Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sphingosine 1-phosphate receptor 1' and Ligand = 'BDBM50402737'   

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))	BDBM50402737 (CHEMBL2207778) Show SMILES CCCCN(C(=O)c1ccccc1F)c1nnc(s1)-c1ccc(CN2CC(C2)C(O)=O)cc1 Show InChI InChI=1S/C24H25FN4O3S/c1-2-3-12-29(22(30)19-6-4-5-7-20(19)25)24-27-26-21(33-24)17-10-8-16(9-11-17)13-28-14-18(15-28)23(31)32/h4-11,18H,2-3,12-15H2,1H3,(H,31,32)	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	0.300	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Agonist activity at S1P1 receptor by [35S]GTPgammaS binding assay				Bioorg Med Chem Lett 22: 7672-6 (2012) Article DOI: 10.1016/j.bmcl.2012.09.110 BindingDB Entry DOI: 10.7270/Q21837PP
					More data for this Ligand-Target Pair