Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sphingosine 1-phosphate receptor 1' and Ligand = 'BDBM50249260'   

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))	BDBM50249260 ((S)-2-amino-3-(4-(2-(2'-chlorobiphenyl-4-yl)ethoxy...) Show SMILES C[C@](N)(COP(O)(O)=O)C(=O)Nc1ccc(OCCc2ccc(cc2)-c2ccccc2Cl)cc1 |r| Show InChI InChI=1S/C24H26ClN2O6P/c1-24(26,16-33-34(29,30)31)23(28)27-19-10-12-20(13-11-19)32-15-14-17-6-8-18(9-7-17)21-4-2-3-5-22(21)25/h2-13H,14-16,26H2,1H3,(H,27,28)(H2,29,30,31)/t24-/m0/s1	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	0.840	n/a	n/a	n/a	n/a	n/a	n/a
Praecis Pharmaceuticals Inc Curated by ChEMBL					Assay Description Displacement of [33P]sphingosine-1-phosphate from human S1P1 receptor				Bioorg Med Chem Lett 19: 2315-9 (2009) Article DOI: 10.1016/j.bmcl.2009.02.073 BindingDB Entry DOI: 10.7270/Q2XD11KJ
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