Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sphingosine 1-phosphate receptor 1' and Ligand = 'BDBM50158337'   

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))	BDBM50158337 (3-(2,4-dichlorophenyl)-5-(4-phenyl-5-(trifluoromet...) Show SMILES FC(F)(F)c1sc(cc1-c1ccccc1)-c1nc(no1)-c1ccc(Cl)cc1Cl Show InChI InChI=1S/C19H9Cl2F3N2OS/c20-11-6-7-12(14(21)8-11)17-25-18(27-26-17)15-9-13(10-4-2-1-3-5-10)16(28-15)19(22,23)24/h1-9H	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	78	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [33P]sphingosine 1 phosphate from human S1P1 receptor expressed in CHO cells				J Med Chem 47: 6662-5 (2004) Article DOI: 10.1021/jm0492507 BindingDB Entry DOI: 10.7270/Q2TQ611F
					More data for this Ligand-Target Pair