Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sphingosine 1-phosphate receptor 1' and Ligand = 'BDBM50360521'   

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))	BDBM50360521 (CHEMBL1935666) Show SMILES CC(C)(C)c1ccc(COc2ccc(CCC3(COC(=O)N3)C(N)=O)cc2)cc1 Show InChI InChI=1S/C23H28N2O4/c1-22(2,3)18-8-4-17(5-9-18)14-28-19-10-6-16(7-11-19)12-13-23(20(24)26)15-29-21(27)25-23/h4-11H,12-15H2,1-3H3,(H2,24,26)(H,25,27)	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	2.72E+3	n/a	n/a	n/a	n/a
Institute of Pharmacology& Toxicology Curated by ChEMBL					Assay Description Agonist activity at EGFP-tagged S1P1 receptor expressed in human UOS2 cells assessed as receptor internalization in endosomes after 60 mins				Bioorg Med Chem Lett 22: 553-7 (2011) Article DOI: 10.1016/j.bmcl.2011.10.088 BindingDB Entry DOI: 10.7270/Q2154HGN
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