Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Sphingosine 1-phosphate receptor 1' and Ligand = 'BDBM50277149'   

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))	BDBM50277149 ((S)-2-amino-3-(3-fluoro-4-(octyloxy)phenylamino)-2...) Show SMILES CCCCCCCCOc1ccc(NC(=O)[C@@](C)(N)COP(O)(O)=O)cc1F |r| Show InChI InChI=1S/C18H30FN2O6P/c1-3-4-5-6-7-8-11-26-16-10-9-14(12-15(16)19)21-17(22)18(2,20)13-27-28(23,24)25/h9-10,12H,3-8,11,13,20H2,1-2H3,(H,21,22)(H2,23,24,25)/t18-/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	0.140	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: 369-72 (2008) Article DOI: 10.1016/j.bmcl.2008.11.072 BindingDB Entry DOI: 10.7270/Q2H70FNK
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50277149 ((S)-2-amino-3-(3-fluoro-4-(octyloxy)phenylamino)-2...) Show SMILES CCCCCCCCOc1ccc(NC(=O)[C@@](C)(N)COP(O)(O)=O)cc1F |r| Show InChI InChI=1S/C18H30FN2O6P/c1-3-4-5-6-7-8-11-26-16-10-9-14(12-15(16)19)21-17(22)18(2,20)13-27-28(23,24)25/h9-10,12H,3-8,11,13,20H2,1-2H3,(H,21,22)(H2,23,24,25)/t18-/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	n/a	n/a	1.10	n/a	n/a	n/a	n/a
Praecis Pharmaceuticals Inc Curated by ChEMBL					Assay Description Agonist activity at human S1P1 receptor assessed as stimulation of [35S]GTPgammaS binding				Bioorg Med Chem Lett 19: 369-72 (2008) Article DOI: 10.1016/j.bmcl.2008.11.072 BindingDB Entry DOI: 10.7270/Q2H70FNK
					More data for this Ligand-Target Pair