Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sphingosine 1-phosphate receptor 1' and Ligand = 'BDBM50335505'   

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))	BDBM50335505 (1-((4-(5-benzylthiazolo[4,5-b]pyridin-2-yl)-3-fluo...) Show SMILES OC(=O)C1CN(Cc2ccc(-c3nc4nc(Cc5ccccc5)ccc4s3)c(F)c2)C1 Show InChI InChI=1S/C24H20FN3O2S/c25-20-11-16(12-28-13-17(14-28)24(29)30)6-8-19(20)23-27-22-21(31-23)9-7-18(26-22)10-15-4-2-1-3-5-15/h1-9,11,17H,10,12-14H2,(H,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	144	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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