Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sphingosine 1-phosphate receptor 1' and Ligand = 'BDBM50208900'   

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))	BDBM50208900 (CHEMBL396365 | sodium 4-[(4-butoxyphenyl)thio]-20-...) Show SMILES CCCCOc1ccc(Sc2ccc(cc2S([O-])(=O)=O)-c2ccccc2C(O)C#CCOCCCCCCCCCCCO)cc1 |w:26.28| Show InChI InChI=1S/C37H48O7S2/c1-2-3-28-44-31-20-22-32(23-21-31)45-36-24-19-30(29-37(36)46(40,41)42)33-16-11-12-17-34(33)35(39)18-15-27-43-26-14-10-8-6-4-5-7-9-13-25-38/h11-12,16-17,19-24,29,35,38-39H,2-10,13-14,25-28H2,1H3,(H,40,41,42)/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	130	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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