Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sphingosine 1-phosphate receptor 1' and Ligand = 'BDBM50335510'   

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))	BDBM50335510 (1-(3-fluoro-4-(5-(2-phenylpropan-2-yl)thiazolo[5,4...) Show SMILES CC(C)(c1ccccc1)c1ccc2nc(sc2n1)-c1ccc(CN2CC(C2)C(O)=O)cc1F Show InChI InChI=1S/C26H24FN3O2S/c1-26(2,18-6-4-3-5-7-18)22-11-10-21-24(29-22)33-23(28-21)19-9-8-16(12-20(19)27)13-30-14-17(15-30)25(31)32/h3-12,17H,13-15H2,1-2H3,(H,31,32)	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	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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