Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sphingosine 1-phosphate receptor 1' and Ligand = 'BDBM50335516'   

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))	BDBM50335516 (1-((3-fluoro-4-(5-(1-phenylcyclohexyl)thiazolo[5,4...) Show SMILES OC(=O)C1CN(Cc2ccc(-c3nc4ccc(nc4s3)C3(CCCCC3)c3ccccc3)c(F)c2)C1 Show InChI InChI=1S/C29H28FN3O2S/c30-23-15-19(16-33-17-20(18-33)28(34)35)9-10-22(23)26-31-24-11-12-25(32-27(24)36-26)29(13-5-2-6-14-29)21-7-3-1-4-8-21/h1,3-4,7-12,15,20H,2,5-6,13-14,16-18H2,(H,34,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	33	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Induction of human GFP-tagged chimeric S1P1R internalization in human U2Os cells by fluorescence microscopy				ACS Med Chem Lett 2: 107-112 (2011) Article DOI: 10.1021/ml100306h BindingDB Entry DOI: 10.7270/Q2H995G4
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