Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sphingosine 1-phosphate receptor 1' and Ligand = 'BDBM50208885'   

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))	BDBM50208885 (CHEMBL392155 | sodium 4-[(4-butoxyphenyl)thio]-20-...) Show SMILES CCCCOc1ccc(Sc2ccc(cc2S([O-])(=O)=O)-c2ccccc2C(O)C#CCOCCCO)cc1 |w:26.28| Show InChI InChI=1S/C29H32O7S2/c1-2-3-20-36-23-12-14-24(15-13-23)37-28-16-11-22(21-29(28)38(32,33)34)25-8-4-5-9-26(25)27(31)10-6-18-35-19-7-17-30/h4-5,8-9,11-16,21,27,30-31H,2-3,7,17-20H2,1H3,(H,32,33,34)/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	>2.00E+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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