Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sphingosine 1-phosphate receptor 1' and Ligand = 'BDBM50419999'   

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))	BDBM50419999 (CHEMBL2018323) Show SMILES CC(C)Oc1ccc(cc1Cl)-c1nc(no1)-c1cccc2c(CCC(O)=O)cn(C)c12 Show InChI InChI=1S/C23H22ClN3O4/c1-13(2)30-19-9-7-14(11-18(19)24)23-25-22(26-31-23)17-6-4-5-16-15(8-10-20(28)29)12-27(3)21(16)17/h4-7,9,11-13H,8,10H2,1-3H3,(H,28,29)	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	0.00631	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Agonist activity at S1P1 receptor by Tango assay				Bioorg Med Chem Lett 22: 2794-7 (2012) Article DOI: 10.1016/j.bmcl.2012.02.083 BindingDB Entry DOI: 10.7270/Q29G5P3R
					More data for this Ligand-Target Pair