Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sphingosine 1-phosphate receptor 1' and Ligand = 'BDBM50208889'   

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))	BDBM50208889 (sodium 4-[(4-butoxyphenyl)thio]-20-(1,12-dihydroxy...) Show SMILES CCCCOc1ccc(Sc2ccc(cc2S([O-])(=O)=O)-c2ccccc2C(O)C#CCCCCCCCCCCO)cc1 |w:26.28| Show InChI InChI=1S/C35H44O6S2/c1-2-3-26-41-29-20-22-30(23-21-29)42-34-24-19-28(27-35(34)43(38,39)40)31-16-13-14-17-32(31)33(37)18-12-10-8-6-4-5-7-9-11-15-25-36/h13-14,16-17,19-24,27,33,36-37H,2-11,15,25-26H2,1H3,(H,38,39,40)/p-1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	80	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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