Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sphingosine 1-phosphate receptor 1' and Ligand = 'BDBM50335466'   

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))	BDBM50335466 (1-(4-(5-butoxybenzofuran-2-yl)-3-chlorobenzyl)azet...) Show SMILES CCCCOc1ccc2oc(cc2c1)-c1ccc(CN2CC(C2)C(O)=O)cc1Cl Show InChI InChI=1S/C23H24ClNO4/c1-2-3-8-28-18-5-7-21-16(10-18)11-22(29-21)19-6-4-15(9-20(19)24)12-25-13-17(14-25)23(26)27/h4-7,9-11,17H,2-3,8,12-14H2,1H3,(H,26,27)	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	158	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: 97-101 (2011) Article DOI: 10.1021/ml100227q BindingDB Entry DOI: 10.7270/Q2WM1DP6
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