Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sphingosine 1-phosphate receptor 1' and Ligand = 'BDBM50336947'   

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))	BDBM50336947 (1-(4-(6-Benzyl-2H-indazol-2-yl)-3-fluorobenzyl)aze...) Show SMILES OC(=O)C1CN(Cc2ccc(c(F)c2)-n2cc3ccc(Cc4ccccc4)cc3n2)C1 Show InChI InChI=1S/C25H22FN3O2/c26-22-11-19(13-28-14-21(15-28)25(30)31)7-9-24(22)29-16-20-8-6-18(12-23(20)27-29)10-17-4-2-1-3-5-17/h1-9,11-12,16,21H,10,13-15H2,(H,30,31)	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	1.81E+3	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Agonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization after 1 hr				ACS Med Chem Lett 2: 102-106 (2011) Article DOI: 10.1021/ml100228m BindingDB Entry DOI: 10.7270/Q2T72HR9
					More data for this Ligand-Target Pair