Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sphingosine 1-phosphate receptor 1' and Ligand = 'BDBM50208888'   

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))	BDBM50208888 (CHEMBL239867 | sodium 4-(4-ethoxyphenoxy)-20-(1-hy...) Show SMILES CCCCCCCCCCC#CC(O)c1ccccc1-c1ccc(Oc2ccc(OCC)cc2)c(c1)S([O-])(=O)=O |w:12.12| Show InChI InChI=1S/C33H40O6S/c1-3-5-6-7-8-9-10-11-12-13-18-31(34)30-17-15-14-16-29(30)26-19-24-32(33(25-26)40(35,36)37)39-28-22-20-27(21-23-28)38-4-2/h14-17,19-25,31,34H,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	400	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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