Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Sphingosine 1-phosphate receptor 1' and Ligand = 'BDBM50424952'   

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))	BDBM50424952 (CHEMBL2315814) Show SMILES CCCCCCCCOc1ccc(NC(=O)[C@@H](N)CC(O)=O)cc1 |r| Show InChI InChI=1S/C18H28N2O4/c1-2-3-4-5-6-7-12-24-15-10-8-14(9-11-15)20-18(23)16(19)13-17(21)22/h8-11,16H,2-7,12-13,19H2,1H3,(H,20,23)(H,21,22)/t16-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	14	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))	BDBM50424952 (CHEMBL2315814) Show SMILES CCCCCCCCOc1ccc(NC(=O)[C@@H](N)CC(O)=O)cc1 |r| Show InChI InChI=1S/C18H28N2O4/c1-2-3-4-5-6-7-12-24-15-10-8-14(9-11-15)20-18(23)16(19)13-17(21)22/h8-11,16H,2-7,12-13,19H2,1H3,(H,20,23)(H,21,22)/t16-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	164	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