | sodium 4-(3-ethoxyphenoxy)-20-(1-hy...) Show SMILES CCCCCCCCCCC#CC(O)c1ccccc1-c1ccc(Oc2cccc(OCC)c2)c(c1)S([O-])(=O)=O |w:12.12| Show InChI InChI=1S/C33H40O6S/c1-3-5-6-7-8-9-10-11-12-13-21-31(34)30-20-15-14-19-29(30)26-22-23-32(33(24-26)40(35,36)37)39-28-18-16-17-27(25-28)38-4-2/h14-20,22-25,31,34H,3-12H2,1-2H3,(H,35,36,37)/p-1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sankyo Co., Ltd Curated by ChEMBL					Assay Description Antagonist activity at human S1P1 receptor expressed in CHO cell membrane by cAMP assay				Bioorg Med Chem 15: 3548-64 (2007) Article DOI: 10.1016/j.bmc.2007.02.048 BindingDB Entry DOI: 10.7270/Q2NP258T
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