Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sphingosine 1-phosphate receptor 1' and Ligand = 'BDBM50208903'   

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))	BDBM50208903 (CHEMBL239873 | sodium 4-[(4-octyloxyphenyl)thio]-2...) Show SMILES CCCCCCCCCCC#CC(O)c1ccccc1-c1ccc(Sc2ccc(OCCCCCCCC)cc2)c(c1)S([O-])(=O)=O |w:12.12| Show InChI InChI=1S/C39H52O5S2/c1-3-5-7-9-11-12-13-14-15-17-23-37(40)36-22-19-18-21-35(36)32-24-29-38(39(31-32)46(41,42)43)45-34-27-25-33(26-28-34)44-30-20-16-10-8-6-4-2/h18-19,21-22,24-29,31,37,40H,3-16,20,30H2,1-2H3,(H,41,42,43)/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	>2.40E+3	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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