Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Sphingosine 1-phosphate receptor 1' and Ligand = 'BDBM50424947'   

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))	BDBM50424947 (CHEMBL2315820) Show SMILES C[C@](N)(CC(O)=O)c1nc(c[nH]1)-c1ccc(OCc2ccc(cc2)-c2ccccc2)c(c1)C(F)(F)F |r| Show InChI InChI=1S/C27H24F3N3O3/c1-26(31,14-24(34)35)25-32-15-22(33-25)20-11-12-23(21(13-20)27(28,29)30)36-16-17-7-9-19(10-8-17)18-5-3-2-4-6-18/h2-13,15H,14,16,31H2,1H3,(H,32,33)(H,34,35)/t26-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	82	n/a	n/a	n/a	n/a	n/a	n/a
Praecis Pharmaceuticals Incorporated (Currently GlaxoSmithKline) Curated by ChEMBL					Assay Description Displacement of [33P]S1P from human S1P1 receptor expressed in HEK293T cells after 1 hr by liquid scintillation counting analysis				Bioorg Med Chem Lett 23: 472-5 (2012) Article DOI: 10.1016/j.bmcl.2012.11.053 BindingDB Entry DOI: 10.7270/Q2X63P82
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50424947 (CHEMBL2315820) Show SMILES C[C@](N)(CC(O)=O)c1nc(c[nH]1)-c1ccc(OCc2ccc(cc2)-c2ccccc2)c(c1)C(F)(F)F |r| Show InChI InChI=1S/C27H24F3N3O3/c1-26(31,14-24(34)35)25-32-15-22(33-25)20-11-12-23(21(13-20)27(28,29)30)36-16-17-7-9-19(10-8-17)18-5-3-2-4-6-18/h2-13,15H,14,16,31H2,1H3,(H,32,33)(H,34,35)/t26-/m0/s1	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	700	n/a	n/a	n/a	n/a
Praecis Pharmaceuticals Incorporated (Currently GlaxoSmithKline) Curated by ChEMBL					Assay Description Agonist activity at human S1P1 receptor expressed in HEK293T cells assessed as stimulation of [35S]GTPgammaS binding				Bioorg Med Chem Lett 23: 472-5 (2012) Article DOI: 10.1016/j.bmcl.2012.11.053 BindingDB Entry DOI: 10.7270/Q2X63P82
					More data for this Ligand-Target Pair