Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sphingosine 1-phosphate receptor 1' and Ligand = 'BDBM50315551'   

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))	BDBM50315551 ((S)-methyl 5-(2-amino-2-methyl-3-(phosphonooxy)pro...) Show SMILES COC(=O)c1cc(NC(=O)[C@@](C)(N)COP(O)(O)=O)ccc1OCCc1ccc(cc1)-c1ccccc1 |r| Show InChI InChI=1S/C26H29N2O8P/c1-26(27,17-36-37(31,32)33)25(30)28-21-12-13-23(22(16-21)24(29)34-2)35-15-14-18-8-10-20(11-9-18)19-6-4-3-5-7-19/h3-13,16H,14-15,17,27H2,1-2H3,(H,28,30)(H2,31,32,33)/t26-/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	21	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 expressed in HEK293T cells after 60 mins by scintillation counting				Bioorg Med Chem Lett 20: 2520-4 (2010) Article DOI: 10.1016/j.bmcl.2010.02.098 BindingDB Entry DOI: 10.7270/Q2XS5VJB
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